#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqa s LEU 3 N 0.00 4.23 -0.20 2.41 1.02 -1.26 -4.91 118.68 119.98 2aqa s LEU 3 Ca 0.00 1.76 0.12 0.00 0.02 0.00 0.00 54.13 56.03 2aqa s LEU 3 Cb 0.00 -3.55 0.41 0.00 0.02 0.00 0.00 46.19 43.07 2aqa s LEU 3 CO 0.00 -0.67 1.21 0.80 0.02 0.00 0.00 176.35 177.71 2aqa n MET 4 N 5.88 1.55 -3.64 1.70 1.56 -1.26 -4.99 117.12 117.92 2aqa n MET 4 Ca 0.12 -3.23 -0.06 0.00 -0.27 0.00 0.00 57.70 54.27 2aqa n MET 4 Cb 0.45 -1.61 -0.07 0.00 2.15 0.00 0.00 33.22 34.15 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 -0.73 0.00 0.00 175.97 176.76 2aqa s TYR 5 N -3.20 -0.78 0.22 1.12 1.13 -1.26 -4.29 117.35 110.29 2aqa s TYR 5 Ca 0.37 1.61 -0.24 0.00 -1.41 0.00 0.00 57.07 57.40 2aqa s TYR 5 Cb 0.36 0.46 -0.09 0.00 -1.10 0.00 0.00 41.96 41.60 2aqa s TYR 5 CO -0.06 -0.39 0.81 0.95 -2.51 0.00 0.00 175.55 174.35 2aqa s THR 6 N 1.30 4.37 0.49 -3.49 -4.23 -0.11 -4.72 115.64 109.25 2aqa s THR 6 Ca -0.08 1.63 0.01 0.00 -1.18 0.00 0.00 61.69 62.07 2aqa s THR 6 Cb -0.04 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 69.77 2aqa s THR 6 CO -0.15 0.34 0.70 -0.76 -0.54 0.00 0.00 174.62 174.21 2aqa s LEU 7 N -1.60 3.50 0.00 4.79 1.43 -1.26 -0.09 118.68 125.44 2aqa s LEU 7 Ca 0.41 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2aqa s LEU 7 Cb -0.20 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.02 2aqa s LEU 7 CO 0.24 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2aqa n GLY 8 N -2.16 2.36 0.27 -3.19 0.00 -0.81 -4.89 105.19 96.76 2aqa n GLY 8 Ca 0.04 -2.13 0.17 0.00 0.00 0.00 0.00 46.02 44.11 2aqa n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aqa h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -2.00 -3.08 132.00 128.66 2aqa h PRO 9 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2aqa h PRO 9 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2aqa h PRO 9 CO 0.00 0.00 -1.72 -3.47 -0.23 0.00 0.00 178.00 172.58 2aqa n ASP 10 N -3.02 1.87 0.00 1.44 2.03 -1.26 -5.00 116.55 112.61 2aqa n ASP 10 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2aqa n ASP 10 Cb 0.29 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 42.00 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aqa n GLY 11 N 1.92 1.82 3.64 0.27 0.00 -1.16 -5.10 105.19 106.58 2aqa n GLY 11 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2aqa n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqa s LYS 12 N 0.00 4.12 0.60 1.61 1.02 -1.26 -4.66 119.74 121.18 2aqa s LYS 12 Ca 0.00 1.15 -0.19 0.00 0.02 0.00 0.00 55.97 56.94 2aqa s LYS 12 Cb 0.00 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 2aqa s LYS 12 CO 0.00 -0.81 1.23 2.89 -0.92 0.00 0.00 175.35 177.74 2aqa n ARG 13 N 6.68 1.24 -3.44 1.68 1.85 -1.26 -1.92 116.66 121.49 2aqa n ARG 13 Ca 0.12 0.47 -0.14 0.00 -1.00 0.00 0.00 57.85 57.30 2aqa n ARG 13 Cb 0.47 -2.45 -0.11 0.00 -1.05 0.00 0.00 32.46 29.32 2aqa n ARG 13 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2aqa s ILE 14 N -1.38 -0.44 -1.06 8.89 1.01 0.86 -4.91 121.20 124.17 2aqa s ILE 14 Ca 0.78 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 61.11 2aqa s ILE 14 Cb -0.40 -0.72 -0.07 0.00 0.01 0.00 0.00 42.46 41.27 2aqa s ILE 14 CO 0.45 -0.15 1.94 -0.31 0.00 0.00 0.00 174.94 176.86 2aqa s TYR 15 N 2.42 1.90 -0.07 3.97 2.02 -1.26 -0.93 117.35 125.39 2aqa s TYR 15 Ca 0.09 0.52 0.18 0.00 -0.37 0.00 0.00 57.07 57.49 2aqa s TYR 15 Cb -0.15 -4.02 0.34 0.00 -0.40 0.00 0.00 41.96 37.72 2aqa s TYR 15 CO -0.13 -1.44 1.15 2.41 -1.57 0.00 0.00 175.55 175.96 2aqa n THR 16 N 7.83 0.22 -0.13 -0.71 -1.04 -1.26 -4.94 114.28 114.24 2aqa n THR 16 Ca 0.43 -1.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.31 2aqa n THR 16 Cb 0.47 0.93 0.02 0.00 -1.82 0.00 0.00 70.33 69.93 2aqa n THR 16 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2aqa h LEU 17 N 1.04 -0.36 -9.59 -4.42 7.12 -1.78 -3.43 115.31 103.89 2aqa h LEU 17 Ca -0.31 0.12 -0.59 0.00 0.13 0.00 0.00 57.88 57.23 2aqa h LEU 17 Cb 1.63 0.25 0.13 0.00 -0.53 0.00 0.00 40.66 42.14 2aqa h LEU 17 CO -0.00 -0.13 0.11 0.29 -0.13 0.00 0.00 178.44 178.58 2aqa n LYS 18 N -5.30 1.30 -3.24 1.25 5.02 -1.26 -2.66 118.16 113.27 2aqa n LYS 18 Ca 0.03 0.46 -0.16 0.00 -2.02 0.00 0.00 58.31 56.63 2aqa n LYS 18 Cb 0.23 -1.96 0.07 0.00 -0.02 0.00 0.00 35.03 33.35 2aqa n LYS 18 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2aqa n LYS 19 N 0.30 -5.75 -3.86 1.97 4.81 -1.26 -5.03 118.16 109.33 2aqa n LYS 19 Ca 0.09 0.69 -0.12 0.00 -0.87 0.00 0.00 58.31 58.11 2aqa n LYS 19 Cb 0.38 -5.28 -0.12 0.00 0.02 0.00 0.00 35.03 30.03 2aqa n LYS 19 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2aqa s VAL 20 N -3.29 0.04 0.23 3.15 1.01 -1.09 -5.17 120.40 115.29 2aqa s VAL 20 Ca 0.13 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.87 2aqa s VAL 20 Cb -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 2aqa s VAL 20 CO 0.60 -0.18 -0.15 0.28 0.00 0.00 0.00 175.10 175.65 2aqa s THR 21 N -0.57 1.94 -0.38 3.92 -1.32 -1.26 -5.04 115.64 112.93 2aqa s THR 21 Ca -0.06 -2.26 0.06 0.00 -1.21 0.00 0.00 61.69 58.22 2aqa s THR 21 Cb -0.04 -2.15 0.68 0.00 -1.51 0.00 0.00 72.50 69.48 2aqa s THR 21 CO 0.00 -0.52 1.82 1.21 -2.21 0.00 0.00 174.62 174.92 2aqa n GLU 22 N -0.46 2.91 -2.83 7.08 2.13 -1.26 -4.88 120.64 123.33 2aqa n GLU 22 Ca -0.07 -2.88 -0.18 0.00 0.66 0.00 0.00 57.16 54.69 2aqa n GLU 22 Cb 0.60 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.17 2aqa n GLU 22 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2aqa n SER 23 N -0.58 -4.27 -0.75 4.31 2.88 -1.26 -4.83 113.62 109.12 2aqa n SER 23 Ca 0.48 -0.