#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 -0.36 2.39 1.02 -1.26 -4.99 118.68 119.84 2aqa s LEU 3 Ca 0.00 0.71 0.08 0.00 0.02 0.00 0.00 54.13 54.94 2aqa s LEU 3 Cb 0.00 -2.87 0.72 0.00 0.02 0.00 0.00 46.19 44.06 2aqa s LEU 3 CO 0.00 0.20 1.83 0.23 0.02 0.00 0.00 176.35 178.63 2aqa n MET 4 N 0.99 3.26 -3.64 1.70 2.81 -1.26 -4.88 117.12 116.10 2aqa n MET 4 Ca -0.09 -3.00 -0.07 0.00 -1.81 0.00 0.00 57.70 52.73 2aqa n MET 4 Cb 0.52 -2.20 -0.07 0.00 -0.71 0.00 0.00 33.22 30.77 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 -3.03 -0.71 0.71 2.03 1.13 -1.26 -3.77 117.35 112.44 2aqa s TYR 5 Ca 0.55 1.53 -0.11 0.00 -1.41 0.00 0.00 57.07 57.62 2aqa s TYR 5 Cb 0.45 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.74 2aqa s TYR 5 CO 0.13 -0.35 1.10 0.95 -2.51 0.00 0.00 175.55 174.87 2aqa s THR 6 N 1.02 3.46 0.15 -3.49 -4.23 -0.70 -4.76 115.64 107.09 2aqa s THR 6 Ca -0.05 0.47 0.07 0.00 -1.18 0.00 0.00 61.69 61.01 2aqa s THR 6 Cb -0.05 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 2aqa s THR 6 CO -0.12 -0.62 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.54 2aqa s LEU 7 N -5.38 3.20 0.00 4.79 1.43 -1.26 -0.09 118.68 121.37 2aqa s LEU 7 Ca 0.58 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2aqa s LEU 7 Cb -0.11 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2aqa s LEU 7 CO 0.52 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.83 2aqa n GLY 8 N 0.15 1.24 0.20 -3.19 0.00 0.48 -4.84 105.19 99.24 2aqa n GLY 8 Ca -0.11 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 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 0.36 -0.42 1.61 0.13 -2.01 -3.07 132.00 128.59 2aqa h PRO 9 Ca 0.00 -0.19 -0.13 0.00 -0.87 0.00 0.00 66.00 64.81 2aqa h PRO 9 Cb 0.00 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 2aqa h PRO 9 CO 0.00 0.74 0.06 -3.47 -0.23 0.00 0.00 178.00 175.10 2aqa n ASP 10 N -4.00 3.59 -0.48 1.44 2.03 -1.26 -4.91 116.55 112.97 2aqa n ASP 10 Ca -0.02 -3.34 -0.03 0.00 0.52 0.00 0.00 54.79 51.92 2aqa n ASP 10 Cb 0.52 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.69 0.37 3.55 0.27 0.00 -1.16 -5.01 105.19 102.52 2aqa n GLY 11 Ca 0.31 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.39 3.47 0.53 1.61 -0.14 -1.26 -4.67 119.74 114.89 2aqa s LYS 12 Ca 0.02 -0.05 -0.22 0.00 -1.36 0.00 0.00 55.97 54.36 2aqa s LYS 12 Cb -0.01 -3.91 -0.06 0.00 -1.68 0.00 0.00 37.83 32.17 2aqa s LYS 12 CO 0.02 -1.04 1.33 2.89 -0.76 0.00 0.00 175.35 177.79 2aqa n ARG 13 N 6.60 1.71 -3.45 1.68 0.00 -1.26 -0.39 116.66 121.55 2aqa n ARG 13 Ca 0.02 0.62 -0.19 0.00 -0.00 0.00 0.00 57.85 58.31 2aqa n ARG 13 Cb 0.48 -2.53 -0.11 0.00 -0.00 0.00 0.00 32.46 30.30 2aqa n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2aqa s ILE 14 N -1.28 -0.35 -0.37 8.89 1.01 0.87 -4.88 121.20 125.09 2aqa s ILE 14 Ca 0.70 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.69 2aqa s ILE 14 Cb -0.43 -0.88 