#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 1.48 -0.24 2.41 1.43 -1.26 -4.97 118.68 117.54 2aqa s LEU 3 Ca 0.00 0.97 0.14 0.00 -1.03 0.00 0.00 54.13 54.20 2aqa s LEU 3 Cb 0.00 -3.06 0.67 0.00 0.03 0.00 0.00 46.19 43.83 2aqa s LEU 3 CO 0.00 -3.25 1.62 1.15 0.23 0.00 0.00 176.35 176.10 2aqa n MET 4 N -4.23 3.63 -3.62 1.70 0.00 -1.26 -4.90 117.12 108.45 2aqa n MET 4 Ca 0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 57.70 54.71 2aqa n MET 4 Cb 0.58 -2.06 -0.05 0.00 0.00 0.00 0.00 33.22 31.69 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 -2.89 -1.08 0.21 3.17 1.13 -1.26 -2.45 117.35 114.19 2aqa s TYR 5 Ca 0.49 1.99 -0.29 0.00 -1.41 0.00 0.00 57.07 57.85 2aqa s TYR 5 Cb 0.39 0.65 -0.08 0.00 -1.10 0.00 0.00 41.96 41.81 2aqa s TYR 5 CO 0.11 -0.53 0.92 0.95 -2.51 0.00 0.00 175.55 174.49 2aqa s THR 6 N 2.19 4.17 0.35 -3.49 -4.23 -0.04 -4.70 115.64 109.89 2aqa s THR 6 Ca -0.07 2.03 0.02 0.00 -1.18 0.00 0.00 61.69 62.49 2aqa s THR 6 Cb -0.08 -4.30 -0.02 0.00 1.34 0.00 0.00 72.50 69.44 2aqa s THR 6 CO -0.19 0.48 0.53 -0.76 -0.54 0.00 0.00 174.62 174.15 2aqa s LEU 7 N -1.03 3.97 0.00 4.79 1.43 -1.26 -0.10 118.68 126.49 2aqa s LEU 7 Ca 0.41 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2aqa s LEU 7 Cb -0.25 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2aqa s LEU 7 CO 0.31 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.13 2aqa n GLY 8 N -1.77 2.45 0.20 -3.19 0.00 0.79 -4.85 105.19 98.83 2aqa n GLY 8 Ca -0.03 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.42 1.61 0.13 -2.00 -2.88 132.00 128.44 2aqa h PRO 9 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2aqa h PRO 9 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2aqa h PRO 9 CO 0.00 0.32 0.06 -0.40 -0.23 0.00 0.00 178.00 177.75 2aqa n ASP 10 N -3.66 3.67 -0.99 1.44 5.68 -1.26 -4.92 116.55 116.51 2aqa n ASP 10 Ca -0.01 -3.31 -0.08 0.00 -0.50 0.00 0.00 54.79 50.89 2aqa n ASP 10 Cb 0.43 -0.63 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aqa n GLY 11 N -0.64 0.05 3.63 6.12 0.00 -1.09 -4.99 105.19 108.27 2aqa n GLY 11 Ca 0.31 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.49 4.05 0.41 1.61 1.02 -1.26 -4.70 119.74 116.38 2aqa s LYS 12 Ca 0.02 0.78 -0.25 0.00 0.02 0.00 0.00 55.97 56.54 2aqa s LYS 12 Cb -0.01 -3.70 -0.08 0.00 -0.52 0.00 0.00 37.83 33.52 2aqa s LYS 12 CO 0.02 -0.66 1.16 1.03 -0.92 0.00 0.00 175.35 175.98 2aqa s ARG 13 N 3.03 4.00 -0.24 1.68 0.52 -1.26 -0.15 118.95 126.53 2aqa s ARG 13 Ca 0.35 1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 57.34 2aqa s ARG 13 Cb -0.14 -2.61 0.10 0.00 0.52 0.00 0.00 34.95 32.82 2aqa s ARG 13 CO 0.11 -0.36 0.22 0.42 0.02 0.00 0.00 175.30 175.71 2aqa s ILE 14 N -1.45 -0.29 -0.52 1.52 1.01 0.85 -4.93 121.20 117.40 2aqa s ILE 14 Ca 0.58 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 2aqa s ILE 14 Cb -0.30 -0.80 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 2aqa s