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.03 2aqa n SER 23 Cb 1.48 -3.56 0.24 0.00 -0.75 0.00 0.00 64.21 61.62 2aqa n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aqa n GLY 24 N -1.04 4.14 0.18 0.46 0.00 -1.26 -4.61 105.19 103.06 2aqa n GLY 24 Ca -0.10 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 2aqa n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aqa h GLU 25 N 1.51 0.62 -6.10 1.61 4.81 -2.00 -3.44 114.58 111.60 2aqa h GLU 25 Ca 0.00 -0.60 -0.56 0.00 -0.13 0.00 0.00 59.36 58.07 2aqa h GLU 25 Cb 1.35 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 2aqa h GLU 25 CO 0.18 1.21 0.06 0.42 -0.73 0.00 0.00 179.01 180.15 2aqa s ILE 26 N -3.43 4.93 0.46 2.32 1.01 -1.26 -5.07 121.20 120.16 2aqa s ILE 26 Ca -0.11 1.39 0.04 0.00 0.00 0.00 0.00 60.65 61.97 2aqa s ILE 26 Cb 0.06 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2aqa s ILE 26 CO 0.88 0.34 0.01 0.42 0.00 0.00 0.00 174.94 176.58 2aqa s THR 27 N 0.26 1.54 0.49 2.92 -4.23 -1.26 -5.14 115.64 110.23 2aqa s THR 27 Ca 0.35 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 2aqa s THR 27 Cb -0.18 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2aqa s THR 27 CO 0.18 0.00 0.32 -1.59 -0.54 0.00 0.00 174.62 172.99 2aqa s LYS 28 N -3.80 2.28 0.33 3.99 0.00 -1.26 -5.13 119.74 116.16 2aqa s LYS 28 Ca 0.20 -1.94 -0.07 0.00 0.00 0.00 0.00 55.97 54.17 2aqa s LYS 28 Cb 0.06 -2.07 -0.06 0.00 0.00 0.00 0.00 37.83 35.77 2aqa s LYS 28 CO 0.10 -0.42 0.63 0.45 0.00 0.00 0.00 175.35 176.11 2aqa s SER 29 N -4.14 6.47 0.65 0.03 0.15 -1.26 -5.08 113.70 110.52 2aqa s SER 29 Ca 0.35 0.85 -0.11 0.00 0.70 0.00 0.00 55.95 57.74 2aqa s SER 29 Cb -0.01 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 2aqa s SER 29 CO 0.21 -0.27 1.05 0.00 1.20 0.00 0.00 173.24 175.43 2aqa s ALA 30 N -2.19 2.96 -0.64 5.45 0.00 -1.26 -4.49 121.76 121.59 2aqa s ALA 30 Ca 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2aqa s ALA 30 Cb -0.11 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2aqa s ALA 30 CO 0.31 -0.89 0.66 0.72 0.00 0.00 0.00 175.76 176.56 2aqa n HIS 31 N -2.88 -3.07 -1.09 0.00 8.25 -1.26 -5.00 115.22 110.17 2aqa n HIS 31 Ca 0.06 1.20 -0.30 0.00 -0.26 0.00 0.00 57.72 58.42 2aqa n HIS 31 Cb 0.55 -3.94 0.23 0.00 1.12 0.00 0.00 29.99 27.94 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2aqa s PRO 32 N -3.00 -1.04 1.18 -0.41 0.04 -1.26 -5.03 135.00 125.48 2aqa s PRO 32 Ca 0.09 0.00 -0.16 0.00 0.04 0.00 0.00 61.00 60.97 2aqa s PRO 32 Cb -0.02 -1.61 0.28 0.00 0.04 0.00 0.00 34.50 33.18 2aqa s PRO 32 CO 0.77 -3.60 1.05 0.00 0.04 0.00 0.00 177.00 175.25 2aqa s ALA 33 N -3.00 0.12 0.05 8.56 0.00 -1.26 -5.07 121.76 121.16 2aqa s ALA 33 Ca 0.70 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 2aqa s ALA 33 Cb -0.11 -3.05 0.10 0.00 0.00 0.00 0.00 23.12 20.06 2aqa s ALA 33 CO 0.56 -3.66 1.17 1.03 0.00 0.00 0.00 175.76 174.86 2aqa s ARG 34 N -4.97 0.69 -0.13 0.00 0.52 -1.26 -5.11 118.95 108.69 2aqa s ARG 34 Ca 0.68 -0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 2aqa s ARG 34 Cb -0.17 0.23 -0.07 0.00 0.52 0.00 0.00 34.95 35.46 2aqa s ARG 34 CO 0.59 -0.32 2.13 1.19 0.02 0.00 0.00 175.30 178.91 2aqa n PHE 35 N -0.51 2.15 -2.66 -0.53 3.01 -1.26 -4.80 117.46 112.86 2aqa n PHE 35 Ca -0.07 -0.19 -0.04 0.00 1.01 0.00 0.00 57.45 58.15 2aqa n PHE 35 Cb 0.62 -2.74 0.07 0.00 -0.01 0.00 0.00 39.48 37.42 2aqa n PHE 35 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2aqa n SER 36 N 10.02 -1.23 -0.06 4.37 3.41 -1.26 -5.05 113.62 123.83 2aqa n SER 36 Ca 0.27 -1.