#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 4.05 -0.15 2.41 1.02 -1.26 -4.98 118.68 119.77 2aqa s LEU 3 Ca 0.00 1.77 0.17 0.00 0.02 0.00 0.00 54.13 56.09 2aqa s LEU 3 Cb 0.00 -4.38 0.35 0.00 0.02 0.00 0.00 46.19 42.17 2aqa s LEU 3 CO 0.00 -0.33 1.21 1.15 0.02 0.00 0.00 176.35 178.40 2aqa n MET 4 N -0.32 1.57 -3.64 1.70 0.00 -1.26 -4.94 117.12 110.23 2aqa n MET 4 Ca 0.06 -2.73 -0.05 0.00 0.00 0.00 0.00 57.70 54.98 2aqa n MET 4 Cb 0.53 -1.58 -0.06 0.00 0.00 0.00 0.00 33.22 32.11 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2aqa s TYR 5 N -2.93 -1.14 0.13 3.17 1.13 -1.26 -2.87 117.35 113.58 2aqa s TYR 5 Ca 0.35 2.18 -0.25 0.00 -1.41 0.00 0.00 57.07 57.93 2aqa s TYR 5 Cb 0.30 0.68 -0.07 0.00 -1.10 0.00 0.00 41.96 41.77 2aqa s TYR 5 CO 0.03 -0.57 0.76 0.95 -2.51 0.00 0.00 175.55 174.21 2aqa s THR 6 N 2.00 4.47 0.34 -3.49 -4.23 0.09 -4.75 115.64 110.07 2aqa s THR 6 Ca -0.09 1.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.11 2aqa s THR 6 Cb -0.07 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.63 2aqa s THR 6 CO -0.20 0.49 0.51 -0.76 -0.54 0.00 0.00 174.62 174.12 2aqa s LEU 7 N -0.88 4.00 0.00 4.79 1.43 -1.26 -0.10 118.68 126.66 2aqa s LEU 7 Ca 0.36 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 2aqa s LEU 7 Cb -0.22 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 42.96 2aqa s LEU 7 CO 0.25 -0.36 0.12 0.61 0.23 0.00 0.00 176.35 177.21 2aqa n GLY 8 N -1.73 1.53 0.20 -3.19 0.00 -0.44 -4.88 105.19 96.68 2aqa n GLY 8 Ca -0.04 -2.08 0.15 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.01 132.00 128.73 2aqa h PRO 9 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 2aqa h PRO 9 Cb 0.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 2aqa h PRO 9 CO 0.05 0.00 -1.59 -3.47 -0.23 0.00 0.00 178.00 172.76 2aqa n ASP 10 N -2.65 2.25 0.00 1.44 -0.08 -1.26 -5.00 116.55 111.26 2aqa n ASP 10 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2aqa n ASP 10 Cb 0.26 1.39 0.00 0.00 2.34 0.00 0.00 41.12 45.11 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aqa n GLY 11 N 1.92 1.71 3.64 0.27 0.00 -1.14 -5.10 105.19 106.50 2aqa n GLY 11 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.08 0.53 1.61 -0.14 -1.26 -4.64 119.74 119.92 2aqa s LYS 12 Ca 0.00 1.38 -0.21 0.00 -1.36 0.00 0.00 55.97 55.78 2aqa s LYS 12 Cb 0.00 -3.79 -0.05 0.00 -1.68 0.00 0.00 37.83 32.30 2aqa s LYS 12 CO 0.00 -0.89 1.26 1.03 -0.76 0.00 0.00 175.35 175.99 2aqa s ARG 13 N 3.76 3.30 -0.23 1.68 0.52 -1.26 -1.33 118.95 125.39 2aqa s ARG 13 Ca 0.53 2.00 -0.03 0.00 -0.52 0.00 0.00 55.73 57.71 2aqa s ARG 13 Cb -0.18 -2.24 0.11 0.00 0.52 0.00 0.00 34.95 33.17 2aqa s ARG 13 CO 0.17 -0.99 0.27 0.42 0.02 0.00 0.00 175.30 175.19 2aqa s ILE 14 N -1.44 -0.40 -0.56 1.52 1.01 0.86 -4.92 121.20 117.26 2aqa s ILE 14 Ca 0.70 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.90 2aqa s ILE 14 Cb -0.35 -0.78 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 2aqa s ILE 14 CO 0.40 -0.25 2.45 -1.22 