#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aog s GLN 2 N 0.00 3.49 -0.27 0.54 0.74 -1.26 -5.09 119.66 117.81 2aog s GLN 2 Ca 0.00 -0.57 -0.06 0.00 0.05 0.00 0.00 55.36 54.78 2aog s GLN 2 Cb 0.00 -3.13 -0.00 0.00 1.10 0.00 0.00 33.01 30.98 2aog s GLN 2 CO 0.00 -0.18 0.05 0.42 -0.55 0.00 0.00 175.29 175.03 2aog s ILE 3 N 1.49 3.90 0.83 -2.34 1.01 -1.26 -5.10 121.20 119.73 2aog s ILE 3 Ca 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 2aog s ILE 3 Cb -0.15 -2.92 0.09 0.00 0.01 0.00 0.00 42.46 39.49 2aog s ILE 3 CO -0.00 0.21 1.18 0.42 0.00 0.00 0.00 174.94 176.74 2aog s THR 4 N 1.52 2.00 -0.15 2.92 -4.23 -1.26 -5.02 115.64 111.42 2aog s THR 4 Ca 0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2aog s THR 4 Cb -0.16 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.05 2aog s THR 4 CO 0.01 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.47 2aog n LEU 5 N -3.38 2.62 0.22 4.79 4.77 -1.26 -4.60 117.00 120.15 2aog n LEU 5 Ca 0.08 -3.22 0.05 0.00 -0.03 0.00 0.00 56.01 52.89 2aog n LEU 5 Cb 0.61 -0.46 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 2aog n LEU 5 CO 0.57 0.83 0.86 -0.50 -1.33 0.00 0.00 177.39 177.82 2aog h TRP 6 N 0.37 0.00 -2.81 -1.77 4.06 -2.06 -3.44 115.95 110.31 2aog h TRP 6 Ca 0.01 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.49 2aog h TRP 6 Cb 1.07 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.09 2aog h TRP 6 CO 0.20 0.22 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.08 2aog s LYS 7 N -4.50 1.60 0.28 0.49 -2.85 -1.26 -5.12 119.74 108.38 2aog s LYS 7 Ca -0.04 -1.86 -0.30 0.00 -1.00 0.00 0.00 55.97 52.77 2aog s LYS 7 Cb 0.15 -0.93 -0.12 0.00 -2.06 0.00 0.00 37.83 34.87 2aog s LYS 7 CO 0.70 -0.12 1.62 0.54 0.10 0.00 0.00 175.35 178.19 2aog n ARG 8 N -0.64 2.72 -2.64 1.78 1.74 -1.26 -4.87 116.66 113.49 2aog n ARG 8 Ca -0.03 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.59 2aog n ARG 8 Cb 0.65 -2.76 -0.01 0.00 -1.02 0.00 0.00 32.46 29.32 2aog n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2aog s PRO 9 N -0.21 3.91 -0.05 5.56 0.04 -1.26 -4.96 135.00 138.03 2aog s PRO 9 Ca 0.66 -1.90 -0.10 0.00 0.04 0.00 0.00 61.00 59.70 2aog s PRO 9 Cb -0.50 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.58 2aog s PRO 9 CO 0.46 -2.16 0.27 -0.51 0.04 0.00 0.00 177.00 175.09 2aog s LEU 10 N 3.95 4.42 0.13 -3.56 1.43 -1.26 -1.00 118.68 122.78 2aog s LEU 10 Ca 0.50 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2aog s LEU 10 Cb 0.02 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2aog s LEU 10 CO 0.03 0.35 -0.04 0.68 0.23 0.00 0.00 176.35 177.60 2aog s VAL 11 N -1.09 0.67 0.05 -1.59 -7.23 -0.25 -4.95 120.40 106.00 2aog s VAL 11 Ca 0.20 -1.95 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 2aog s VAL 11 Cb -0.14 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 2aog s VAL 11 CO 0.10 -0.72 0.63 -0.89 -0.31 0.00 0.00 175.10 173.90 2aog s THR 12 N -3.65 4.77 0.23 5.32 2.01 -1.26 -0.90 115.64 122.16 2aog s THR 12 Ca 0.16 1.33 0.11 0.00 0.31 0.00 0.00 61.69 63.61 2aog s THR 12 Cb 0.06 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2aog s THR 12 CO -0.01 0.47 -0.20 0.27 -0.69 0.00 0.00 174.62 174.46 2aog s ILE 13 N -0.60 2.24 -0.13 1.82 -4.36 0.42 -0.98 121.20 119.61 2aog s ILE 13 Ca 0.32 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2aog s ILE 13 Cb -0.19 