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.10 2aqa n SER 36 Cb 0.42 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2aqa h PRO 37 N 3.19 0.37 -3.13 4.33 0.13 -2.03 -3.48 132.00 131.37 2aqa h PRO 37 Ca -0.22 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2aqa h PRO 37 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2aqa h PRO 37 CO -0.21 0.74 0.19 0.34 -0.23 0.00 0.00 178.00 178.83 2aqa s ASP 38 N -6.13 -0.08 0.24 1.44 2.15 -1.26 -5.04 116.67 107.99 2aqa s ASP 38 Ca -0.14 -0.89 0.19 0.00 0.43 0.00 0.00 52.55 52.14 2aqa s ASP 38 Cb 0.05 0.76 0.06 0.00 -0.30 0.00 0.00 42.92 43.49 2aqa s ASP 38 CO 0.75 -1.45 1.22 0.44 -0.17 0.00 0.00 175.17 175.97 2aqa h ASP 39 N 2.03 0.00 -0.13 -0.34 3.32 -2.02 -3.24 116.42 116.03 2aqa h ASP 39 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2aqa h ASP 39 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2aqa h ASP 39 CO 0.32 0.27 0.00 0.29 -1.72 0.00 0.00 179.24 178.40 2aqa n LYS 40 N -2.97 1.48 0.18 3.56 4.76 -1.26 -4.03 118.16 119.89 2aqa n LYS 40 Ca -0.01 -0.73 0.18 0.00 -2.87 0.00 0.00 58.31 54.88 2aqa n LYS 40 Cb 0.67 -1.32 0.81 0.00 -1.84 0.00 0.00 35.03 33.35 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 2aqa h TYR 41 N 1.41 0.00 -2.42 2.13 -0.00 -1.97 -3.41 116.97 112.71 2aqa h TYR 41 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 58.73 58.26 2aqa h TYR 41 Cb 0.31 0.00 0.23 0.00 -0.00 0.00 0.00 36.73 37.27 2aqa h TYR 41 CO 0.09 0.00 -1.06 -1.13 -0.00 0.00 0.00 178.16 176.06 2aqa n SER 42 N -3.76 -2.36 0.16 0.10 3.41 -1.26 -4.87 113.62 105.04 2aqa n SER 42 Ca 0.03 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 2aqa n SER 42 Cb 0.39 -0.98 0.37 0.00 -0.26 0.00 0.00 64.21 63.73 2aqa n SER 42 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2aqa h ARG 43 N -1.99 0.00 -0.82 4.33 2.43 -1.97 -3.24 114.38 113.11 2aqa h ARG 43 Ca -0.52 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 58.89 2aqa h ARG 43 Cb 1.35 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2aqa h ARG 43 CO 0.38 0.00 0.60 -0.56 -1.51 0.00 0.00 179.97 178.87 2aqa h GLN 44 N 0.00 0.00 -0.52 0.20 3.07 -1.89 0.20 115.11 116.17 2aqa h GLN 44 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.89 2aqa h GLN 44 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 2aqa h GLN 44 CO 0.00 0.00 0.38 0.00 0.09 0.00 0.00 178.83 179.30 2aqa h ARG 45 N 0.00 0.00 -0.03 0.06 3.08 -1.78 -0.97 114.38 114.74 2aqa h ARG 45 Ca 0.39 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.26 2aqa h ARG 45 Cb 1.