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 2aqa s ILE 14 CO 0.51 -0.40 2.32 -1.22 0.00 0.00 0.00 174.94 176.14 2aqa n TYR 15 N 5.31 1.66 -2.14 3.97 4.01 -1.26 -1.71 117.16 126.99 2aqa n TYR 15 Ca -0.04 0.03 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 2aqa n TYR 15 Cb 0.47 -2.66 -0.01 0.00 -0.31 0.00 0.00 39.34 36.82 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 7.80 0.00 -1.62 -0.72 5.66 -1.26 -4.97 114.28 119.17 2aqa n THR 16 Ca 0.35 -0.28 -0.45 0.00 -3.05 0.00 0.00 64.05 60.62 2aqa n THR 16 Cb 0.45 0.53 -0.02 0.00 -1.55 0.00 0.00 70.33 69.75 2aqa n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2aqa n LEU 17 N 0.14 2.33 -0.01 1.09 -0.00 -1.25 -4.85 117.00 114.46 2aqa n LEU 17 Ca -0.06 1.18 0.10 0.00 -0.00 0.00 0.00 56.01 57.22 2aqa n LEU 17 Cb 0.78 -1.34 0.52 0.00 -0.00 0.00 0.00 43.42 43.38 2aqa n LEU 17 CO -0.05 -1.06 1.17 0.11 -0.00 0.00 0.00 177.39 177.56 2aqa h LYS 18 N 2.61 0.35 -6.83 1.47 1.57 -1.94 -3.42 116.57 110.38 2aqa h LYS 18 Ca -0.42 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 2aqa h LYS 18 Cb 1.32 -0.08 0.09 0.00 0.08 0.00 0.00 32.23 33.64 2aqa h LYS 18 CO 0.64 0.23 0.88 0.21 -0.57 0.00 0.00 179.45 180.84 2aqa s LYS 19 N -5.34 4.11 -0.04 3.15 2.47 -1.26 -5.01 119.74 117.81 2aqa s LYS 19 Ca -0.07 2.60 0.04 0.00 -1.56 0.00 0.00 55.97 56.98 2aqa s LYS 19 Cb 0.19 -3.01 -0.00 0.00 -1.46 0.00 0.00 37.83 33.55 2aqa s LYS 19 CO 0.73 -0.64 -0.16 0.54 0.16 0.00 0.00 175.35 175.98 2aqa s VAL 20 N -0.19 1.37 0.32 4.02 0.11 -1.26 -5.03 120.40 119.74 2aqa s VAL 20 Ca 0.62 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 2aqa s VAL 20 Cb -0.48 -1.18 0.28 0.00 -1.53 0.00 0.00 36.38 33.47 2aqa s VAL 20 CO 0.51 0.40 1.95 0.00 -3.33 0.00 0.00 175.10 174.62 2aqa h THR 21 N 5.30 1.10 -4.14 5.04 1.03 -1.98 -3.43 112.91 115.83 2aqa h THR 21 Ca -0.32 -0.33 -0.54 0.00 -0.01 0.00 0.00 66.41 65.20 2aqa h THR 21 Cb 1.17 0.05 0.15 0.00 -1.07 0.00 0.00 68.15 68.45 2aqa h THR 21 CO 0.48 0.18 0.45 -1.61 -0.01 0.00 0.00 175.52 175.00 2aqa s GLU 22 N -5.84 2.43 0.06 0.00 0.41 -1.26 -4.95 118.70 109.55 2aqa s GLU 22 Ca -0.11 1.88 -0.15 0.00 -0.41 0.00 0.00 54.97 56.17 2aqa s GLU 22 Cb 0.19 -1.85 -0.23 0.00 -1.78 0.00 0.00 34.13 30.46 2aqa s GLU 22 CO 0.79 -1.64 1.18 0.77 -0.49 0.00 0.00 175.26 175.86 2aqa h SER 23 N 0.20 0.83 0.00 -0.19 0.02 -2.06 -3.49 113.55 108.86 2aqa h SER 23 Ca -0.49 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 59.73 2aqa h SER 23 Cb 1.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2aqa h SER 23 CO 0.52 1.45 0.00 0.61 -1.14 0.00 0.00 176.83 178.27 2aqa n GLY 24 N 1.04 2.40 3.64 -3.77 0.00 -1.26 -5.08 105.19 102.17 2aqa n GLY 24 Ca -0.11 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 44.86 2aqa n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aqa n GLU 25 N 0.00 2.28 -0.01 1.61 2.13 -1.26 -4.85 120.64 120.54 2aqa n GLU 25 Ca 0.00 0.80 -0.12 0.00 0.66 