#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggu s GLN 2 N 0.00 3.33 -0.24 -0.52 0.74 -1.26 -5.09 119.66 116.62 3ggu s GLN 2 Ca 0.00 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.78 3ggu s GLN 2 Cb 0.00 -2.67 0.04 0.00 1.10 0.00 0.00 33.01 31.49 3ggu s GLN 2 CO 0.00 0.29 -0.13 0.42 -0.55 0.00 0.00 175.29 175.32 3ggu s ILE 3 N 0.18 2.27 0.89 -2.34 1.01 -1.26 -5.12 121.20 116.83 3ggu s ILE 3 Ca -0.06 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.13 3ggu s ILE 3 Cb -0.15 -2.20 0.13 0.00 0.01 0.00 0.00 42.46 40.25 3ggu s ILE 3 CO 0.04 0.17 1.16 0.42 0.00 0.00 0.00 174.94 176.73 3ggu s THR 4 N 1.20 1.99 -0.15 2.92 -4.23 -1.26 -5.01 115.64 111.10 3ggu s THR 4 Ca -0.03 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.65 3ggu s THR 4 Cb -0.17 -2.82 0.33 0.00 1.34 0.00 0.00 72.50 71.17 3ggu s THR 4 CO -0.07 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.39 3ggu n LEU 5 N -3.66 2.68 0.19 4.79 4.77 -1.26 -4.59 117.00 119.91 3ggu n LEU 5 Ca 0.07 -3.01 0.05 0.00 -0.03 0.00 0.00 56.01 53.10 3ggu n LEU 5 Cb 0.60 -0.43 0.52 0.00 -2.33 0.00 0.00 43.42 41.77 3ggu n LEU 5 CO 0.57 0.69 0.99 -0.50 -1.33 0.00 0.00 177.39 177.81 3ggu h TRP 6 N 0.42 0.11 -2.61 -1.77 4.06 -2.07 -3.43 115.95 110.67 3ggu h TRP 6 Ca 0.00 -0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.44 3ggu h TRP 6 Cb 1.07 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.06 3ggu h TRP 6 CO 0.11 0.17 -0.69 -0.65 -3.56 0.00 0.00 178.44 173.83 3ggu s GLN 7 N -4.91 1.55 0.21 0.49 -1.52 -1.26 -5.10 119.66 109.12 3ggu s GLN 7 Ca -0.05 -1.77 -0.32 0.00 -1.95 0.00 0.00 55.36 51.27 3ggu s GLN 7 Cb 0.16 -1.21 -0.13 0.00 -0.22 0.00 0.00 33.01 31.61 3ggu s GLN 7 CO 0.70 0.07 1.54 0.54 -0.25 0.00 0.00 175.29 177.89 3ggu n ARG 8 N -0.57 2.26 -2.03 2.91 1.74 -1.26 -4.85 116.66 114.86 3ggu n ARG 8 Ca -0.06 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 3ggu n ARG 8 Cb 0.63 -2.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3ggu n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ggu n PRO 9 N 2.84 2.98 -3.12 5.56 -0.04 -1.26 -4.96 135.00 137.00 3ggu n PRO 9 Ca 0.14 -2.85 -0.38 0.00 -0.04 0.00 0.00 63.50 60.37 3ggu n PRO 9 Cb 0.31 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 3ggu n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ggu s ILE 10 N 3.50 4.55 0.08 0.52 -1.09 -1.26 -0.93 121.20 126.56 3ggu s ILE 10 Ca 0.49 1.43 0.01 0.00 -2.23 0.00 0.00 60.65 60.35 3ggu s ILE 10 Cb 0.11 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3ggu s ILE 10 CO -0.03 0.46 -0.06 0.68 -1.23 0.00 0.00 174.94 174.76 3ggu s VAL 11 N -1.22 0.59 -0.09 2.92 -7.23 0.29 -4.96 120.40 110.70 3ggu s VAL 11 Ca 0.35 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.62 3ggu s VAL 11 Cb -0.20 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3ggu s VAL 11 CO 0.23 -0.80 0.35 -0.89 -0.31 0.00 0.00 175.10 173.67 3ggu s THR 12 N -3.26 5.21 0.14 5.32 2.01 -1.26 -1.31 115.64 122.49 3ggu s THR 12 Ca 0.07 0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.84 3ggu s THR 12 Cb 0.03 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3ggu s THR 12 CO -0.05 0.46 -0.17 0.68 -0.69 0.00 0.00 174.62 174.85 3ggu s VAL 13 N -0.17 1.66 -0.19 3.82 -7.23 0.37 -4.51 120.40 114.14 3ggu s VAL 13 Ca 0.21 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3ggu s VAL 13 Cb -0.15 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.12 3ggu s VAL 13 CO 0.08 -0.30 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.65 3ggu s LYS 14 N -2.60 2.99 -0.08 4.82 2.20 -0.70 -1.13 119.74 125.23 3ggu s LYS 14 Ca 0.12 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 3ggu s LYS 14 Cb -0.06 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 3ggu s LYS 14 CO 0.05 -0.23 -0.06 0.42 -0.36 0.00 0.00 175.35 175.17 3ggu s ILE 15 N 1.30 0.79 -1.35 5.43 1.01 0.25 -1.50 121.20 127.13 3ggu s ILE 15 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 3ggu s ILE 15 Cb -0.14 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.53 3ggu s ILE 15 CO -0.11 0.31 0.41 -0.62 0.00 0.00 0.00 174.94 174.93 3ggu n GLU 16 N 4.56 -0.93 -0.94 2.79 1.02 -1.25 -1.28 120.64 124.60 3ggu n GLU 16 Ca -0.16 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ggu n GLU 16 Cb 0.51 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 3ggu n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ggu n GLY 17 N -2.23 0.90 3.57 0.62 0.00 -1.26 -5.00 105.19 101.79 3ggu n GLY 17 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3ggu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggu s GLN 18 N -0.11 2.86 -0.20 1.61 -0.21 -0.41 -5.10 119.66 118.10 3ggu s GLN 18 Ca 0.00 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 54.74 3ggu s GLN 18 Cb 0.00 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 3ggu s GLN 18 CO 0.00 0.61 0.12 -0.51 -2.12 0.00 0.00 175.29 173.39 3ggu s LEU 19 N -0.67 4.15 0.20 2.90 1.43 -1.26 -0.58 118.68 124.85 3ggu s LEU 19 Ca 0.10 0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3ggu s LEU 19 Cb -0.11 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3ggu s LEU 19 CO 0.02 0.18 0.22 -0.54 0.23 0.00 0.00 176.35 176.46 3ggu s LYS 20 N 0.36 1.26 0.14 1.70 -0.14 -0.29 -5.01 119.74 117.76 3ggu s LYS 20 Ca 0.07 -1.47 0.11 0.00 -1.36 0.00 0.00 55.97 53.32 3ggu s LYS 20 Cb -0.11 0.33 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 3ggu s LYS 20 CO -0.02 -0.44 -0.26 -1.21 -0.76 0.00 0.00 175.35 172.66 3ggu s GLU 21 N -4.10 1.40 0.11 1.68 2.02 -1.26 -0.47 118.70 118.07 3ggu s GLU 21 Ca 0.31 -1.37 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 3ggu s GLU 21 Cb 0.05 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.48 3ggu s GLU 21 CO 0.09 0.42 0.40 0.00 0.02 0.00 0.00 175.26 176.19 3ggu s ALA 22 N -1.21 -0.92 -0.21 5.21 0.00 -0.43 -4.60 121.76 119.60 3ggu s ALA 22 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 3ggu s ALA 22 Cb -0.09 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3ggu s ALA 22 CO 0.07 -0.60 0.34 -1.17 0.00 0.00 0.00 175.76 174.40 3ggu s LEU 23 N -2.64 4.15 -0.28 0.00 2.96 0.03 -0.54 118.68 122.35 3ggu s LEU 23 Ca 0.01 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 3ggu s LEU 23 Cb 0.01 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3ggu s LEU 23 CO -0.10 -0.04 1.76 -0.76 -1.32 0.00 0.00 176.35 175.90 3ggu s LEU 24 N 1.21 3.64 -0.34 -0.68 1.43 -0.11 -0.09 118.68 123.75 3ggu s LEU 24 Ca 0.16 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 3ggu s LEU 24 Cb -0.14 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.65 3ggu s LEU 24 CO 0.07 -1.56 0.10 -0.62 0.23 0.00 0.00 176.35 174.56 3ggu s ASP 25 N 5.56 4.26 0.40 2.29 -1.08 -0.41 -4.78 116.67 122.90 