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.37 2aog s ILE 13 CO 0.20 -0.36 -0.18 -0.75 0.24 0.00 0.00 174.94 174.09 2aog s LYS 14 N -3.25 2.56 -0.10 0.37 2.20 -0.17 -1.45 119.74 119.91 2aog s LYS 14 Ca 0.25 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 2aog s LYS 14 Cb -0.05 -2.15 0.05 0.00 -1.51 0.00 0.00 37.83 34.16 2aog s LYS 14 CO 0.11 -0.08 0.23 -1.50 -0.36 0.00 0.00 175.35 173.76 2aog s ILE 15 N 1.01 -0.04 -1.47 5.43 2.07 -0.20 -1.31 121.20 126.68 2aog s ILE 15 Ca -0.05 0.15 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 2aog s ILE 15 Cb -0.15 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.10 2aog s ILE 15 CO -0.04 0.06 0.45 0.61 -1.91 0.00 0.00 174.94 174.12 2aog n GLY 16 N 4.22 -0.51 2.59 1.50 0.00 -1.26 -0.84 105.19 110.89 2aog n GLY 16 Ca -0.25 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2aog n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aog n GLY 17 N -1.31 0.87 3.40 -0.02 0.00 -1.26 -5.01 105.19 101.85 2aog n GLY 17 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2aog n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aog s GLN 18 N -0.07 2.00 -0.01 1.61 -0.21 -0.02 -5.12 119.66 117.84 2aog s GLN 18 Ca 0.00 -1.01 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 2aog s GLN 18 Cb 0.00 -2.11 -0.06 0.00 1.00 0.00 0.00 33.01 31.85 2aog s GLN 18 CO 0.00 0.54 0.46 -0.51 -2.12 0.00 0.00 175.29 173.66 2aog s LEU 19 N -1.24 4.44 0.10 2.90 1.43 -1.26 -1.03 118.68 124.02 2aog s LEU 19 Ca 0.13 1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2aog s LEU 19 Cb -0.10 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2aog s LEU 19 CO 0.03 0.23 0.11 -0.54 0.23 0.00 0.00 176.35 176.41 2aog s LYS 20 N -0.66 0.83 -0.10 1.70 1.02 -0.53 -4.99 119.74 117.02 2aog s LYS 20 Ca 0.25 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.01 2aog s LYS 20 Cb -0.17 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2aog s LYS 20 CO 0.14 -0.24 0.13 -1.21 -0.92 0.00 0.00 175.35 173.25 2aog s GLU 21 N -3.94 3.40 0.03 1.68 0.41 -1.26 -0.43 118.70 118.59 2aog s GLU 21 Ca 0.11 -0.18 -0.08 0.00 -0.41 0.00 0.00 54.97 54.42 2aog s GLU 21 Cb 0.06 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2aog s GLU 21 CO -0.06 0.76 0.16 0.00 -0.49 0.00 0.00 175.26 175.63 2aog s ALA 22 N -1.06 -0.30 -0.14 5.21 0.00 -0.08 -4.57 121.76 120.83 2aog s ALA 22 Ca 0.16 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 2aog s ALA 22 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2aog s ALA 22 CO 0.06 -0.31 0.55 -1.17 0.00 0.00 0.00 175.76 174.88 2aog s LEU 23 N -1.92 4.23 -0.47 0.00 2.96 -0.22 -1.09 118.68 122.17 2aog s LEU 23 Ca -0.07 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.38 2aog s LEU 23 Cb -0.03 -2.79 0.03 0.00 0.50 0.00 0.00 46.19 43.90 2aog s LEU 23 CO -0.03 -0.11 1.14 -0.76 -1.32 0.00 0.00 176.35 175.28 2aog s LEU 24 N 1.12 3.64 -0.36 -0.68 1.43 -0.17 -0.45 118.68 123.21 2aog s LEU 24 Ca 0.28 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 2aog s LEU 24 Cb -0.16 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2aog s LEU 24 CO 0.11 -1.25 0.08 -0.62 0.23 0.00 0.00 176.35 174.91 2aog s ASP 25 N 2.47 4.62 0.46 2.29 -1.08 -0.34 -4.78 116.67 120.30 2aog s ASP 25 Ca 0.48 -2.20 0.31 0.00 -0.52 0.00 0.00 52.55 50.62 2aog s ASP 25 Cb -0.07 -1.54 1.45 0.00 -1.46 0.00 0.00 42.92 41.30 2aog