ILE 14 CO 0.37 -0.37 2.43 -1.22 0.00 0.00 0.00 174.94 176.16 2aqa n TYR 15 N 5.30 1.39 -1.88 3.97 4.02 -1.26 -0.86 117.16 127.83 2aqa n TYR 15 Ca -0.05 0.13 0.05 0.00 -0.01 0.00 0.00 57.90 58.02 2aqa n TYR 15 Cb 0.47 -2.62 0.10 0.00 -0.02 0.00 0.00 39.34 37.27 2aqa n TYR 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2aqa n THR 16 N 7.95 1.01 0.18 -0.72 -1.04 -1.23 -4.81 114.28 115.62 2aqa n THR 16 Ca 0.39 -1.73 0.18 0.00 -2.04 0.00 0.00 64.05 60.84 2aqa n THR 16 Cb 0.50 0.31 0.81 0.00 -1.82 0.00 0.00 70.33 70.13 2aqa n THR 16 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 2aqa h LEU 17 N 0.64 0.00 -2.04 -4.42 8.10 -1.76 -0.37 115.31 115.46 2aqa h LEU 17 Ca -0.08 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.03 2aqa h LEU 17 Cb 1.37 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.58 2aqa h LEU 17 CO 0.03 0.00 0.38 0.11 -4.11 0.00 0.00 178.44 174.85 2aqa h LYS 18 N 0.00 0.00 -0.80 0.17 6.56 -1.88 -0.10 116.57 120.51 2aqa h LYS 18 Ca 0.11 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.92 2aqa h LYS 18 Cb 0.59 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.21 2aqa h LYS 18 CO -0.00 0.00 0.57 1.57 -2.06 0.00 0.00 179.45 179.53 2aqa h LYS 19 N 0.00 0.04 -5.83 3.15 2.10 -1.47 -3.40 116.57 111.16 2aqa h LYS 19 Ca 0.20 -0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.35 2aqa h LYS 19 Cb 0.96 -0.01 -0.22 0.00 -0.90 0.00 0.00 32.23 32.06 2aqa h LYS 19 CO -0.00 0.03 -0.81 0.54 -2.00 0.00 0.00 179.45 177.21 2aqa s VAL 20 N -5.03 1.47 0.55 0.07 0.11 -0.05 -5.16 120.40 112.36 2aqa s VAL 20 Ca -0.05 -1.45 0.08 0.00 -2.93 0.00 0.00 61.98 57.63 2aqa s VAL 20 Cb 0.21 -1.36 0.07 0.00 -1.53 0.00 0.00 36.38 33.77 2aqa s VAL 20 CO 0.76 -0.13 0.76 0.28 -3.33 0.00 0.00 175.10 173.44 2aqa s THR 21 N -1.22 2.35 0.97 5.04 -1.32 -1.26 -4.94 115.64 115.27 2aqa s THR 21 Ca 0.03 -0.95 -0.14 0.00 -1.21 0.00 0.00 61.69 59.43 2aqa s THR 21 Cb -0.10 -2.41 0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2aqa s THR 21 CO 0.03 0.00 0.31 1.21 -2.21 0.00 0.00 174.62 173.96 2aqa n GLU 22 N -2.22 -0.46 -3.65 7.08 2.13 -1.26 -4.95 120.64 117.32 2aqa n GLU 22 Ca 0.14 -0.10 -0.32 0.00 0.66 0.00 0.00 57.16 57.55 2aqa n GLU 22 Cb 0.61 -1.81 -0.08 0.00 0.27 0.00 0.00 31.44 30.43 2aqa n GLU 22 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2aqa n SER 23 N -1.20 3.82 -0.03 4.31 7.64 -1.26 -4.95 113.62 121.95 2aqa n SER 23 Ca 0.06 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.68 2aqa n SER 23 Cb 0.55 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 1.79 0.99 3.69 0.23 0.00 -1.26 -5.13 105.19 105.51 2aqa n GLY 24 Ca 0.23 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2aqa n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aqa s GLU 25 N -2.63 2.16 0.03 1.61 -1.05 -1.26 -5.15 118.70 112.40 2aqa s GLU 25 Ca 0.00 -1.84 0.03 0.00 -0.15 0.00 0.00 54.97 53.01 2aqa s GLU 25 Cb 0.00 -1.93 -0.02 0.00 -0.44 0.00 0.00 