#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 4.36 -0.21 2.41 1.43 -1.26 -4.96 118.68 120.46 2aqa s LEU 3 Ca 0.00 1.16 0.15 0.00 -1.03 0.00 0.00 54.13 54.41 2aqa s LEU 3 Cb 0.00 -3.00 0.49 0.00 0.03 0.00 0.00 46.19 43.71 2aqa s LEU 3 CO 0.00 -0.02 1.39 0.23 0.23 0.00 0.00 176.35 178.18 2aqa n MET 4 N 3.33 2.35 -3.63 1.70 2.81 -1.26 -4.84 117.12 117.59 2aqa n MET 4 Ca -0.04 -2.91 -0.04 0.00 -1.81 0.00 0.00 57.70 52.90 2aqa n MET 4 Cb 0.51 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 2aqa n MET 4 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2aqa s TYR 5 N -2.97 -0.82 0.29 2.03 1.13 -1.26 -1.26 117.35 114.49 2aqa s TYR 5 Ca 0.41 1.61 -0.26 0.00 -1.41 0.00 0.00 57.07 57.42 2aqa s TYR 5 Cb 0.35 0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 41.61 2aqa s TYR 5 CO 0.05 -0.41 0.92 0.95 -2.51 0.00 0.00 175.55 174.55 2aqa s THR 6 N 1.62 4.21 -0.02 -3.49 -4.23 0.59 -4.68 115.64 109.64 2aqa s THR 6 Ca -0.09 1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 2aqa s THR 6 Cb -0.05 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2aqa s THR 6 CO -0.17 0.26 0.10 -0.76 -0.54 0.00 0.00 174.62 173.50 2aqa s LEU 7 N -1.78 4.01 0.00 4.79 1.43 -1.26 -0.11 118.68 125.76 2aqa s LEU 7 Ca 0.47 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2aqa s LEU 7 Cb -0.21 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.72 2aqa s LEU 7 CO 0.26 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.73 2aqa n GLY 8 N 1.26 0.39 0.17 -3.19 0.00 0.85 -4.83 105.19 99.84 2aqa n GLY 8 Ca -0.13 -1.86 0.02 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 -0.40 1.61 0.13 -2.00 -2.95 132.00 128.39 2aqa h PRO 9 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2aqa h PRO 9 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2aqa h PRO 9 CO 0.00 0.44 0.05 -3.47 -0.23 0.00 0.00 178.00 174.79 2aqa n ASP 10 N -3.87 3.72 -0.03 1.44 2.03 -1.26 -4.90 116.55 113.67 2aqa n ASP 10 Ca -0.01 -3.28 -0.00 0.00 0.52 0.00 0.00 54.79 52.02 2aqa n ASP 10 Cb 0.48 -0.62 -0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 -0.61 0.42 3.59 0.27 0.00 -1.11 -4.97 105.19 102.77 2aqa n GLY 11 Ca 0.29 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.93 3.13 0.39 1.61 1.02 -1.26 -4.58 119.74 118.13 2aqa s LYS 12 Ca 0.00 1.33 -0.25 0.00 0.02 0.00 0.00 55.97 57.07 2aqa s LYS 12 Cb 0.00 -4.26 -0.09 0.00 -0.52 0.00 0.00 37.83 32.96 2aqa s LYS 12 CO 0.00 -2.10 1.15 1.03 -0.92 0.00 0.00 175.35 174.50 2aqa s ARG 13 N 6.09 4.10 -0.21 1.68 0.52 -1.26 -0.11 118.95 129.76 2aqa s ARG 13 Ca 0.80 1.78 -0.04 0.00 -0.52 0.00 0.00 55.73 57.76 2aqa s ARG 13 Cb -0.21 -2.68 0.10 0.00 0.52 0.00 0.00 34.95 32.68 2aqa s ARG 13 CO 0.31 -0.26 0.24 0.42 0.02 0.00 0.00 175.30 176.03 2aqa s ILE 14 N -1.44 -0.35 -0.23 1.52 1.01 0.85 -4.94 121.20 117.62 2aqa s ILE 14 Ca 0.57 -0.14 -0.36 0.00 0.00 0.00 0.00 60.65 60.71 2aqa s ILE 14 Cb -0.29 -0.71 -0.12 0.00 