s ASP 25 CO 0.31 -0.37 1.94 0.71 0.52 0.00 0.00 175.17 178.29 2aog h THR 26 N 6.46 0.00 -0.14 1.71 1.35 -1.94 -1.95 112.91 118.39 2aog h THR 26 Ca -0.05 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2aog h THR 26 Cb 1.00 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2aog h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2aog n GLY 27 N -0.42 -0.11 3.39 5.82 0.00 -1.26 -4.82 105.19 107.78 2aog n GLY 27 Ca -0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2aog n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aog s ALA 28 N -1.81 2.85 0.24 4.61 0.00 -0.73 -5.00 121.76 121.91 2aog s ALA 28 Ca 0.26 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2aog s ALA 28 Cb 0.13 -1.57 0.26 0.00 0.00 0.00 0.00 23.12 21.94 2aog s ALA 28 CO 0.20 -0.08 1.70 -0.44 0.00 0.00 0.00 175.76 177.13 2aog h ASP 29 N 7.37 0.77 -2.48 0.00 3.32 -1.88 0.51 116.42 124.04 2aog h ASP 29 Ca -0.35 -0.23 -0.56 0.00 0.02 0.00 0.00 57.03 55.92 2aog h ASP 29 Cb 1.18 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 2aog h ASP 29 CO 0.60 0.90 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.50 2aog s ASP 30 N -6.69 3.26 -0.18 6.45 1.01 -1.26 -2.76 116.67 116.50 2aog s ASP 30 Ca -0.09 -1.11 -0.14 0.00 0.71 0.00 0.00 52.55 51.92 2aog s ASP 30 Cb 0.14 -0.25 -0.05 0.00 1.01 0.00 0.00 42.92 43.77 2aog s ASP 30 CO 0.82 -0.15 0.28 -0.89 0.21 0.00 0.00 175.17 175.45 2aog s THR 31 N -2.73 5.30 -0.07 -1.27 2.01 -1.26 -3.25 115.64 114.37 2aog s THR 31 Ca 0.29 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2aog s THR 31 Cb -0.00 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2aog s THR 31 CO 0.13 0.37 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 2aog s VAL 32 N 0.64 0.59 0.05 3.82 1.01 -0.17 -0.98 120.40 125.36 2aog s VAL 32 Ca 0.15 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2aog s VAL 32 Cb -0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2aog s VAL 32 CO 0.04 0.27 -0.22 -0.63 0.00 0.00 0.00 175.10 174.56 2aog s ILE 33 N 1.41 1.76 1.08 2.22 -1.09 0.24 -0.52 121.20 126.29 2aog s ILE 33 Ca -0.03 -1.27 -0.12 0.00 -2.23 0.00 0.00 60.65 57.01 2aog s ILE 33 Cb -0.13 -1.53 0.24 0.00 -1.58 0.00 0.00 42.46 39.46 2aog s ILE 33 CO -0.03 0.21 1.07 -1.83 -1.23 0.00 0.00 174.94 173.13 2aog s GLU 34 N -1.26 -0.26 0.12 2.79 -1.05 -1.26 -1.45 118.70 116.33 2aog s GLU 34 Ca 0.08 1.14 -0.35 0.00 -0.15 0.00 0.00 54.97 55.70 2aog s GLU 34 Cb -0.09 -1.61 -0.14 0.00 -0.44 0.00 0.00 34.13 31.85 2aog s GLU 34 CO 0.02 -3.37 1.55 0.39 0.95 0.00 0.00 175.26 174.80 2aog n GLU 35 N -4.71 1.94 -3.61 -4.83 -0.58 -1.22 -4.56 120.64 103.07 2aog n GLU 35 Ca 0.06 0.70 -0.08 0.00 -0.42 0.00 0.00 57.16 57.43 2aog n GLU 35 Cb 0.53 -2.45 -0.02 0.00 -0.57 0.00 0.00 31.44 28.94 2aog n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aog s MET 36 N 1.08 1.18 0.13 3.49 0.23 -1.26 -5.04 119.30 119.10 2aog s MET 36 Ca 0.81 -0.55 -0.22 0.00 -1.03 0.00 0.00 55.69 54.70 2aog s MET 36 Cb -0.74 0.47 -0.07 0.00 -1.53 0.00 0.00 34.83 32.96 2aog s MET 36 CO 0.41 -0.53 0.68 0.45 -2.03 0.00 0.00 175.02 174.00 2aog s SER 37 N -2.74 7.23 0.06 -1.18 0.15 -1.26 -5.03 113.70 110.93 2aog s SER 37 Ca 0.07 1.47 0.02 0.00 0.70 0.00 0.00 55.95 58.20 2aog s SER 37 Cb -0.02 -2.43 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2aog s SER 37 CO -0.04 0.23 -0.07 -0.76 1.20 0.00 0.00 173.24 