3ggu s ASP 25 Ca 0.78 -1.92 0.29 0.00 -0.52 0.00 0.00 52.55 51.18 3ggu s ASP 25 Cb -0.24 -1.15 1.30 0.00 -1.46 0.00 0.00 42.92 41.37 3ggu s ASP 25 CO 0.33 -0.39 1.86 0.71 0.52 0.00 0.00 175.17 178.20 3ggu h THR 26 N 6.41 0.00 -0.01 1.71 1.35 -1.93 -1.69 112.91 118.75 3ggu h THR 26 Ca -0.09 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3ggu h THR 26 Cb 1.01 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3ggu h THR 26 CO 0.49 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.25 3ggu n GLY 27 N -0.34 -0.66 3.61 5.82 0.00 -1.26 -4.81 105.19 107.55 3ggu n GLY 27 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3ggu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggu s ALA 28 N -2.35 3.53 0.22 4.61 0.00 -0.64 -4.97 121.76 122.17 3ggu s ALA 28 Ca 0.31 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3ggu s ALA 28 Cb 0.20 -2.36 0.20 0.00 0.00 0.00 0.00 23.12 21.16 3ggu s ALA 28 CO 0.45 -0.37 1.64 -0.44 0.00 0.00 0.00 175.76 177.04 3ggu h ASP 29 N 7.93 0.77 -2.87 0.00 3.32 -1.87 -0.06 116.42 123.64 3ggu h ASP 29 Ca -0.37 -0.27 -0.64 0.00 0.02 0.00 0.00 57.03 55.77 3ggu h ASP 29 Cb 1.18 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 3ggu h ASP 29 CO 0.60 0.97 -0.80 -1.81 -1.72 0.00 0.00 179.24 176.48 3ggu s ASP 30 N -6.75 3.50 -0.08 6.45 1.01 -1.26 -3.28 116.67 116.26 3ggu s ASP 30 Ca -0.09 -0.92 -0.20 0.00 0.71 0.00 0.00 52.55 52.05 3ggu s ASP 30 Cb 0.13 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 3ggu s ASP 30 CO 0.83 0.09 0.56 -0.89 0.21 0.00 0.00 175.17 175.97 3ggu s THR 31 N -1.94 5.09 -0.04 -1.27 2.01 -1.26 -3.69 115.64 114.54 3ggu s THR 31 Ca 0.24 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.38 3ggu s THR 31 Cb -0.07 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3ggu s THR 31 CO 0.12 0.33 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.66 3ggu s VAL 32 N 0.45 0.42 0.04 3.82 1.01 0.11 -0.92 120.40 125.33 3ggu s VAL 32 Ca 0.30 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3ggu s VAL 32 Cb -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 3ggu s VAL 32 CO 0.14 0.19 -0.16 -0.36 0.00 0.00 0.00 175.10 174.92 3ggu s PHE 33 N 0.86 1.36 -0.17 5.22 0.08 -0.18 -0.34 117.98 124.82 3ggu s PHE 33 Ca -0.11 -0.36 -0.25 0.00 0.12 0.00 0.00 56.93 56.33 3ggu s PHE 33 Cb -0.14 -0.81 -0.22 0.00 -0.57 0.00 0.00 43.02 41.28 3ggu s PHE 33 CO -0.00 0.05 0.51 1.49 -0.10 0.00 0.00 175.22 177.17 3ggu h GLU 34 N 4.89 0.00 -3.52 0.44 4.81 -1.83 -1.85 114.58 117.52 3ggu h GLU 34 Ca -0.39 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.21 3ggu h GLU 34 Cb 1.18 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.15 3ggu h GLU 34 CO 0.44 0.97 -0.68 -1.21 -0.73 0.00 0.00 179.01 177.79 3ggu s GLU 35 N -2.27 1.61 -0.18 1.92 2.02 -1.26 -4.36 118.70 116.19 3ggu s GLU 35 Ca -0.23 -2.22 -0.07 0.00 0.02 0.00 0.00 54.97 52.48 3ggu s GLU 35 Cb 0.01 -2.94 0.08 0.00 0.10 0.00 0.00 34.13 31.38 3ggu s GLU 35 CO 0.63 -1.08 0.38 -1.17 0.02 0.00 0.00 175.26 174.03 3ggu s LEU 36 N 0.23 -0.48 -0.26 1.80 2.96 -1.26 -5.10 118.68 116.57 3ggu s LEU 36 Ca 0.16 0.88 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 3ggu s LEU 36 Cb -0.24 1.18 -0.02 0.00 0.50 0.00 0.00 46.19 47.61 3ggu s LEU 36 CO -0.03 -0.23 0.62 -0.89 -1.32 0.00 0.00 176.35 174.50 3ggu s THR 37 N 2.41 4.99 0.13 3.68 2.01 -1.26 -4.99 