0.00 0.00 57.16 58.50 2aqa n GLU 25 Cb 0.00 -2.85 -0.14 0.00 0.27 0.00 0.00 31.44 28.72 2aqa n GLU 25 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2aqa n ILE 26 N 5.89 1.66 -3.79 6.31 3.06 -1.26 -4.90 119.36 126.33 2aqa n ILE 26 Ca 0.25 -0.76 -0.15 0.00 -2.50 0.00 0.00 62.75 59.59 2aqa n ILE 26 Cb 0.35 -1.23 -0.16 0.00 0.54 0.00 0.00 39.64 39.15 2aqa n ILE 26 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2aqa s THR 27 N -2.59 -0.04 -0.22 9.51 -1.32 -1.26 -5.14 115.64 114.58 2aqa s THR 27 Ca -0.09 0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.46 2aqa s THR 27 Cb 0.08 -0.08 -0.05 0.00 -1.51 0.00 0.00 72.50 70.94 2aqa s THR 27 CO 0.81 0.08 0.19 -0.75 -2.21 0.00 0.00 174.62 172.75 2aqa s LYS 28 N 0.94 4.12 -0.33 7.08 2.20 -1.26 -4.97 119.74 127.52 2aqa s LYS 28 Ca -0.08 -0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.44 2aqa s LYS 28 Cb -0.11 -3.51 0.64 0.00 -1.51 0.00 0.00 37.83 33.33 2aqa s LYS 28 CO -0.03 0.10 1.70 0.43 -0.36 0.00 0.00 175.35 177.20 2aqa n SER 29 N 4.14 3.84 -4.87 1.43 7.64 -1.26 -4.97 113.62 119.56 2aqa n SER 29 Ca -0.14 -3.44 -0.31 0.00 1.01 0.00 0.00 58.87 55.99 2aqa n SER 29 Cb 0.52 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 2aqa n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqa s ALA 30 N -3.12 3.85 0.48 -0.43 0.00 -1.26 -4.98 121.76 116.30 2aqa s ALA 30 Ca 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2aqa s ALA 30 Cb 0.43 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2aqa s ALA 30 CO 0.09 0.80 0.00 0.72 0.00 0.00 0.00 175.76 177.36 2aqa n HIS 31 N 0.39 -3.31 -0.80 0.00 8.25 -1.26 -4.96 115.22 113.52 2aqa n HIS 31 Ca -0.07 1.81 -0.17 0.00 -0.26 0.00 0.00 57.72 59.03 2aqa n HIS 31 Cb 0.51 -2.93 0.14 0.00 1.12 0.00 0.00 29.99 28.84 2aqa n HIS 31 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2aqa n PRO 32 N -2.95 -2.22 -1.68 -0.41 -0.04 -1.26 -4.96 135.00 121.49 2aqa n PRO 32 Ca -0.03 -0.98 -0.40 0.00 -0.04 0.00 0.00 63.50 62.05 2aqa n PRO 32 Cb 0.45 -0.92 0.03 0.00 -0.04 0.00 0.00 33.50 33.02 2aqa n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqa n ALA 33 N -4.05 0.97 -1.52 0.55 0.00 -1.26 -4.80 120.51 110.40 2aqa n ALA 33 Ca -0.12 0.18 -0.48 0.00 0.00 0.00 0.00 53.44 53.02 2aqa n ALA 33 Cb 0.33 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2aqa n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2aqa n ARG 34 N -0.37 1.45 -0.66 0.00 0.63 -1.26 -4.91 116.66 111.54 2aqa n ARG 34 Ca 0.09 0.42 -0.31 0.00 -0.92 0.00 0.00 57.85 57.13 2aqa n ARG 34 Cb 0.42 -2.69 0.18 0.00 0.45 0.00 0.00 32.46 30.82 2aqa n ARG 34 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2aqa n PHE 35 N 9.87 -0.60 -1.84 -0.14 1.16 -1.26 -4.98 117.46 119.67 2aqa n PHE 35 Ca 0.36 0.19 -0.31 0.00 -1.87 0.00 0.00 57.45 55.82 2aqa n PHE 35 Cb 0.29 -1.81 0.02 0.00 -1.61 0.00 0.00 39.48 36.37 2aqa n PHE 35 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2aqa