34.13 31.74 2aqa s GLU 25 CO 0.00 -0.03 -0.10 -1.50 0.95 0.00 0.00 175.26 174.58 2aqa s ILE 26 N -2.58 0.79 0.13 1.83 2.07 -1.26 -5.16 121.20 117.02 2aqa s ILE 26 Ca 0.38 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 2aqa s ILE 26 Cb 0.03 -0.75 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 2aqa s ILE 26 CO 0.21 -0.09 0.00 0.28 -1.91 0.00 0.00 174.94 173.43 2aqa s THR 27 N -0.87 0.42 0.80 4.00 -1.32 -1.26 -5.17 115.64 112.25 2aqa s THR 27 Ca -0.02 -1.92 -0.07 0.00 -1.21 0.00 0.00 61.69 58.47 2aqa s THR 27 Cb -0.07 -1.92 0.14 0.00 -1.51 0.00 0.00 72.50 69.13 2aqa s THR 27 CO 0.01 -0.62 1.11 -1.59 -2.21 0.00 0.00 174.62 171.32 2aqa s LYS 28 N -3.94 1.39 0.04 7.08 -2.85 -1.26 -5.12 119.74 115.07 2aqa s LYS 28 Ca 0.19 -0.73 -0.18 0.00 -1.00 0.00 0.00 55.97 54.24 2aqa s LYS 28 Cb 0.07 -2.13 0.04 0.00 -2.06 0.00 0.00 37.83 33.74 2aqa s LYS 28 CO -0.00 -1.76 0.42 0.45 0.10 0.00 0.00 175.35 174.56 2aqa s SER 29 N -4.76 -0.30 0.02 0.03 0.15 -1.26 -5.18 113.70 102.40 2aqa s SER 29 Ca 0.68 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 57.22 2aqa s SER 29 Cb -0.06 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2aqa s SER 29 CO 0.47 -0.65 0.31 0.00 1.20 0.00 0.00 173.24 174.57 2aqa s ALA 30 N -2.37 -0.74 -0.45 5.45 0.00 -1.26 -5.10 121.76 117.28 2aqa s ALA 30 Ca -0.06 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2aqa s ALA 30 Cb -0.01 0.20 0.26 0.00 0.00 0.00 0.00 23.12 23.57 2aqa s ALA 30 CO -0.02 -0.34 0.99 1.58 0.00 0.00 0.00 175.76 177.98 2aqa n HIS 31 N 0.91 -2.73 -1.11 0.00 -0.00 -1.26 -5.16 115.22 105.87 2aqa n HIS 31 Ca -0.20 -1.59 -0.29 0.00 0.46 0.00 0.00 57.72 56.10 2aqa n HIS 31 Cb 0.58 1.48 0.22 0.00 -0.12 0.00 0.00 29.99 32.15 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 0.53 -0.67 -0.11 1.57 0.04 -1.26 -5.01 135.00 130.08 2aqa s PRO 32 Ca 0.29 0.13 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 2aqa s PRO 32 Cb 0.24 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 33.09 2aqa s PRO 32 CO -0.20 -3.39 0.57 0.00 0.04 0.00 0.00 177.00 174.03 2aqa s ALA 33 N -3.00 3.44 0.34 8.56 0.00 -1.26 -5.04 121.76 124.80 2aqa s ALA 33 Ca 0.69 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 2aqa s ALA 33 Cb -0.13 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.25 2aqa s ALA 33 CO 0.57 -0.11 0.80 1.03 0.00 0.00 0.00 175.76 178.06 2aqa s ARG 34 N 0.85 2.04 0.03 0.00 1.81 -1.26 -5.17 118.95 117.25 2aqa s ARG 34 Ca 0.30 -1.27 -0.03 0.00 -1.72 0.00 0.00 55.73 53.00 2aqa s ARG 34 Cb -0.16 0.59 -0.04 0.00 -0.45 0.00 0.00 34.95 34.89 2aqa s ARG 34 CO 0.13 -0.95 0.23 -0.59 -0.68 0.00 0.00 175.30 173.44 2aqa s PHE 35 N -2.64 3.54 0.89 -0.53 -0.12 -1.26 -5.09 117.98 112.78 2aqa s PHE 35 Ca 0.15 0.40 -0.10 0.00 -0.05 0.00 0.00 56.93 57.33 2aqa s PHE 35 Cb -0.05 -1.87 0.13 0.00 -0.63 0.00 0.00 43.02 40.60 2aqa s PHE 35 CO 0.10 0.60 1.13 -1.12 -0.05 0.00 0.00 175.22 175.87 2aqa s SER 36 N -2.11 