115.64 122.61 3ggu s THR 37 Ca -0.02 1.10 0.11 0.00 0.31 0.00 0.00 61.69 63.19 3ggu s THR 37 Cb -0.12 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3ggu s THR 37 CO -0.12 0.03 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.83 3ggu s LEU 38 N 2.49 2.37 0.20 4.42 1.43 -1.26 -4.93 118.68 123.40 3ggu s LEU 38 Ca 0.26 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3ggu s LEU 38 Cb -0.15 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3ggu s LEU 38 CO 0.09 0.18 0.37 -0.94 0.23 0.00 0.00 176.35 176.28 3ggu s SER 39 N -2.05 6.36 0.00 2.29 1.04 -1.26 -5.02 113.70 115.06 3ggu s SER 39 Ca 0.15 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3ggu s SER 39 Cb -0.10 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3ggu s SER 39 CO 0.06 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.85 3ggu n GLY 40 N -0.81 -1.16 3.91 7.32 0.00 -1.26 -4.98 105.19 108.22 3ggu n GLY 40 Ca -0.06 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 3ggu n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggu s ARG 41 N 0.00 3.56 0.07 1.61 0.52 -1.26 -5.08 118.95 118.37 3ggu s ARG 41 Ca 0.00 0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.15 3ggu s ARG 41 Cb 0.00 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 33.00 3ggu s ARG 41 CO 0.00 -0.05 0.26 1.67 0.02 0.00 0.00 175.30 177.21 3ggu s TRP 42 N -2.52 -0.01 -0.02 -0.53 1.48 -1.26 -4.59 118.94 111.49 3ggu s TRP 42 Ca 0.45 -0.28 0.05 0.00 -1.06 0.00 0.00 56.10 55.27 3ggu s TRP 42 Cb -0.10 0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.23 3ggu s TRP 42 CO 0.40 -0.54 -0.17 0.15 -4.06 0.00 0.00 176.95 172.72 3ggu s LYS 43 N -3.23 2.30 0.34 3.25 1.02 -0.75 -4.89 119.74 117.79 3ggu s LYS 43 Ca -0.00 -0.82 -0.28 0.00 0.02 0.00 0.00 55.97 54.88 3ggu s LYS 43 Cb 0.02 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 3ggu s LYS 43 CO -0.08 0.59 1.31 -2.14 -0.92 0.00 0.00 175.35 174.12 3ggu s PRO 44 N -0.94 4.30 -0.01 -1.68 0.02 -1.26 -0.03 135.00 135.40 3ggu s PRO 44 Ca 0.12 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 3ggu s PRO 44 Cb -0.10 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3ggu s PRO 44 CO 0.02 -0.24 0.22 0.50 -0.33 0.00 0.00 177.00 177.18 3ggu s ARG 45 N -1.86 0.56 -0.13 5.54 3.52 -0.18 -4.87 118.95 121.53 3ggu s ARG 45 Ca 0.50 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3ggu s ARG 45 Cb -0.40 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.24 3ggu s ARG 45 CO 0.53 -0.14 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.16 3ggu s LEU 46 N -1.31 2.25 0.14 -0.88 1.43 -1.26 0.62 118.68 119.68 3ggu s LEU 46 Ca -0.14 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3ggu s LEU 46 Cb -0.06 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3ggu s LEU 46 CO 0.03 0.11 -0.12 0.27 0.23 0.00 0.00 176.35 176.87 3ggu s ILE 47 N 0.63 3.14 -0.08 -0.59 -4.36 -0.48 -4.97 121.20 114.49 3ggu s ILE 47 Ca -0.10 -1.50 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 3ggu s ILE 47 Cb -0.16 -2.49 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 3ggu s ILE 47 CO 0.02 0.02 -0.21 -0.83 0.24 0.00 0.00 174.94 174.18 3ggu s GLY 48 N -2.44 1.38 0.00 6.27 0.00 -1.26 -1.30 107.32 109.97 3ggu s GLY 48 Ca 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.95 3ggu s GLY 48 CO 0.13 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.34 