0.00 0.00 0.00 174.94 176.33 2aqa n TYR 15 N 5.33 1.31 -1.78 3.97 4.01 -1.26 -0.74 117.16 128.00 2aqa n TYR 15 Ca -0.04 0.14 0.05 0.00 -0.16 0.00 0.00 57.90 57.89 2aqa n TYR 15 Cb 0.49 -2.60 0.10 0.00 -0.31 0.00 0.00 39.34 37.03 2aqa n TYR 15 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2aqa n THR 16 N 7.97 1.14 0.25 -0.72 -1.04 -1.25 -4.80 114.28 115.84 2aqa n THR 16 Ca 0.41 -1.81 0.18 0.00 -2.04 0.00 0.00 64.05 60.79 2aqa n THR 16 Cb 0.48 0.22 0.90 0.00 -1.82 0.00 0.00 70.33 70.11 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 0.56 0.00 -1.98 -4.42 5.85 -1.81 -1.24 115.31 112.27 2aqa h LEU 17 Ca -0.06 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.87 2aqa h LEU 17 Cb 1.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2aqa h LEU 17 CO 0.03 0.00 0.56 0.50 -0.34 0.00 0.00 178.44 179.18 2aqa h LYS 18 N 0.00 0.00 -7.15 1.25 3.64 -1.89 -3.42 116.57 109.00 2aqa h LYS 18 Ca 0.05 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.90 2aqa h LYS 18 Cb 0.36 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 32.32 2aqa h LYS 18 CO -0.00 0.00 0.43 0.15 -2.27 0.00 0.00 179.45 177.76 2aqa s LYS 19 N -4.91 2.46 -0.08 1.90 3.01 -0.47 -5.00 119.74 116.66 2aqa s LYS 19 Ca -0.05 1.78 -0.16 0.00 -1.01 0.00 0.00 55.97 56.53 2aqa s LYS 19 Cb 0.20 -1.87 -0.05 0.00 -1.01 0.00 0.00 37.83 35.10 2aqa s LYS 19 CO 0.72 -1.59 0.42 0.08 0.51 0.00 0.00 175.35 175.48 2aqa s VAL 20 N -1.85 5.14 -0.29 3.17 1.01 -1.26 -5.03 120.40 121.29 2aqa s VAL 20 Ca 0.75 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2aqa s VAL 20 Cb -0.30 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2aqa s VAL 20 CO 0.41 0.44 1.66 -0.89 0.00 0.00 0.00 175.10 176.72 2aqa s THR 21 N -0.12 3.64 -0.37 3.92 2.01 -1.26 -4.96 115.64 118.49 2aqa s THR 21 Ca 0.23 0.69 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 2aqa s THR 21 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.61 2aqa s THR 21 CO 0.10 -0.41 0.77 -1.61 -0.69 0.00 0.00 174.62 172.78 2aqa s GLU 22 N 5.10 3.70 -0.09 4.92 2.02 -1.26 -4.90 118.70 128.20 2aqa s GLU 22 Ca 0.73 0.23 0.15 0.00 0.02 0.00 0.00 54.97 56.10 2aqa s GLU 22 Cb -0.22 -3.83 -0.23 0.00 0.10 0.00 0.00 34.13 29.95 2aqa s GLU 22 CO 0.32 -0.87 0.48 0.43 0.02 0.00 0.00 175.26 175.63 2aqa n SER 23 N 6.42 0.59 0.00 -0.19 7.64 -1.26 -5.10 113.62 121.73 2aqa n SER 23 Ca 0.03 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2aqa n SER 23 Cb 0.48 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2aqa n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aqa n GLY 24 N 1.61 0.78 3.67 0.23 0.00 -1.26 -5.05 105.19 105.17 2aqa n GLY 24 Ca -0.21 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2aqa n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aqa s GLU 25 N -1.30 4.24 0.03 1.61 2.12 -1.26 -5.01 118.70 119.13 2aqa s GLU 25 Ca 0.00 2.01 -0.06 0.00 0.36 0.00 0.00 54.97 57.28 2aqa s GLU 25 Cb 0.00 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 2aqa s GLU 25 CO 0.00 -0.69 