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.64 2aqa h ARG 45 CO -0.00 0.00 -0.69 0.28 -1.07 0.00 0.00 179.97 178.49 2aqa h VAL 46 N 0.00 1.37 -1.96 2.04 2.07 -0.86 -3.42 116.25 115.49 2aqa h VAL 46 Ca 0.25 -2.06 -0.51 0.00 0.82 0.00 0.00 66.70 65.20 2aqa h VAL 46 Cb 1.00 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 2aqa h VAL 46 CO -0.00 0.61 1.47 0.42 0.02 0.00 0.00 177.57 180.09 2aqa s THR 47 N -3.36 3.19 0.00 2.57 -4.23 -0.37 -4.89 115.64 108.55 2aqa s THR 47 Ca -0.12 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2aqa s THR 47 Cb 0.05 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2aqa s THR 47 CO 0.85 -0.35 0.76 0.18 -0.54 0.00 0.00 174.62 175.53 2aqa n LEU 48 N 13.42 0.00 -3.64 4.79 4.77 -1.26 -4.84 117.00 130.23 2aqa n LEU 48 Ca 0.28 0.76 -0.27 0.00 -0.03 0.00 0.00 56.01 56.75 2aqa n LEU 48 Cb 0.51 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2aqa n LEU 48 CO 0.70 -0.26 0.00 1.17 -1.33 0.00 0.00 177.39 177.67 2aqa n LYS 49 N -1.44 -3.89 -0.02 3.23 4.81 -1.26 -4.81 118.16 114.78 2aqa n LYS 49 Ca 0.00 0.50 -0.01 0.00 -0.87 0.00 0.00 58.31 57.93 2aqa n LYS 49 Cb 0.00 -5.26 -0.04 0.00 0.02 0.00 0.00 35.03 29.74 2aqa n LYS 49 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2aqa n LYS 50 N -4.09 2.20 -0.73 1.64 -0.00 -1.26 -5.05 118.16 110.87 2aqa n LYS 50 Ca 0.01 -0.02 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 2aqa n LYS 50 Cb 0.53 -1.13 0.15 0.00 -0.00 0.00 0.00 35.03 34.57 2aqa n LYS 50 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2aqa n ARG 51 N -2.03 -0.95 -4.05 -1.58 0.00 -1.26 -4.99 116.66 101.79 2aqa n ARG 51 Ca -0.06 -0.25 -0.33 0.00 -0.00 0.00 0.00 57.85 57.21 2aqa n ARG 51 Cb 0.50 -1.77 -0.15 0.00 -0.00 0.00 0.00 32.46 31.04 2aqa n ARG 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2aqa s PHE 52 N -2.31 3.03 0.18 2.89 0.08 -1.26 -5.00 117.98 115.59 2aqa s PHE 52 Ca 0.56 -1.83 -0.10 0.00 0.12 0.00 0.00 56.93 55.68 2aqa s PHE 52 Cb -0.16 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2aqa s PHE 52 CO 0.67 -0.80 1.63 0.78 -0.10 0.00 0.00 175.22 177.39 2aqa h GLY 53 N 7.91 1.14 -4.61 4.36 0.00 -2.03 -3.43 103.07 106.41 2aqa h GLY 53 Ca -0.33 -0.85 -0.70 0.00 0.00 0.00 0.00 47.33 45.45 2aqa h GLY 53 CO 0.56 0.78 -0.86 0.48 0.00 0.00 0.00 176.54 177.51 2aqa s LEU 54 N -9.32 2.25 -0.40 3.11 2.34 -1.26 -5.07 118.68 110.33 2aqa s LEU 54 Ca -0.12 -0.43 0.08 0.00 0.06 0.00 0.00 54.13 53.72 2aqa s LEU 54 Cb 0.13 -1.39 0.25 0.00 -0.56 0.00 0.00 46.19 44.62 2aqa s LEU 54 CO 0.86 0.31 0.52 0.52 -1.06 0.00 0.00 176.35 177.50 2aqa n VAL 55 N 2.24 -0.64 0.35 1.48 0.31 -1.26 -4.94 118.33 115.87 2aqa n VAL 55 Ca -0.16 -4.03 0.14 0.00 -0.01 0.00 0.00 64.34 60.28 2aqa n VAL 55 Cb 0.51 -1.96 0.58 0.00 -0.91 0.00 0.00 33.84 32.07 2aqa n VAL 55 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2aqa h PRO 56 N 4.02 0.00 0.00 5.55 0.13 -2.01 -3.46 132.00 136.23 2aqa h PRO 56 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2aqa h PRO 56 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2aqa h PRO 56 CO 0.47 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 2aqa n GLY 57 N -0.02 -0.95 0.00 1.56 0.00 -1.26 -5.36 105.19 99.15 2aqa n GLY 57 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14