3ggu n GLY 49 N 3.11 6.09 3.72 0.20 0.00 -0.26 -5.01 105.19 113.05 3ggu n GLY 49 Ca -0.18 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3ggu n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ggu s ILE 50 N -0.31 2.91 0.00 -0.61 1.01 -1.26 -3.13 121.20 119.82 3ggu s ILE 50 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.33 3ggu s ILE 50 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3ggu s ILE 50 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3ggu n GLY 51 N 3.25 3.00 0.00 6.18 0.00 -1.26 -4.95 105.19 111.41 3ggu n GLY 51 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ggu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggu n GLY 52 N 0.00 0.32 3.39 -0.02 0.00 -1.18 -5.13 105.19 102.57 3ggu n GLY 52 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 3ggu n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ggu s PHE 53 N -3.73 2.27 0.03 1.61 -0.71 -1.26 -1.10 117.98 115.10 3ggu s PHE 53 Ca 0.00 -0.38 0.06 0.00 -1.04 0.00 0.00 56.93 55.57 3ggu s PHE 53 Cb 0.00 -1.20 -0.02 0.00 -1.21 0.00 0.00 43.02 40.59 3ggu s PHE 53 CO 0.00 0.38 -0.17 0.14 -1.34 0.00 0.00 175.22 174.23 3ggu s VAL 54 N -1.26 1.38 -0.04 -2.49 -7.23 -0.42 -5.00 120.40 105.34 3ggu s VAL 54 Ca 0.16 -1.05 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 3ggu s VAL 54 Cb -0.09 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 3ggu s VAL 54 CO 0.07 0.14 0.83 -0.13 -0.31 0.00 0.00 175.10 175.69 3ggu s ARG 55 N -1.06 4.49 0.23 4.82 0.52 -1.26 -1.38 118.95 125.31 3ggu s ARG 55 Ca 0.05 1.12 0.05 0.00 -0.52 0.00 0.00 55.73 56.43 3ggu s ARG 55 Cb -0.08 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 3ggu s ARG 55 CO 0.01 0.00 -0.05 0.14 0.02 0.00 0.00 175.30 175.43 3ggu s VAL 56 N 0.93 1.32 -0.21 3.52 -7.23 0.20 -4.43 120.40 114.50 3ggu s VAL 56 Ca 0.44 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 3ggu s VAL 56 Cb -0.19 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 3ggu s VAL 56 CO 0.22 -0.40 0.14 -0.13 -0.31 0.00 0.00 175.10 174.62 3ggu s ARG 57 N -3.78 4.16 -0.29 4.82 0.52 0.64 -1.02 118.95 123.99 3ggu s ARG 57 Ca 0.27 -0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 55.06 3ggu s ARG 57 Cb 0.04 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 3ggu s ARG 57 CO 0.09 0.24 0.51 -1.14 0.02 0.00 0.00 175.30 175.01 3ggu s GLN 58 N 0.54 3.91 -0.14 3.54 0.74 0.95 -0.86 119.66 128.35 3ggu s GLN 58 Ca 0.08 0.14 -0.03 0.00 0.05 0.00 0.00 55.36 55.60 3ggu s GLN 58 Cb -0.12 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 3ggu s GLN 58 CO -0.00 -0.45 -0.03 0.71 -0.55 0.00 0.00 175.29 174.96 3ggu s TYR 59 N 2.34 3.04 0.25 1.67 2.02 -0.30 -1.81 117.35 124.56 3ggu s TYR 59 Ca 0.20 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 3ggu s TYR 59 Cb -0.15 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3ggu s TYR 59 CO 0.11 0.04 0.33 -0.51 -1.57 0.00 0.00 175.55 173.95 3ggu s ASP 60 N 0.18 6.12 -1.37 2.29 1.01 -1.26 -1.26 116.67 122.38 3ggu s ASP 60 Ca -0.01 -0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 3ggu s ASP 60 Cb -0.14 -1.71 -0.00 0.00 1.01 0.00 0.00 42.92 42.08 3ggu s ASP 60 CO 0.03 -0.09 0.49 0.00 0.21 0.00 0.00 175.17 175.81 3ggu n GLN 61 N -1.38 -3.38 -3.27 8.23 6.02 -1.21 -4.91 117.38 117.48 3ggu n GLN 61 Ca -0.08 0.44 -0.38 0.00 -0.01 0.00 0.00 57.00 56.97 3ggu n GLN 