0.29 -1.50 -0.54 0.00 0.00 175.26 172.81 2aqa s ILE 26 N 3.10 5.27 0.53 -3.70 2.07 -1.26 -5.10 121.20 122.12 2aqa s ILE 26 Ca 0.66 0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 60.01 2aqa s ILE 26 Cb -0.31 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.68 2aqa s ILE 26 CO 0.26 0.32 0.84 0.42 -1.91 0.00 0.00 174.94 174.87 2aqa s THR 27 N -1.34 4.30 0.45 4.00 -4.23 -1.26 -5.10 115.64 112.46 2aqa s THR 27 Ca 0.29 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2aqa s THR 27 Cb -0.13 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 2aqa s THR 27 CO 0.17 -0.66 0.37 -1.59 -0.54 0.00 0.00 174.62 172.37 2aqa s LYS 28 N -4.86 2.41 0.19 3.99 0.00 -1.26 -5.14 119.74 115.07 2aqa s LYS 28 Ca 0.51 -1.71 0.08 0.00 0.00 0.00 0.00 55.97 54.85 2aqa s LYS 28 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 37.83 35.43 2aqa s LYS 28 CO 0.45 -0.31 -0.04 0.45 0.00 0.00 0.00 175.35 175.89 2aqa s SER 29 N -4.15 4.50 0.07 0.03 0.15 -1.26 -5.14 113.70 107.90 2aqa s SER 29 Ca 0.44 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.62 2aqa s SER 29 Cb -0.02 -0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2aqa s SER 29 CO 0.26 0.08 -0.11 0.00 1.20 0.00 0.00 173.24 174.67 2aqa s ALA 30 N -1.80 1.02 0.71 5.45 0.00 -1.26 -5.15 121.76 120.72 2aqa s ALA 30 Ca 0.27 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 2aqa s ALA 30 Cb -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2aqa s ALA 30 CO 0.17 0.06 1.07 -1.01 0.00 0.00 0.00 175.76 176.04 2aqa s HIS 31 N -1.69 3.06 0.25 0.00 3.76 -1.26 -5.06 115.29 114.35 2aqa s HIS 31 Ca -0.01 1.39 -0.04 0.00 -0.15 0.00 0.00 55.06 56.25 2aqa s HIS 31 Cb -0.08 -2.92 0.06 0.00 1.11 0.00 0.00 32.58 30.76 2aqa s HIS 31 CO 0.01 -1.32 0.22 -0.35 -0.85 0.00 0.00 174.74 172.45 2aqa n PRO 32 N -3.19 -1.45 -2.33 8.40 -0.04 -1.26 -4.93 135.00 130.20 2aqa n PRO 32 Ca 0.08 -0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 62.75 2aqa n PRO 32 Cb 0.54 -0.34 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 2aqa n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqa s ALA 33 N -2.99 3.30 0.17 0.55 0.00 -1.26 -4.96 121.76 116.57 2aqa s ALA 33 Ca 0.15 0.17 -0.34 0.00 0.00 0.00 0.00 51.96 51.93 2aqa s ALA 33 Cb -0.01 -3.81 -0.14 0.00 0.00 0.00 0.00 23.12 19.15 2aqa s ALA 33 CO 0.11 -1.89 1.46 0.54 0.00 0.00 0.00 175.76 175.98 2aqa n ARG 34 N 7.49 1.84 -3.77 0.00 1.74 -1.26 -4.98 116.66 117.72 2aqa n ARG 34 Ca 0.16 0.66 -0.13 0.00 -0.77 0.00 0.00 57.85 57.77 2aqa n ARG 34 Cb 0.46 -2.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.41 2aqa n ARG 34 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2aqa s PHE 35 N 0.51 -0.18 -0.44 -1.55 -0.71 -1.26 -5.08 117.98 109.26 2aqa s PHE 35 Ca 0.77 0.49 0.03 0.00 -1.04 0.00 0.00 56.93 57.18 2aqa s PHE 35 Cb -0.74 -0.01 0.24 0.00 -1.21 0.00 0.00 43.02 41.29 2aqa s PHE 35 CO 0.44 -0.14 0.97 0.45 -1.34 0.00 0.00 175.22 175.59 2aqa n SER 36 N 3.74 -2.47 -0.09 1.98 2.88 -1.26 -5.03 113.62 113.37 2aqa