3.20 0.45 1.98 0.01 -1.26 -4.92 113.70 111.06 2aqa s SER 36 Ca 0.31 2.06 0.24 0.00 1.31 0.00 0.00 55.95 59.87 2aqa s SER 36 Cb -0.13 -2.54 1.01 0.00 0.21 0.00 0.00 66.02 64.58 2aqa s SER 36 CO 0.21 -2.90 1.87 1.55 0.41 0.00 0.00 173.24 174.39 2aqa h PRO 37 N -1.73 0.00 -0.56 12.44 0.13 -2.05 -2.53 132.00 137.71 2aqa h PRO 37 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2aqa h PRO 37 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2aqa h PRO 37 CO 0.44 0.23 0.00 -3.47 -0.23 0.00 0.00 178.00 174.97 2aqa n ASP 38 N -3.49 3.04 0.12 1.44 2.03 -1.26 -3.94 116.55 114.49 2aqa n ASP 38 Ca -0.00 -2.18 0.06 0.00 0.52 0.00 0.00 54.79 53.19 2aqa n ASP 38 Cb 0.39 -0.41 0.02 0.00 -0.72 0.00 0.00 41.12 40.40 2aqa n ASP 38 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2aqa h ASP 39 N 2.76 0.00 0.38 1.67 1.82 -1.81 -3.24 116.42 118.00 2aqa h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2aqa h ASP 39 Cb 0.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2aqa h ASP 39 CO 0.10 0.28 0.00 1.17 -1.61 0.00 0.00 179.24 179.18 2aqa n LYS 40 N -2.98 0.49 -0.15 0.28 3.00 -1.25 -3.61 118.16 113.94 2aqa n LYS 40 Ca -0.01 0.03 0.26 0.00 -0.00 0.00 0.00 58.31 58.59 2aqa n LYS 40 Cb 0.67 -1.50 0.70 0.00 0.00 0.00 0.00 35.03 34.90 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 0.04 -1.29 5.64 -0.00 -1.83 -3.38 116.97 116.14 2aqa h TYR 41 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.82 2aqa h TYR 41 Cb 0.19 -0.01 -0.21 0.00 -0.00 0.00 0.00 36.73 36.70 2aqa h TYR 41 CO 0.00 0.01 -0.23 -1.54 -0.00 0.00 0.00 178.16 176.40 2aqa s SER 42 N -5.74 -1.30 0.14 0.10 1.04 -1.24 -5.02 113.70 101.68 2aqa s SER 42 Ca -0.05 1.07 0.13 0.00 0.48 0.00 0.00 55.95 57.58 2aqa s SER 42 Cb 0.21 2.19 -0.10 0.00 0.10 0.00 0.00 66.02 68.43 2aqa s SER 42 CO 0.77 -0.25 1.14 0.03 0.98 0.00 0.00 173.24 175.91 2aqa h ARG 43 N 8.00 0.00 -0.32 4.02 3.08 -1.82 -3.29 114.38 124.06 2aqa h ARG 43 Ca -0.22 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.93 2aqa h ARG 43 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2aqa h ARG 43 CO 0.22 0.57 0.31 -0.56 -1.07 0.00 0.00 179.97 179.44 2aqa h GLN 44 N 0.00 0.00 -0.83 0.04 3.07 -1.96 -0.59 115.11 114.83 2aqa h GLN 44 Ca -0.08 0.00 0.22 0.00 0.09 0.00 0.00 58.65 58.88 2aqa h GLN 44 Cb 1.62 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.13 2aqa h GLN 44 CO 0.08 0.00 0.58 -0.09 0.09 0.00 0.00 178.83 179.49 2aqa h ARG 45 N 0.00 0.12 -0.49 0.06 1.12 -1.98 0.20 114.38 113.41 2aqa h ARG 45 Ca 0.15 -0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.15 2aqa h ARG 45 Cb 0.77 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.69 2aqa h ARG 45 CO -0.00 0.08 0.35 -0.24 -3.11 0.00 0.00 179.97 177.04 2aqa h VAL 46 N 0.12 0.77 -4.00 0.20 3.04 -1.37 -3.42 116.25 111.59 2aqa h VAL 46 Ca 0.41 -0.01 -0.54 0.00 -1.01 0.00 0.00 66.70 65.54 2aqa h VAL 46 Cb 1.43 0.73 0.12 0.00 -2.01 0.00 0.00 31.29 31.56 2aqa h