61 Cb 0.57 -4.59 -0.06 0.00 1.02 0.00 0.00 30.24 27.18 3ggu n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ggu s VAL 62 N -3.87 5.15 0.13 5.09 1.01 0.84 -4.75 120.40 123.99 3ggu s VAL 62 Ca 0.04 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3ggu s VAL 62 Cb -0.01 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3ggu s VAL 62 CO 0.87 0.26 1.27 -2.16 0.00 0.00 0.00 175.10 175.35 3ggu s PRO 63 N 1.02 4.41 -0.06 2.72 0.04 -1.26 -0.37 135.00 141.49 3ggu s PRO 63 Ca 0.26 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.25 3ggu s PRO 63 Cb -0.15 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.14 3ggu s PRO 63 CO 0.10 -0.26 -0.07 0.42 0.04 0.00 0.00 177.00 177.24 3ggu s ILE 64 N 0.60 0.74 -0.24 0.56 1.01 0.31 -3.95 121.20 120.23 3ggu s ILE 64 Ca 0.58 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.93 3ggu s ILE 64 Cb -0.34 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3ggu s ILE 64 CO 0.33 0.28 0.09 -1.61 0.00 0.00 0.00 174.94 174.03 3ggu s GLU 65 N 0.99 3.81 -0.26 2.79 2.02 -0.56 0.30 118.70 127.78 3ggu s GLU 65 Ca -0.10 -0.41 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 3ggu s GLU 65 Cb -0.14 -3.37 0.09 0.00 0.10 0.00 0.00 34.13 30.81 3ggu s GLU 65 CO 0.00 -0.06 0.60 -1.50 0.02 0.00 0.00 175.26 174.32 3ggu s ILE 66 N 1.31 -0.33 -1.10 -1.63 2.07 0.45 -1.72 121.20 120.25 3ggu s ILE 66 Ca 0.05 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.29 3ggu s ILE 66 Cb -0.15 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.55 3ggu s ILE 66 CO 0.04 0.01 0.94 0.00 -1.91 0.00 0.00 174.94 174.03 3ggu n GLY 68 N -1.47 0.81 3.10 0.00 0.00 -1.26 -4.98 105.19 101.39 3ggu n GLY 68 Ca -0.12 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 3ggu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ggu s HIS 69 N -1.93 1.08 -0.18 1.61 3.76 -0.13 -5.13 115.29 114.38 3ggu s HIS 69 Ca 0.00 -0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 3ggu s HIS 69 Cb 0.00 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 3ggu s HIS 69 CO 0.00 0.01 0.03 0.15 -0.85 0.00 0.00 174.74 174.08 3ggu s LYS 70 N -0.88 3.86 0.17 1.40 1.02 -1.26 -0.41 119.74 123.63 3ggu s LYS 70 Ca 0.01 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3ggu s LYS 70 Cb -0.07 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3ggu s LYS 70 CO 0.01 0.24 -0.04 0.14 -0.92 0.00 0.00 175.35 174.78 3ggu s VAL 71 N 0.41 0.91 -0.08 3.17 -7.23 0.15 -4.98 120.40 112.74 3ggu s VAL 71 Ca 0.01 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3ggu s VAL 71 Cb -0.13 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3ggu s VAL 71 CO 0.01 -0.59 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.50 3ggu s ILE 72 N -3.50 0.95 0.29 -0.62 -1.09 -1.26 0.11 121.20 116.08 3ggu s ILE 72 Ca 0.21 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.21 3ggu s ILE 72 Cb 0.05 -0.94 0.04 0.00 -1.58 0.00 0.00 42.46 40.03 3ggu s ILE 72 CO 0.03 0.33 0.57 -0.67 -1.23 0.00 0.00 174.94 173.97 3ggu n ASP 73 N 4.38 -1.65 -4.71 3.58 -0.08 0.49 -4.82 116.55 113.74 3ggu n ASP 73 Ca -0.18 -2.16 -0.40 0.00 -1.51 0.00 0.00 54.79 50.54 3ggu n ASP 73 Cb 0.51 2.75 -0.04 0.00 2.34 0.00 0.00 41.12 46.68 3ggu n ASP 73 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3ggu s THR 74 N -2.36 5.00 -0.09 5.18 2.01 -1.26 -0.11 115.64 124.01 3ggu s THR 74 Ca 0.12 