173.80 2aog s LEU 38 N -1.18 2.36 0.61 3.45 1.43 -1.26 -4.90 118.68 119.20 2aog s LEU 38 Ca 0.33 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2aog s LEU 38 Cb -0.21 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 2aog s LEU 38 CO 0.23 -0.32 1.03 -2.16 0.23 0.00 0.00 176.35 175.36 2aog s PRO 39 N -2.50 3.49 0.07 1.29 0.04 -1.26 -4.97 135.00 131.15 2aog s PRO 39 Ca -0.02 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2aog s PRO 39 Cb -0.04 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2aog s PRO 39 CO -0.02 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2aog n GLY 40 N -2.18 -3.31 3.82 0.56 0.00 -1.26 -4.88 105.19 97.93 2aog n GLY 40 Ca 0.07 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 2aog n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aog s ARG 41 N -0.79 3.19 0.14 1.61 0.52 -1.26 -5.07 118.95 117.28 2aog s ARG 41 Ca 0.00 1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 56.24 2aog s ARG 41 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2aog s ARG 41 CO 0.00 -0.90 0.06 1.67 0.02 0.00 0.00 175.30 176.14 2aog s TRP 42 N -2.81 0.94 0.03 -0.53 1.48 -1.26 -4.50 118.94 112.29 2aog s TRP 42 Ca 0.60 -1.23 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 2aog s TRP 42 Cb -0.14 -0.52 -0.02 0.00 -1.16 0.00 0.00 33.47 31.62 2aog s TRP 42 CO 0.47 -0.49 -0.05 -1.59 -4.06 0.00 0.00 176.95 171.22 2aog s LYS 43 N -4.04 0.44 0.55 3.25 -2.85 -0.96 -4.93 119.74 111.20 2aog s LYS 43 Ca 0.26 -0.77 -0.16 0.00 -1.00 0.00 0.00 55.97 54.29 2aog s LYS 43 Cb 0.07 -0.02 -0.06 0.00 -2.06 0.00 0.00 37.83 35.77 2aog s LYS 43 CO 0.03 -0.03 1.02 -1.25 0.10 0.00 0.00 175.35 175.23 2aog s PRO 44 N -1.94 3.65 -0.00 1.78 0.04 -1.26 -0.51 135.00 136.77 2aog s PRO 44 Ca -0.10 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.92 2aog s PRO 44 Cb -0.07 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2aog s PRO 44 CO -0.02 -0.53 0.20 0.21 0.04 0.00 0.00 177.00 176.90 2aog s LYS 45 N -4.07 0.55 -0.13 4.56 2.20 -0.51 -4.85 119.74 117.48 2aog s LYS 45 Ca 0.61 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.87 2aog s LYS 45 Cb -0.13 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2aog s LYS 45 CO 0.34 -0.14 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.50 2aog s MET 46 N -1.38 3.45 0.01 4.03 -1.94 -1.26 -0.79 119.30 121.42 2aog s MET 46 Ca -0.14 -0.52 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 2aog s MET 46 Cb -0.07 -2.83 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 2aog s MET 46 CO 0.03 0.35 -0.18 0.96 -0.01 0.00 0.00 175.02 176.17 2aog s ILE 47 N 0.06 1.41 0.20 2.53 -4.36 -0.54 -4.97 121.20 115.53 2aog s ILE 47 Ca -0.00 -0.89 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 2aog s ILE 47 Cb -0.13 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 2aog s ILE 47 CO 0.03 0.29 -0.12 -0.83 0.24 0.00 0.00 174.94 174.55 2aog s GLY 48 N -0.69 1.40 0.00 6.27 0.00 -1.26 -0.99 107.32 112.05 2aog s GLY 48 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2aog s GLY 48 CO 0.00 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 171.98 2aog n GLY 49 N -0.37 1.86 3.74 0.20 0.00 -0.53 -4.98 105.19 105.11 2aog n GLY 49 Ca -0.08 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2aog n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aog s ILE 50 N -1.04 2.66 0.00 -0.61 1.01 -1.26 -1.37 121.20 120.60 2aog s ILE 50 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2aog s ILE 50 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2aog s ILE 50 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2aog n GLY 51 N 2.52 1.35 0.00 6.18 0.00 -1.26 -4.93 105.19 109.05 2aog n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2aog n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aog n GLY 52 N -2.00 0.16 3.60 -0.02 0.00 -0.47 -5.04 105.19 101.42 2aog n GLY 52 Ca 0.00 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 2aog n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aog s PHE 53 N 0.00 2.70 0.11 1.61 0.40 -1.26 -1.45 117.98 120.09 2aog s PHE 53 Ca 0.00 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 2aog s PHE 53 Cb 0.00 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 2aog s PHE 53 CO 0.00 0.50 -0.12 0.96 0.70 0.00 0.00 175.22 177.27 2aog s ILE 54 N -1.66 1.12 -0.09 0.64 -4.36 -0.16 -4.97 121.20 111.72 2aog s ILE 54 Ca 0.25 -1.69 -0.14 0.00 -0.26 0.00 0.00 60.65 58.82 2aog s ILE 54 Cb -0.09 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 2aog s ILE 54 CO 0.16 -0.50 0.35 -0.75 0.24 0.00 0.00 174.94 174.43 2aog s LYS 55 N -2.76 4.06 0.22 0.37 2.20 -1.26 -1.47 119.74 121.10 2aog s LYS 55 Ca 0.07 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 2aog s LYS 55 Cb -0.04 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 2aog s LYS 55 CO 0.01 0.44 0.04 0.14 -0.36 0.00 0.00 175.35 175.63 2aog s VAL 56 N -0.20 0.68 -0.20 4.02 -7.23 0.03 -4.41 120.40 113.10 2aog s VAL 56 Ca 0.20 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2aog s VAL 56 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2aog s VAL 56 CO 0.08 -0.25 0.09 -0.13 -0.31 0.00 0.00 175.10 174.58 2aog s ARG 57 N -3.96 4.01 -0.28 4.82 0.52 0.06 -1.43 118.95 122.70 2aog s ARG 57 Ca 0.31 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 55.06 2aog s ARG 57 Cb 0.07 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 2aog s ARG 57 CO 0.09 0.23 0.34 -1.14 0.02 0.00 0.00 175.30 174.84 2aog s GLN 58 N 0.52 3.94 -0.10 3.54 0.74 0.34 -0.84 119.66 127.80 2aog s GLN 58 Ca 0.05 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.38 2aog s GLN 58 Cb -0.12 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 2aog s GLN 58 CO 0.00 -0.30 -0.11 0.71 -0.55 0.00 0.00 175.29 175.05 2aog s TYR 59 N 2.01 2.82 0.25 1.67 1.51 -0.40 -2.27 117.35 122.95 2aog s TYR 59 Ca 0.13 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.93 2aog s TYR 59 Cb -0.16 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2aog s TYR 59 CO 0.10 0.03 0.24 -0.51 -1.11 0.00 0.00 175.55 174.30 2aog s ASP 60 N -0.20 5.67 -1.34 2.29 1.01 -1.26 -0.94 116.67 121.89 2aog s ASP 60 Ca 0.01 -0.20 -0.07 0.00 0.71 0.00 0.00 52.55 53.00 2aog s ASP 60 Cb -0.13 -1.47 0.02 0.00 1.01 0.00 0.00 42.92 42.35 2aog s ASP 60 CO 0.03 -0.06 1.06 0.00 0.21 0.00 0.00 175.17 176.41 2aog n GLN 61 N -1.24 -6.96 -3.48 8.23 1.13 -1.17 -4.91 117.38 108.99 2aog n GLN 61 Ca -0.08 0.78 -0.37 0.00 -1.94 0.00 0.00 57.00 55.39 2aog n GLN 61 Cb 0.58 -5.75 -0.07 0.00 0.11 0.00 0.00 30.24 25.11 2aog n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2aog s ILE 62 N -3.36 5.25 -0.01 5.09 -1.09 -0.06 -4.80 121.20 122.22 2aog s ILE 62 Ca 0.40 0.69 -0.20 0.00 -2.23 0.00 0.00 60.65 59.31 2aog s ILE 62 Cb -0.18 