0.01 0.00 0.00 42.46 41.34 2aqa s ILE 14 CO 0.37 -0.22 1.96 -1.22 0.00 0.00 0.00 174.94 175.83 2aqa n TYR 15 N 5.32 2.02 -2.15 3.97 4.01 -1.26 -0.30 117.16 128.77 2aqa n TYR 15 Ca -0.05 0.21 0.02 0.00 -0.16 0.00 0.00 57.90 57.92 2aqa n TYR 15 Cb 0.49 -2.58 0.01 0.00 -0.31 0.00 0.00 39.34 36.96 2aqa n TYR 15 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2aqa n THR 16 N 5.80 0.09 -0.18 -0.72 5.66 -0.56 -4.86 114.28 119.51 2aqa n THR 16 Ca 0.30 -0.48 0.23 0.00 -3.05 0.00 0.00 64.05 61.05 2aqa n THR 16 Cb 0.24 0.65 0.63 0.00 -1.55 0.00 0.00 70.33 70.30 2aqa n THR 16 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 2aqa h LEU 17 N 0.38 0.17 -1.98 1.09 8.10 -1.49 0.20 115.31 121.78 2aqa h LEU 17 Ca -0.08 0.02 0.18 0.00 0.11 0.00 0.00 57.88 58.11 2aqa h LEU 17 Cb 1.56 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 41.74 2aqa h LEU 17 CO 0.04 0.07 0.46 0.07 -4.11 0.00 0.00 178.44 174.96 2aqa h LYS 18 N 0.17 0.02 -6.16 0.17 -0.00 -1.89 -3.41 116.57 105.47 2aqa h LYS 18 Ca 0.42 -0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 60.41 2aqa h LYS 18 Cb 1.39 -0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.62 2aqa h LYS 18 CO -0.08 0.01 1.14 1.17 -0.00 0.00 0.00 179.45 181.70 2aqa n LYS 19 N -4.35 1.66 -4.18 0.07 4.81 0.71 -4.95 118.16 111.91 2aqa n LYS 19 Ca 0.12 0.58 -0.16 0.00 -0.87 0.00 0.00 58.31 57.97 2aqa n LYS 19 Cb 0.70 -2.49 -0.15 0.00 0.02 0.00 0.00 35.03 33.11 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 4.88 0.45 -0.10 3.15 1.01 -1.26 -5.03 120.40 123.50 2aqa s VAL 20 Ca 0.98 -0.23 0.18 0.00 0.00 0.00 0.00 61.98 62.91 2aqa s VAL 20 Cb -0.81 -0.39 -0.26 0.00 0.00 0.00 0.00 36.38 34.91 2aqa s VAL 20 CO 0.54 0.13 0.25 1.07 0.00 0.00 0.00 175.10 177.10 2aqa n THR 21 N 3.03 0.56 -3.46 3.92 5.66 -1.26 -5.04 114.28 117.69 2aqa n THR 21 Ca -0.14 -0.58 -0.17 0.00 -3.05 0.00 0.00 64.05 60.10 2aqa n THR 21 Cb 0.57 -0.21 0.02 0.00 -1.55 0.00 0.00 70.33 69.16 2aqa n THR 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2aqa n GLU 22 N -2.39 -1.41 -0.83 1.09 1.02 -1.26 -4.88 120.64 111.98 2aqa n GLU 22 Ca -0.15 0.94 -0.07 0.00 -0.02 0.00 0.00 57.16 57.86 2aqa n GLU 22 Cb 0.77 -4.35 0.23 0.00 -0.02 0.00 0.00 31.44 28.07 2aqa n GLU 22 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2aqa n SER 23 N -2.37 4.15 0.00 1.62 7.64 -1.26 -5.00 113.62 118.40 2aqa n SER 23 Ca -0.12 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.77 2aqa n SER 23 Cb 0.59 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.15 0.45 3.55 0.23 0.00 -1.26 -5.06 105.19 102.94 2aqa n GLY 24 Ca 0.34 -1.