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.76 3ggu s THR 74 Cb -0.04 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.36 3ggu s THR 74 CO 0.09 0.23 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.33 3ggu s VAL 75 N 0.86 1.89 -0.12 3.82 1.01 -0.39 -4.20 120.40 123.28 3ggu s VAL 75 Ca 0.41 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3ggu s VAL 75 Cb -0.19 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3ggu s VAL 75 CO 0.21 0.52 0.26 -0.76 0.00 0.00 0.00 175.10 175.32 3ggu s LEU 76 N 0.29 4.33 -0.16 3.92 1.43 -0.10 -1.15 118.68 127.25 3ggu s LEU 76 Ca -0.15 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3ggu s LEU 76 Cb -0.17 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.76 3ggu s LEU 76 CO 0.07 0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 176.02 3ggu s VAL 77 N -0.29 2.34 0.00 -1.59 1.01 -0.04 -1.01 120.40 120.83 3ggu s VAL 77 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3ggu s VAL 77 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3ggu s VAL 77 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ggu n GLY 78 N 4.28 -0.01 3.66 4.51 0.00 -0.69 -0.26 105.19 116.67 3ggu n GLY 78 Ca -0.20 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 3ggu n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggu n PRO 79 N -0.14 2.71 -3.77 1.61 -0.04 -1.26 -3.60 135.00 130.51 3ggu n PRO 79 Ca 0.00 0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 64.31 3ggu n PRO 79 Cb 0.00 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.38 3ggu n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ggu s THR 80 N 4.69 0.01 0.19 0.52 -1.32 -1.26 -4.93 115.64 113.53 3ggu s THR 80 Ca 0.91 -0.08 0.31 0.00 -1.21 0.00 0.00 61.69 61.62 3ggu s THR 80 Cb -0.47 -0.47 0.35 0.00 -1.51 0.00 0.00 72.50 70.40 3ggu s THR 80 CO 0.43 -0.04 1.99 -0.65 -2.21 0.00 0.00 174.62 174.13 3ggu h PRO 81 N 5.37 0.00 -3.56 7.08 0.11 -2.00 -3.43 132.00 135.56 3ggu h PRO 81 Ca -0.27 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.57 3ggu h PRO 81 Cb 1.19 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 3ggu h PRO 81 CO 0.32 0.07 -0.72 0.99 -0.21 0.00 0.00 178.00 178.45 3ggu s THR 82 N -3.76 -0.04 0.30 -1.15 2.01 -1.26 -5.10 115.64 106.63 3ggu s THR 82 Ca 0.00 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 3ggu s THR 82 Cb 0.10 -0.07 -0.10 0.00 0.01 0.00 0.00 72.50 72.44 3ggu s THR 82 CO 0.56 0.06 1.23 0.20 -0.69 0.00 0.00 174.62 175.99 3ggu s ASN 83 N 0.79 6.97 -0.02 3.53 0.01 -1.26 -4.90 114.94 120.05 3ggu s ASN 83 Ca -0.07 2.51 0.02 0.00 -0.71 0.00 0.00 52.86 54.62 3ggu s ASN 83 Cb -0.09 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.93 3ggu s ASN 83 CO -0.02 -0.39 -0.07 0.68 -1.51 0.00 0.00 177.10 175.78 3ggu s VAL 84 N -1.03 0.66 -0.28 1.60 -7.23 0.53 -0.79 120.40 113.86 3ggu s VAL 84 Ca 0.48 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 3ggu s VAL 84 Cb -0.37 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 3ggu s VAL 84 CO 0.47 0.22 0.36 -0.63 -0.31 0.00 0.00 175.10 175.21 3ggu s ILE 85 N 0.25 5.18 0.73 -0.62 -1.09 0.87 -0.71 121.20 125.81 3ggu s ILE 85 Ca -0.03 0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 3ggu s ILE 85 Cb -0.08 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 37.24 3ggu s ILE 85 CO 0.00 0.13 1.00 0.61 -1.23 0.00 0.00 174.94 175.46 3ggu n