VAL 46 CO -0.06 0.01 0.68 -0.89 -1.01 0.00 0.00 177.57 176.31 2aqa s THR 47 N -5.06 2.09 0.81 3.17 2.01 0.71 -4.95 115.64 114.41 2aqa s THR 47 Ca -0.05 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 2aqa s THR 47 Cb 0.19 -3.04 0.08 0.00 0.01 0.00 0.00 72.50 69.74 2aqa s THR 47 CO 0.73 0.01 1.21 -0.22 -0.69 0.00 0.00 174.62 175.65 2aqa s LEU 48 N -2.85 3.14 0.00 4.42 2.96 -1.26 -5.01 118.68 120.08 2aqa s LEU 48 Ca 0.63 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.90 2aqa s LEU 48 Cb -0.43 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 41.67 2aqa s LEU 48 CO 0.55 -2.67 0.00 1.17 -1.32 0.00 0.00 176.35 174.07 2aqa n LYS 49 N -3.31 0.00 -3.70 1.98 3.00 -1.26 -5.02 118.16 109.85 2aqa n LYS 49 Ca 0.13 0.22 -0.11 0.00 -0.00 0.00 0.00 58.31 58.55 2aqa n LYS 49 Cb 0.50 -0.67 -0.10 0.00 0.00 0.00 0.00 35.03 34.76 2aqa n LYS 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2aqa s LYS 50 N -0.54 0.46 -0.10 1.64 2.20 -1.26 -5.16 119.74 116.99 2aqa s LYS 50 Ca 0.00 0.76 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 2aqa s LYS 50 Cb 0.00 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2aqa s LYS 50 CO 0.00 -0.12 -0.12 -0.98 -0.36 0.00 0.00 175.35 173.77 2aqa s ARG 51 N 0.98 3.02 -0.03 4.03 1.70 -1.26 -4.99 118.95 122.39 2aqa s ARG 51 Ca -0.06 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.58 2aqa s ARG 51 Cb -0.06 -2.57 -0.04 0.00 -0.57 0.00 0.00 34.95 31.71 2aqa s ARG 51 CO -0.08 0.43 0.01 1.97 -1.08 0.00 0.00 175.30 176.54 2aqa n PHE 52 N 2.91 0.00 0.00 5.89 1.16 -1.26 -5.04 117.46 121.12 2aqa n PHE 52 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.40 2aqa n PHE 52 Cb 0.53 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2aqa n GLY 53 N 2.84 1.76 3.06 4.97 0.00 -1.26 -4.65 105.19 111.92 2aqa n GLY 53 Ca -0.05 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2aqa n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqa s LEU 54 N 0.00 3.55 0.82 0.99 2.96 -1.26 -5.11 118.68 120.63 2aqa s LEU 54 Ca 0.00 -1.47 -0.15 0.00 -0.22 0.00 0.00 54.13 52.29 2aqa s LEU 54 Cb 0.00 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2aqa s LEU 54 CO 0.00 -0.21 0.41 1.33 -1.32 0.00 0.00 176.35 176.55 2aqa n VAL 55 N 4.42 0.99 -1.26 1.68 0.24 -1.26 -4.95 118.33 118.20 2aqa n VAL 55 Ca -0.12 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.34 61.55 2aqa n VAL 55 Cb 0.42 -0.65 0.09 0.00 -1.47 0.00 0.00 33.84 32.24 2aqa n VAL 55 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2aqa s PRO 56 N -3.03 2.20 0.07 7.34 0.04 -1.26 -5.01 135.00 135.35 2aqa s PRO 56 Ca 0.61 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2aqa s PRO 56 Cb -0.29 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2aqa s PRO 56 CO 0.63 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2aqa n GLY 57 N -1.21 -0.23 0.00 0.56 0.00 -1.26 -5.29 105.19 97.76 2aqa n GLY 57 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93