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.76 0.54 0.01 1.61 2.12 -1.26 -5.16 118.70 115.80 2aqa s GLU 25 Ca 0.00 1.29 0.04 0.00 0.36 0.00 0.00 54.97 56.66 2aqa s GLU 25 Cb 0.00 0.59 -0.01 0.00 0.26 0.00 0.00 34.13 34.96 2aqa s GLU 25 CO 0.00 -0.20 -0.12 -1.50 -0.54 0.00 0.00 175.26 172.90 2aqa s ILE 26 N 2.54 0.95 0.20 -3.70 2.07 -1.26 -5.15 121.20 116.85 2aqa s ILE 26 Ca -0.06 -0.72 -0.23 0.00 -1.41 0.00 0.00 60.65 58.23 2aqa s ILE 26 Cb -0.11 -0.83 0.05 0.00 0.13 0.00 0.00 42.46 41.70 2aqa s ILE 26 CO -0.17 0.11 0.75 0.28 -1.91 0.00 0.00 174.94 173.99 2aqa s THR 27 N -0.57 0.00 -0.17 4.00 -1.32 -1.26 -5.15 115.64 111.17 2aqa s THR 27 Ca 0.02 -0.59 -0.01 0.00 -1.21 0.00 0.00 61.69 59.90 2aqa s THR 27 Cb -0.06 -1.65 0.05 0.00 -1.51 0.00 0.00 72.50 69.32 2aqa s THR 27 CO 0.00 0.00 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.63 2aqa s LYS 28 N -3.69 1.21 0.16 7.08 2.20 -1.26 -5.13 119.74 120.32 2aqa s LYS 28 Ca 0.08 -0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2aqa s LYS 28 Cb -0.03 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.25 2aqa s LYS 28 CO -0.00 -0.48 0.06 0.45 -0.36 0.00 0.00 175.35 175.02 2aqa s SER 29 N 1.69 0.49 0.33 1.43 0.15 -1.26 -5.18 113.70 111.35 2aqa s SER 29 Ca 0.00 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.44 2aqa s SER 29 Cb -0.16 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 2aqa s SER 29 CO -0.07 -0.72 0.12 0.00 1.20 0.00 0.00 173.24 173.76 2aqa s ALA 30 N -3.98 2.29 -0.40 5.45 0.00 -1.26 -5.12 121.76 118.74 2aqa s ALA 30 Ca 0.27 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.54 2aqa s ALA 30 Cb 0.07 0.91 0.25 0.00 0.00 0.00 0.00 23.12 24.35 2aqa s ALA 30 CO 0.05 -0.41 1.07 1.58 0.00 0.00 0.00 175.76 178.05 2aqa n HIS 31 N -0.68 -1.76 -1.11 0.00 -0.00 -1.26 -5.17 115.22 105.24 2aqa n HIS 31 Ca -0.02 -1.10 -0.29 0.00 0.46 0.00 0.00 57.72 56.77 2aqa n HIS 31 Cb 0.66 1.28 0.22 0.00 -0.12 0.00 0.00 29.99 32.02 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2aqa s PRO 32 N 0.46 -0.60 -0.25 1.57 0.04 -1.26 -5.05 135.00 129.91 2aqa s PRO 32 Ca 0.28 0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.50 2aqa s PRO 32 Cb 0.19 -1.65 0.06 0.00 0.04 0.00 0.00 34.50 33.14 2aqa s PRO 32 CO -0.14 -3.35 -0.09 0.00 0.04 0.00 0.00 177.00 173.47 2aqa s ALA 33 N -2.99 2.33 -0.12 8.56 0.00 -1.26 -5.08 121.76 123.19 2aqa s ALA 33 Ca 0.69 -1.61 -0.34 0.00 0.00 0.00 0.00 51.96 50.70 2aqa s ALA 33 Cb -0.13 -1.53 -0.11 0.00 0.00 0.00 0.00 23.12 21.35 2aqa s ALA 33 CO 0.57 -1.20 1.93 -2.13 0.00 0.00 0.00 175.76 174.93 2aqa n ARG 34 N 4.53 2.06 -4.21 0.00 0.00 -1.26 -4.96 116.66 112.81 2aqa n ARG 34 Ca -0.13 0.73 -0.27 0.00 -0.00 0.00 0.00 57.85 58.19 2aqa n ARG 34 Cb 0.43 -2.67 -0.06 0.00 0.00 0.00 0.00 32.46 30.16 2aqa n ARG 34 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2aqa s PHE 35 N 4.68 2.28 -0.39 -0.14 -0.12 -1.26 -5.03 117.98 118.00 2aqa s PHE 35 Ca 0.95 -0.71 -0.34 0.00 -0.05 0.00 0.00 56.93 56.78 2aqa s PHE 35 Cb -0.69 -1.88 -0.12 0.00 -0.63 0.00 0.00 43.02 39.70 2aqa s PHE 35 CO 0.51 0.07 2.23 -1.13 -0.05 0.00 0.00 175.22 176.85 2aqa n SER 36 N -1.34 2.04 -0.08 1.98 3.41 -1.26 -4.82 113.62 113.55 2aqa n SER 36 Ca -0.04 0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.80 2aqa n SER 36 Cb 0.65 -1.