GLY 86 N 4.74 0.61 0.25 6.18 0.00 -1.24 -1.29 105.19 114.44 3ggu n GLY 86 Ca -0.09 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 43.99 3ggu n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ggu h ARG 87 N 0.00 0.00 -0.94 1.61 3.08 -1.05 -1.62 114.38 115.46 3ggu h ARG 87 Ca -0.33 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.80 3ggu h ARG 87 Cb 1.22 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 3ggu h ARG 87 CO 0.35 0.08 0.59 -2.95 -1.07 0.00 0.00 179.97 176.97 3ggu h ASN 88 N 0.00 0.92 0.20 7.04 -1.07 -1.81 -0.60 115.58 120.26 3ggu h ASN 88 Ca -0.00 0.02 -0.30 0.00 0.07 0.00 0.00 56.30 56.09 3ggu h ASN 88 Cb 0.15 -0.17 0.03 0.00 -2.07 0.00 0.00 38.32 36.25 3ggu h ASN 88 CO 0.01 0.56 -1.37 0.58 0.07 0.00 0.00 177.43 177.29 3ggu h VAL 89 N 1.04 1.25 -0.85 6.14 2.07 -1.73 -3.35 116.25 120.83 3ggu h VAL 89 Ca 0.42 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 3ggu h VAL 89 Cb 0.25 3.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 3ggu h VAL 89 CO -0.20 0.79 0.43 0.24 0.02 0.00 0.00 177.57 178.84 3ggu h MET 90 N -0.03 1.21 -0.79 1.57 2.86 -0.88 -0.40 114.93 118.47 3ggu h MET 90 Ca -0.25 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3ggu h MET 90 Cb 1.99 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 33.39 3ggu h MET 90 CO 0.21 0.91 0.53 1.79 1.06 0.00 0.00 176.91 181.41 3ggu h THR 91 N 1.20 1.18 -0.14 2.22 1.35 -1.28 0.53 112.91 117.97 3ggu h THR 91 Ca 0.29 -0.36 -0.09 0.00 -0.55 0.00 0.00 66.41 65.71 3ggu h THR 91 Cb 0.09 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 3ggu h THR 91 CO -0.04 0.19 -0.30 1.56 -0.25 0.00 0.00 175.52 176.68 3ggu h GLN 92 N 1.05 0.26 0.00 4.72 4.20 -1.47 -1.90 115.11 121.97 3ggu h GLN 92 Ca 0.30 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3ggu h GLN 92 Cb -0.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3ggu h GLN 92 CO -0.07 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 3ggu n LEU 93 N -4.11 0.00 -0.86 1.46 4.77 0.06 -4.83 117.00 113.49 3ggu n LEU 93 Ca -0.01 0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 56.31 3ggu n LEU 93 Cb 0.40 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3ggu n LEU 93 CO 0.41 -0.17 -0.10 0.61 -1.33 0.00 0.00 177.39 176.80 3ggu n GLY 94 N 0.30 0.68 3.71 -0.72 0.00 -0.70 -4.98 105.19 103.49 3ggu n GLY 94 Ca 0.05 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3ggu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggu s THR 96 N 0.89 1.22 -0.28 0.00 -4.23 -1.26 -4.63 115.64 107.34 3ggu s THR 96 Ca 0.53 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.89 3ggu s THR 96 Cb -0.24 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3ggu s THR 96 CO 0.29 -0.67 0.50 -0.76 -0.54 0.00 0.00 174.62 173.45 3ggu s LEU 97 N -3.00 4.12 -0.05 4.79 1.43 -1.26 -5.07 118.68 119.64 3ggu s LEU 97 Ca 0.15 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 3ggu s LEU 97 Cb 0.01 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 3ggu s LEU 97 CO 0.01 -0.33 -0.25 0.20 0.23 0.00 0.00 176.35 176.22 3ggu s ASN 98 N 1.61 3.04 0.00 2.29 -0.87 -1.26 -5.30 114.94 114.46 3ggu s ASN 98 Ca 0.20 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 50.99 3ggu s ASN 98 Cb -0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 41.25 40.30 3ggu s ASN 98 CO 0.10 0.25 0.00 2.22 -2.57 0.00 0.00 177.10 177.11