n SER 36 Ca -0.21 -2.61 -0.13 0.00 -1.33 0.00 0.00 58.87 54.60 2aqa n SER 36 Cb 0.55 1.43 -0.05 0.00 -0.75 0.00 0.00 64.21 65.39 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2aqa h PRO 37 N 4.01 0.66 -5.67 -1.46 0.13 -1.98 -3.42 132.00 124.28 2aqa h PRO 37 Ca -0.11 -0.34 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 2aqa h PRO 37 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2aqa h PRO 37 CO 0.09 0.95 1.61 -0.25 -0.23 0.00 0.00 178.00 180.17 2aqa n ASP 38 N -4.31 2.43 -0.07 1.44 8.00 -1.26 -4.57 116.55 118.21 2aqa n ASP 38 Ca -0.04 -0.35 -0.07 0.00 0.71 0.00 0.00 54.79 55.04 2aqa n ASP 38 Cb 0.45 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 39.95 2aqa n ASP 38 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2aqa h ASP 39 N 18.53 0.00 0.00 -2.24 3.32 -1.82 -3.46 116.42 130.75 2aqa h ASP 39 Ca -0.27 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2aqa h ASP 39 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2aqa h ASP 39 CO 1.13 0.82 0.00 1.17 -1.72 0.00 0.00 179.24 180.64 2aqa n LYS 40 N -4.64 0.00 -0.10 3.56 3.00 -1.26 -4.94 118.16 113.79 2aqa n LYS 40 Ca -0.09 0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.07 2aqa n LYS 40 Cb 0.27 -0.23 -0.08 0.00 0.00 0.00 0.00 35.03 34.99 2aqa n LYS 40 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2aqa n TYR 41 N -1.52 0.00 -3.21 5.64 4.11 -1.26 -5.10 117.16 115.81 2aqa n TYR 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2aqa n TYR 41 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 39.34 38.63 2aqa n TYR 41 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 2aqa n SER 42 N -3.46 0.00 0.17 9.48 3.41 -1.26 -4.97 113.62 116.98 2aqa n SER 42 Ca -0.36 -0.94 0.02 0.00 -0.26 0.00 0.00 58.87 57.33 2aqa n SER 42 Cb 0.81 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 65.04 2aqa n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2aqa h ARG 43 N 0.00 0.00 -0.92 4.33 -0.00 -1.91 -3.04 114.38 112.84 2aqa h ARG 43 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.68 2aqa h ARG 43 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.90 2aqa h ARG 43 CO 0.00 0.47 0.60 0.37 0.00 0.00 0.00 179.97 181.42 2aqa h GLN 44 N 0.00 0.43 -0.51 0.04 -0.00 -1.96 0.20 115.11 113.32 2aqa h GLN 44 Ca -0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2aqa h GLN 44 Cb 0.91 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.27 2aqa h GLN 44 CO 0.06 0.28 0.27 -0.09 0.00 0.00 0.00 178.83 179.35 2aqa h ARG 45 N 0.44 0.70 -0.93 1.69 1.12 -1.91 -2.31 114.38 113.17 2aqa h ARG 45 Ca 0.48 -0.07 0.02 0.00 -1.11 0.00 0.00 59.98 59.31 2aqa h ARG 45 Cb 1.16 -0.14 -0.05 0.00 -0.01 0.00 0.00 29.97 30.92 2aqa h ARG 45 CO -0.20 0.52 0.61 0.28 -3.11 0.00 0.00 179.97 178.08 2aqa h VAL 46 N 0.70 1.19 -4.14 0.20 2.07 -0.76 -3.44 116.25 112.08 2aqa h VAL 46 Ca 0.18 -0.42 -0.54 0.00 0.82 0.00 0.00 66.70 66.75 2aqa h VAL 46 Cb 0.03 -0.13 0.18 0.00 -1.52 0.00 0.00 31.29 29.86 2aqa h VAL 46 CO -0.03 0.22 0.29 0.41 