s SER 36 N -2.29 6.04 0.43 5.98 0.01 -1.26 -4.97 113.70 117.63 2aqa s SER 36 Ca 0.63 1.40 0.22 0.00 1.31 0.00 0.00 55.95 59.51 2aqa s SER 36 Cb -0.21 -2.40 0.93 0.00 0.21 0.00 0.00 66.02 64.55 2aqa s SER 36 CO 0.63 -0.99 1.85 1.55 0.41 0.00 0.00 173.24 176.69 2aqa h PRO 37 N -0.41 0.00 -0.63 12.44 0.13 -2.05 -2.57 132.00 138.91 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2aqa h PRO 37 CO 0.62 0.27 0.00 -3.47 -0.23 0.00 0.00 178.00 175.19 2aqa n ASP 38 N -3.57 3.72 0.12 1.44 2.03 -1.26 -4.07 116.55 114.96 2aqa n ASP 38 Ca -0.01 -2.20 0.07 0.00 0.52 0.00 0.00 54.79 53.17 2aqa n ASP 38 Cb 0.41 -0.47 0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.53 0.00 0.19 1.67 1.82 -1.84 -3.28 116.42 118.52 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 1.06 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.07 2aqa h ASP 39 CO 0.11 0.26 0.00 0.50 -1.61 0.00 0.00 179.24 178.50 2aqa h LYS 40 N 0.00 0.00 -0.80 0.28 3.11 -1.75 -2.45 116.57 114.96 2aqa h LYS 40 Ca -0.04 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.03 2aqa h LYS 40 Cb 1.24 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.43 2aqa h LYS 40 CO 0.03 0.00 0.57 0.10 -2.81 0.00 0.00 179.45 177.34 2aqa h TYR 41 N 0.00 0.03 0.00 1.91 -0.00 -1.87 -1.34 116.97 115.71 2aqa h TYR 41 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.50 2aqa h TYR 41 Cb 0.10 -0.01 -0.04 0.00 -0.00 0.00 0.00 36.73 36.77 2aqa h TYR 41 CO 0.00 0.01 -2.04 -1.13 -0.00 0.00 0.00 178.16 175.00 2aqa n SER 42 N -4.31 1.03 0.00 0.10 3.41 -0.93 -4.31 113.62 108.61 2aqa n SER 42 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2aqa n SER 42 Cb 0.86 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.89 2aqa n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2aqa n ARG 43 N -2.49 0.00 -0.14 4.33 0.63 -0.52 -1.91 116.66 116.55 2aqa n ARG 43 Ca -0.21 0.56 0.26 0.00 -0.92 0.00 0.00 57.85 57.53 2aqa n ARG 43 Cb 0.91 -1.36 0.71 0.00 0.45 0.00 0.00 32.46 33.16 2aqa n ARG 43 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2aqa h GLN 44 N 0.00 0.02 -0.05 -0.14 3.07 -1.78 -0.95 115.11 115.28 2aqa h GLN 44 Ca 0.00 -0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 2aqa h GLN 44 Cb 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.50 2aqa h GLN 44 CO 0.00 0.01 -0.28 -0.09 0.09 0.00 0.00 178.83 178.57 2aqa h ARG 45 N 0.02 -0.38 0.00 0.06 9.65 -1.57 -2.39 114.38 119.77 2aqa h ARG 45 Ca 0.39 0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 59.12 2aqa h ARG 45 Cb 1.51 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 30.16 2aqa h ARG 45 CO -0.01 -0.25 -0.84 -0.39 2.80 0.00 0.00 179.97 181.27 2aqa h VAL 46 N -0.39 1.59 -2.45 0.20 -1.51 -0.74 -3.45 116.25 109.50 2aqa h VAL 46 Ca 0.08 -2.90 -0.53 0.00 -1.23 0.00 0.00 66.70 62.12 2aqa h VAL 46 Cb 0.50 2.57 0.03 0.00 -2.13 0.00 0.00 31.29 32.26 2aqa h VAL 46 CO -0.27 0.82 1.18 -0.89 -1.23 0.00 0.00 177.57 