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2aog s ILE 62 CO 0.75 0.40 0.57 -0.63 -1.23 0.00 0.00 174.94 174.81 2aog s ILE 63 N 0.29 4.93 0.04 2.92 1.01 -1.26 -1.45 121.20 127.68 2aog s ILE 63 Ca 0.20 1.20 0.03 0.00 0.00 0.00 0.00 60.65 62.08 2aog s ILE 63 Cb -0.14 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2aog s ILE 63 CO 0.07 0.42 -0.10 -0.51 0.00 0.00 0.00 174.94 174.82 2aog s ILE 64 N -0.21 0.79 -0.19 2.92 2.07 -0.82 -4.47 121.20 121.30 2aog s ILE 64 Ca 0.30 -0.98 -0.03 0.00 -1.41 0.00 0.00 60.65 58.54 2aog s ILE 64 Cb -0.18 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 2aog s ILE 64 CO 0.16 -0.17 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.25 2aog s GLU 65 N -1.28 3.40 -0.27 3.50 2.12 -0.43 -1.37 118.70 124.36 2aog s GLU 65 Ca -0.03 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.68 2aog s GLU 65 Cb -0.08 -2.87 0.06 0.00 0.26 0.00 0.00 34.13 31.50 2aog s GLU 65 CO 0.01 -0.03 -0.08 0.42 -0.54 0.00 0.00 175.26 175.04 2aog s ILE 66 N 1.02 2.35 -1.61 -3.70 1.01 0.71 -1.00 121.20 119.99 2aog s ILE 66 Ca -0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 60.65 58.88 2aog s ILE 66 Cb -0.15 -2.39 0.13 0.00 0.01 0.00 0.00 42.46 40.06 2aog s ILE 66 CO -0.01 -0.06 0.84 0.00 0.00 0.00 0.00 174.94 175.72 2aog n ALA 67 N 4.47 -1.24 -0.29 9.38 0.00 -0.15 -1.01 120.51 131.67 2aog n ALA 67 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2aog n ALA 67 Cb 0.42 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 16.03 2aog n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aog n GLY 68 N -1.48 0.95 3.36 0.00 0.00 -1.26 -5.03 105.19 101.72 2aog n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2aog n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aog s HIS 69 N -2.74 2.98 0.25 1.61 4.02 -0.18 -5.08 115.29 116.15 2aog s HIS 69 Ca 0.00 -0.77 -0.17 0.00 1.02 0.00 0.00 55.06 55.14 2aog s HIS 69 Cb 0.00 -2.10 -0.08 0.00 -1.02 0.00 0.00 32.58 29.38 2aog s HIS 69 CO 0.00 -0.44 0.71 0.15 1.02 0.00 0.00 174.74 176.18 2aog s LYS 70 N 1.32 4.13 0.36 1.40 1.02 -1.26 -0.21 119.74 126.49 2aog s LYS 70 Ca 0.04 0.75 -0.05 0.00 0.02 0.00 0.00 55.97 56.73 2aog s LYS 70 Cb -0.14 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 2aog s LYS 70 CO -0.01 0.31 0.53 0.00 -0.92 0.00 0.00 175.35 175.26 2aog s ALA 71 N -1.70 0.53 -0.01 5.17 0.00 -0.47 -4.80 121.76 120.48 2aog s ALA 71 Ca 0.47 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2aog s ALA 71 Cb -0.14 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2aog s ALA 71 CO 0.20 -0.83 0.09 -1.50 0.00 0.00 0.00 175.76 173.72 2aog s ILE 72 N -2.88 0.05 -1.59 0.00 2.07 -1.26 -1.94 121.20 115.65 2aog s ILE 72 Ca 0.28 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 2aog s ILE 72 Cb -0.01 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.30 2aog s ILE 72 CO 0.19 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2aog n GLY 73 N 2.17 -1.17 3.75 1.50 0.00 -0.53 -4.92 105.19 105.99 2aog n GLY 73 Ca -0.18 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 2aog n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aog s THR 74 N -3.00 3.94 -0.06 2.61 2.01 -1.26 -0.88 115.64 119.00 2aog s THR 74 Ca 0.00 1.89 0.03 0.00 0.31 0.00 0.00 61.69 63.92 2aog s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2aog s THR 74 CO 0.00 0.43 