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.35 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 12.80 0.82 -6.30 4.33 0.13 -2.02 -3.43 132.00 138.33 2aqa h PRO 37 Ca -0.26 -0.43 -0.54 0.00 -0.87 0.00 0.00 66.00 63.90 2aqa h PRO 37 Cb 1.32 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 2aqa h PRO 37 CO 1.05 1.07 1.10 -0.51 -0.23 0.00 0.00 178.00 180.47 2aqa s ASP 38 N -6.85 6.63 0.24 1.44 1.01 -1.26 -4.88 116.67 113.00 2aqa s ASP 38 Ca -0.10 2.33 0.19 0.00 0.71 0.00 0.00 52.55 55.68 2aqa s ASP 38 Cb 0.11 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.57 2aqa s ASP 38 CO 0.86 -0.94 1.23 0.44 0.21 0.00 0.00 175.17 176.97 2aqa h ASP 39 N 9.56 0.00 0.23 0.27 3.32 -2.02 -3.24 116.42 124.54 2aqa h ASP 39 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2aqa h ASP 39 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2aqa h ASP 39 CO 0.95 0.29 0.00 1.17 -1.72 0.00 0.00 179.24 179.93 2aqa n LYS 40 N -2.98 0.74 -0.18 3.56 3.00 -1.26 -3.75 118.16 117.29 2aqa n LYS 40 Ca -0.01 0.00 0.26 0.00 -0.00 0.00 0.00 58.31 58.56 2aqa n LYS 40 Cb 0.67 -1.50 0.67 0.00 0.00 0.00 0.00 35.03 34.88 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.40 177.50 2aqa h TYR 41 N 0.00 0.12 -0.80 5.64 -0.00 -1.96 0.23 116.97 120.20 2aqa h TYR 41 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 58.23 2aqa h TYR 41 Cb 0.12 -0.04 -0.24 0.00 -0.00 0.00 0.00 36.73 36.57 2aqa h TYR 41 CO 0.00 0.03 0.65 0.45 -0.00 0.00 0.00 178.16 179.29 2aqa n SER 42 N -4.33 6.04 0.22 0.10 2.88 -1.25 -4.46 113.62 112.82 2aqa n SER 42 Ca 0.18 -3.44 0.09 0.00 -1.33 0.00 0.00 58.87 54.37 2aqa n SER 42 Cb 0.88 -0.93 0.47 0.00 -0.75 0.00 0.00 64.21 63.88 2aqa n SER 42 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2aqa h ARG 43 N 1.47 0.00 -0.32 -1.46 0.11 -0.83 -2.88 114.38 110.47 2aqa h ARG 43 Ca 0.50 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.67 2aqa h ARG 43 Cb 1.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.47 2aqa h ARG 43 CO 1.15 0.26 0.32 0.37 0.10 0.00 0.00 179.97 182.17 2aqa h GLN 44 N 0.00 0.00 -0.83 0.08 5.75 -1.83 -0.56 115.11 117.72 2aqa h GLN 44 Ca -0.00 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.72 2aqa h GLN 44 Cb 0.71 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 2aqa h GLN 44 CO 0.03 0.00 0.58 0.07 -2.65 0.00 0.00 178.83 176.87 2aqa h ARG 45 N 0.00 0.13 -0.96 1.69 0.11 -1.88 0.02 114.38 113.49 2aqa h ARG 45 Ca 0.15 -0.01 0.17 0.00 0.10 0.00 0.00 59.98 60.39 2aqa h ARG 45 Cb 0.80 -0.03 -0.10 0.00 1.11 0.00 0.00 29.97 31.75 2aqa h ARG 45 CO -0.00 0.09 0.56 0.28 0.10 0.00 0.00 179.97 181.00 2aqa h VAL 46 N 0.13 0.75 -3.84 0.08 2.07 -1.34 -3.42 116.25 110.69 2aqa h VAL 46 Ca 0.41 -0.26 -0.51 0.00 0.82 0.00 0.00 66.70 67.16 2aqa h VAL 46 Cb 1.41 -0.08 0.21 0.00 -1.52 0.00 0.00 31.29 31.31 2aqa h VAL 46 CO -0.06 0.14 -0.07 0.35 0.02 