0.02 0.00 0.00 177.57 178.48 2aqa n THR 47 N -4.47 2.01 -1.65 2.57 -1.04 -0.87 -4.91 114.28 105.92 2aqa n THR 47 Ca 0.11 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.52 2aqa n THR 47 Cb 0.06 -1.17 0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2aqa n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2aqa n LEU 48 N -3.13 3.73 -1.08 -4.42 -0.00 -1.26 -4.92 117.00 105.92 2aqa n LEU 48 Ca 0.13 0.96 -0.02 0.00 -0.00 0.00 0.00 56.01 57.08 2aqa n LEU 48 Cb 0.50 -1.43 0.20 0.00 -0.00 0.00 0.00 43.42 42.70 2aqa n LEU 48 CO 0.48 -1.31 0.66 0.29 -0.00 0.00 0.00 177.39 177.51 2aqa n LYS 49 N -0.46 1.86 -2.30 1.47 5.02 -1.26 -5.00 118.16 117.47 2aqa n LYS 49 Ca 0.10 -3.18 -0.43 0.00 -2.02 0.00 0.00 58.31 52.79 2aqa n LYS 49 Cb 0.43 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2aqa n LYS 49 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aqa s LYS 50 N -3.22 3.88 0.08 1.97 3.01 -1.26 -4.99 119.74 119.21 2aqa s LYS 50 Ca 0.44 1.42 -0.02 0.00 -1.01 0.00 0.00 55.97 56.80 2aqa s LYS 50 Cb 0.40 -3.93 -0.04 0.00 -1.01 0.00 0.00 37.83 33.25 2aqa s LYS 50 CO -0.01 -1.17 0.02 0.50 0.51 0.00 0.00 175.35 175.21 2aqa s ARG 51 N 4.33 0.74 -1.39 1.68 3.52 -1.26 -4.88 118.95 121.69 2aqa s ARG 51 Ca 0.62 -1.26 -0.09 0.00 -0.13 0.00 0.00 55.73 54.87 2aqa s ARG 51 Cb -0.20 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.46 2aqa s ARG 51 CO 0.25 -0.18 1.07 1.19 -0.81 0.00 0.00 175.30 176.82 2aqa n PHE 52 N 0.03 -2.56 -1.56 5.12 3.01 -1.26 -4.87 117.46 115.37 2aqa n PHE 52 Ca -0.11 0.96 -0.36 0.00 1.01 0.00 0.00 57.45 58.95 2aqa n PHE 52 Cb 0.62 -4.68 -0.04 0.00 -0.01 0.00 0.00 39.48 35.37 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqa n GLY 53 N -1.78 4.52 0.13 1.37 0.00 -1.26 -4.54 105.19 103.63 2aqa n GLY 53 Ca -0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 2aqa n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqa h LEU 54 N 6.00 0.09 -2.42 0.99 3.38 -2.04 -3.48 115.31 117.83 2aqa h LEU 54 Ca 0.71 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.60 2aqa h LEU 54 Cb 0.44 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2aqa h LEU 54 CO 1.44 0.76 -0.04 0.52 0.09 0.00 0.00 178.44 181.21 2aqa n VAL 55 N -3.74 -9.48 -2.13 1.22 0.31 -1.26 -4.90 118.33 98.35 2aqa n VAL 55 Ca -0.02 -0.28 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 2aqa n VAL 55 Cb 0.69 -6.67 -0.03 0.00 -0.91 0.00 0.00 33.84 26.92 2aqa n VAL 55 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2aqa s PRO 56 N -3.07 3.84 0.00 5.55 0.04 -1.26 -4.92 135.00 135.18 2aqa s PRO 56 Ca 0.02 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2aqa s PRO 56 Cb -0.00 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2aqa s PRO 56 CO 0.70 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2aqa n GLY 57 N 4.57 3.18 0.00 0.56 0.00 -1.26 -5.31 105.19 106.94 2aqa n GLY 57 Ca 0.18 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2aqa n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26