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.52 2aog s VAL 75 N -0.98 1.27 -0.13 3.82 1.01 -0.11 -4.51 120.40 120.77 2aog s VAL 75 Ca 0.43 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2aog s VAL 75 Cb -0.28 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2aog s VAL 75 CO 0.34 0.38 0.18 -0.76 0.00 0.00 0.00 175.10 175.24 2aog s LEU 76 N 0.42 4.35 -0.09 3.92 1.43 -0.15 -1.28 118.68 127.28 2aog s LEU 76 Ca -0.11 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2aog s LEU 76 Cb -0.14 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2aog s LEU 76 CO 0.04 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 176.07 2aog s VAL 77 N -0.62 1.67 -1.44 -1.59 1.01 -0.02 -0.59 120.40 118.82 2aog s VAL 77 Ca 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2aog s VAL 77 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2aog s VAL 77 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2aog n GLY 78 N 3.76 -0.97 2.26 4.51 0.00 -0.53 -0.76 105.19 113.45 2aog n GLY 78 Ca -0.20 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2aog n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aog n PRO 79 N 0.00 3.29 -2.57 1.61 -0.04 -1.26 -3.43 135.00 132.59 2aog n PRO 79 Ca 0.00 -2.05 -0.39 0.00 -0.04 0.00 0.00 63.50 61.03 2aog n PRO 79 Cb 0.00 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 30.89 2aog n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2aog s THR 80 N 1.18 3.72 -0.95 0.52 -1.32 -1.26 -4.93 115.64 112.60 2aog s THR 80 Ca 0.67 1.56 0.18 0.00 -1.21 0.00 0.00 61.69 62.89 2aog s THR 80 Cb 0.23 -3.93 0.16 0.00 -1.51 0.00 0.00 72.50 67.45 2aog s THR 80 CO -0.06 0.24 1.58 -0.81 -2.21 0.00 0.00 174.62 173.37 2aog n PRO 81 N 0.75 0.02 -3.72 7.08 -0.05 -1.26 -4.75 135.00 133.08 2aog n PRO 81 Ca 0.01 0.22 -0.13 0.00 -0.05 0.00 0.00 63.50 63.55 2aog n PRO 81 Cb 0.47 -1.54 -0.10 0.00 -0.05 0.00 0.00 33.50 32.28 2aog n PRO 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2aog s ALA 82 N -3.03 -1.11 0.12 0.55 0.00 -1.26 -5.13 121.76 111.90 2aog s ALA 82 Ca 0.08 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 53.04 2aog s ALA 82 Cb 0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 2aog s ALA 82 CO 0.34 -0.22 1.31 -0.80 0.00 0.00 0.00 175.76 176.39 2aog s ASN 83 N 0.37 6.92 -0.07 0.00 0.01 -1.26 -4.77 114.94 116.15 2aog s ASN 83 Ca -0.01 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.40 2aog s ASN 83 Cb -0.04 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2aog s ASN 83 CO -0.01 -0.56 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.30 2aog s ILE 84 N 0.84 0.92 -0.36 0.60 -1.09 0.32 -1.05 121.20 121.38 2aog s ILE 84 Ca 0.61 -0.31 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 2aog s ILE 84 Cb -0.34 -0.90 -0.00 0.00 -1.58 0.00 0.00 42.46 39.64 2aog s ILE 84 CO 0.32 0.32 0.44 -0.63 -1.23 0.00 0.00 174.94 174.16 2aog s ILE 85 N 1.07 5.09 0.35 2.92 -1.09 0.40 -1.00 121.20 128.94 2aog s ILE 85 Ca -0.08 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 2aog s ILE 85 Cb -0.14 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 2aog s ILE 85 CO -0.01 -0.21 0.48 0.61 -1.23 0.00 0.00 174.94 174.58 2aog n GLY 86 N 4.93 1.94 0.26 6.18 0.00 -1.20 -1.20 105.19 116.09 2aog n GLY 86 Ca -0.07 -2.19 0.06 0.00 0.00 0.00 0.00 46.02 43.82 2aog n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aog h ARG 87 N 0.00 0.15 -0.18 