177.18 2aqa s THR 47 N -3.06 2.79 0.15 7.19 2.01 -0.46 -4.90 115.64 119.35 2aqa s THR 47 Ca 0.00 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 2aqa s THR 47 Cb 0.11 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 2aqa s THR 47 CO 0.80 -0.00 1.80 -0.76 -0.69 0.00 0.00 174.62 175.77 2aqa s LEU 48 N 3.63 4.39 0.06 4.42 2.01 -1.26 -4.89 118.68 127.05 2aqa s LEU 48 Ca 0.85 2.79 0.17 0.00 0.01 0.00 0.00 54.13 57.95 2aqa s LEU 48 Cb -0.44 -3.58 -0.13 0.00 0.01 0.00 0.00 46.19 42.05 2aqa s LEU 48 CO 0.39 -1.00 0.82 2.29 1.01 0.00 0.00 176.35 179.86 2aqa n LYS 49 N 5.22 0.62 -2.43 1.70 0.00 -1.26 -4.95 118.16 117.06 2aqa n LYS 49 Ca 0.17 0.21 -0.13 0.00 -0.00 0.00 0.00 58.31 58.56 2aqa n LYS 49 Cb 0.37 -1.80 -0.01 0.00 -0.00 0.00 0.00 35.03 33.60 2aqa n LYS 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2aqa n LYS 50 N -2.87 -2.19 -2.83 -1.58 4.76 -1.26 -0.57 118.16 111.63 2aqa n LYS 50 Ca -0.10 0.62 -0.17 0.00 -2.87 0.00 0.00 58.31 55.80 2aqa n LYS 50 Cb 0.83 -5.22 -0.00 0.00 -1.84 0.00 0.00 35.03 28.80 2aqa n LYS 50 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2aqa n ARG 51 N -2.81 -2.88 0.28 1.97 0.63 -1.26 -4.80 116.66 107.80 2aqa n ARG 51 Ca -0.15 0.56 0.14 0.00 -0.92 0.00 0.00 57.85 57.48 2aqa n ARG 51 Cb 0.61 -5.22 0.84 0.00 0.45 0.00 0.00 32.46 29.14 2aqa n ARG 51 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 2aqa h PHE 52 N -0.46 0.00 0.00 -0.14 -1.00 -1.24 -3.29 116.94 110.81 2aqa h PHE 52 Ca -0.35 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.83 2aqa h PHE 52 Cb 1.25 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.83 2aqa h PHE 52 CO 0.68 0.06 3.35 0.41 -1.61 0.00 0.00 178.31 181.20 2aqa n GLY 53 N -0.96 3.87 1.85 -1.45 0.00 -1.26 -4.49 105.19 102.75 2aqa n GLY 53 Ca -0.02 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2aqa n GLY 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2aqa n LEU 54 N 4.29 5.80 -3.40 0.99 -0.00 -1.24 -4.96 117.00 118.49 2aqa n LEU 54 Ca 0.65 -3.41 -0.13 0.00 -0.00 0.00 0.00 56.01 53.12 2aqa n LEU 54 Cb 0.23 -0.74 0.01 0.00 -0.00 0.00 0.00 43.42 42.92 2aqa n LEU 54 CO 0.83 0.94 0.08 0.52 -0.00 0.00 0.00 177.39 179.77 2aqa n VAL 55 N -0.63 -7.27 0.22 1.47 0.31 -1.26 -4.88 118.33 106.28 2aqa n VAL 55 Ca 0.44 -0.30 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 2aqa n VAL 55 Cb 1.38 -5.23 0.47 0.00 -0.91 0.00 0.00 33.84 29.55 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 -0.16 0.00 0.00 5.55 0.13 -1.93 -3.45 132.00 132.14 2aqa h PRO 56 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2aqa h PRO 56 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2aqa h PRO 56 CO 0.35 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2aqa n GLY 57 N -0.07 0.47 0.00 1.56 0.00 -1.26 -5.28 105.19 100.60 2aqa n GLY 57 Ca -0.01 0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.39 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93