0.00 0.00 177.57 177.95 2aqa n THR 47 N -4.77 0.00 -3.24 2.57 -2.24 -0.01 -5.04 114.28 101.55 2aqa n THR 47 Ca 0.21 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 2aqa n THR 47 Cb 0.50 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 2aqa n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2aqa s LEU 48 N -5.08 -0.19 -0.14 3.22 1.98 -1.26 -5.10 118.68 112.11 2aqa s LEU 48 Ca 0.64 0.26 -0.34 0.00 -2.89 0.00 0.00 54.13 51.80 2aqa s LEU 48 Cb -0.22 1.21 -0.11 0.00 0.66 0.00 0.00 46.19 47.73 2aqa s LEU 48 CO 0.62 -0.04 1.94 1.17 -1.89 0.00 0.00 176.35 178.15 2aqa n LYS 49 N 4.63 1.99 -0.03 1.98 0.00 -1.26 -4.81 118.16 120.66 2aqa n LYS 49 Ca -0.07 0.70 -0.03 0.00 0.00 0.00 0.00 58.31 58.91 2aqa n LYS 49 Cb 0.55 -2.64 -0.04 0.00 0.00 0.00 0.00 35.03 32.89 2aqa n LYS 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2aqa n LYS 50 N 6.95 3.06 -1.69 1.64 4.81 -1.26 -5.04 118.16 126.64 2aqa n LYS 50 Ca 0.26 -0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.31 2aqa n LYS 50 Cb 0.29 -1.14 0.05 0.00 0.02 0.00 0.00 35.03 34.25 2aqa n LYS 50 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2aqa n ARG 51 N -2.21 1.33 0.08 1.64 3.00 -1.26 -4.93 116.66 114.31 2aqa n ARG 51 Ca -0.09 0.50 -0.14 0.00 -0.01 0.00 0.00 57.85 58.10 2aqa n ARG 51 Cb 0.68 -2.39 -0.14 0.00 0.00 0.00 0.00 32.46 30.62 2aqa n ARG 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2aqa h PHE 52 N 1.02 0.38 -4.01 -1.55 0.04 -2.04 -3.48 116.94 107.30 2aqa h PHE 52 Ca -0.49 -0.28 -0.41 0.00 2.80 0.00 0.00 57.97 59.59 2aqa h PHE 52 Cb 1.33 -0.02 0.04 0.00 2.20 0.00 0.00 35.95 39.50 2aqa h PHE 52 CO 0.42 1.24 -0.59 0.41 -0.60 0.00 0.00 178.31 179.19 2aqa n GLY 53 N 1.53 -0.52 0.06 -1.45 0.00 -1.26 -4.87 105.19 98.68 2aqa n GLY 53 Ca -0.09 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2aqa n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aqa n LEU 54 N -3.73 0.00 -3.08 0.99 7.94 -1.26 -5.06 117.00 112.80 2aqa n LEU 54 Ca -0.16 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.73 2aqa n LEU 54 Cb 0.64 0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.91 2aqa n LEU 54 CO 0.42 0.32 0.32 0.52 -1.11 0.00 0.00 177.39 177.85 2aqa n VAL 55 N -2.50-10.02 0.33 1.96 0.31 -1.26 -4.89 118.33 102.27 2aqa n VAL 55 Ca -0.22 -0.30 0.15 0.00 -0.01 0.00 0.00 64.34 63.96 2aqa n VAL 55 Cb 0.91 -6.85 0.61 0.00 -0.91 0.00 0.00 33.84 27.60 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 0.36 0.00 0.00 5.55 0.13 -2.02 -3.48 132.00 132.54 2aqa h PRO 56 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aqa h PRO 56 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2aqa h PRO 56 CO 0.31 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.49 2aqa n GLY 57 N -0.01 2.95 0.03 1.56 0.00 -1.26 -5.31 105.19 103.14 2aqa n GLY 57 Ca 0.01 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.57 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14