1.61 3.08 -0.92 -1.06 114.38 117.06 2aog h ARG 87 Ca -0.16 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.92 2aog h ARG 87 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2aog h ARG 87 CO 0.23 0.17 0.14 -2.95 -1.07 0.00 0.00 179.97 176.49 2aog h ASN 88 N 0.15 0.00 0.00 7.04 -1.07 -1.78 -1.85 115.58 118.07 2aog h ASN 88 Ca 0.04 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.16 2aog h ASN 88 Cb 0.11 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.31 2aog h ASN 88 CO 0.00 0.00 -2.04 0.18 0.07 0.00 0.00 177.43 175.64 2aog n LEU 89 N -4.34 0.00 -0.33 6.14 4.77 -0.80 -4.45 117.00 117.98 2aog n LEU 89 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2aog n LEU 89 Cb 0.27 0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.86 2aog n LEU 89 CO 0.33 0.33 1.28 -0.07 -1.33 0.00 0.00 177.39 177.93 2aog h LEU 90 N 0.00 1.05 -1.00 2.23 3.38 -0.94 -1.71 115.31 118.33 2aog h LEU 90 Ca -0.36 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.62 2aog h LEU 90 Cb 1.79 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.24 2aog h LEU 90 CO 0.02 0.73 0.66 0.71 0.09 0.00 0.00 178.44 180.65 2aog h THR 91 N 1.22 1.20 0.00 0.22 1.35 -1.57 -1.61 112.91 113.71 2aog h THR 91 Ca 0.36 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 65.70 2aog h THR 91 Cb -0.05 -0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.15 2aog h THR 91 CO -0.10 0.23 -0.38 1.56 -0.25 0.00 0.00 175.52 176.58 2aog h GLN 92 N 1.29 0.00 -0.15 4.72 1.08 -1.53 -1.55 115.11 118.96 2aog h GLN 92 Ca 0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 2aog h GLN 92 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2aog h GLN 92 CO -0.11 0.38 0.00 0.44 -0.95 0.00 0.00 178.83 178.59 2aog n ILE 93 N -3.98 0.19 -1.55 2.54 -5.35 -1.09 -4.94 119.36 105.18 2aog n ILE 93 Ca -0.02 -0.37 -0.01 0.00 -0.27 0.00 0.00 62.75 62.09 2aog n ILE 93 Cb 0.43 0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 38.79 2aog n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aog n GLY 94 N 1.17 0.39 3.74 3.28 0.00 -0.58 -5.01 105.19 108.17 2aog n GLY 94 Ca 0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 2aog n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aog s ALA 95 N -2.06 3.28 0.10 4.61 0.00 -0.62 -5.03 121.76 122.04 2aog s ALA 95 Ca 0.00 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2aog s ALA 95 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2aog s ALA 95 CO 0.00 0.01 -0.11 0.95 0.00 0.00 0.00 175.76 176.61 2aog s THR 96 N -0.35 1.02 -0.12 0.00 -4.23 -1.26 -4.69 115.64 106.01 2aog s THR 96 Ca 0.46 -1.65 -0.15 0.00 -1.18 0.00 0.00 61.69 59.17 2aog s THR 96 Cb -0.25 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.15 2aog s THR 96 CO 0.31 -0.53 0.35 -0.22 -0.54 0.00 0.00 174.62 173.99 2aog s LEU 97 N -2.44 4.30 -0.04 4.79 2.96 -1.26 -5.09 118.68 121.90 2aog s LEU 97 Ca 0.06 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2aog s LEU 97 Cb -0.03 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2aog s LEU 97 CO 0.01 0.13 -0.11 0.20 -1.32 0.00 0.00 176.35 175.26 2aog s ASN 98 N 0.15 1.52 0.00 3.68 0.01 -1.26 -5.30 114.94 113.73 2aog s ASN 98 Ca 0.20 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 2aog s ASN 98 Cb -0.14 -0.51 0.00 0.00 0.41 0.00 0.00 41.25 41.01 2aog s ASN 98 CO 0.07 0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.95