#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 4.35 -0.36 2.41 1.02 -1.26 -4.95 118.68 119.89 2aqa s LEU 3 Ca 0.00 2.06 0.07 0.00 0.02 0.00 0.00 54.13 56.29 2aqa s LEU 3 Cb 0.00 -3.93 0.70 0.00 0.02 0.00 0.00 46.19 42.98 2aqa s LEU 3 CO 0.00 -0.25 1.83 0.23 0.02 0.00 0.00 176.35 178.17 2aqa n MET 4 N 0.56 3.18 -3.63 1.70 2.81 -1.26 -4.87 117.12 115.61 2aqa n MET 4 Ca 0.02 -2.97 -0.04 0.00 -1.81 0.00 0.00 57.70 52.90 2aqa n MET 4 Cb 0.48 -2.18 -0.07 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.02 -0.81 0.51 2.03 1.13 -1.26 -3.64 117.35 112.29 2aqa s TYR 5 Ca 0.54 1.60 -0.14 0.00 -1.41 0.00 0.00 57.07 57.66 2aqa s TYR 5 Cb 0.44 0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 41.72 2aqa s TYR 5 CO 0.12 -0.40 0.94 0.95 -2.51 0.00 0.00 175.55 174.65 2aqa s THR 6 N 1.56 4.63 0.18 -3.49 -4.23 -1.20 -4.81 115.64 108.28 2aqa s THR 6 Ca -0.09 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.47 2aqa s THR 6 Cb -0.05 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 2aqa s THR 6 CO -0.17 -0.73 0.20 -0.76 -0.54 0.00 0.00 174.62 172.61 2aqa s LEU 7 N -4.23 4.00 0.00 4.79 1.43 -1.26 -1.71 118.68 121.70 2aqa s LEU 7 Ca 0.56 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 2aqa s LEU 7 Cb -0.10 -2.58 0.12 0.00 0.03 0.00 0.00 46.19 43.66 2aqa s LEU 7 CO 0.35 0.04 0.90 0.61 0.23 0.00 0.00 176.35 178.49 2aqa n GLY 8 N -0.59 1.09 0.00 -3.19 0.00 -0.22 -4.94 105.19 97.34 2aqa n GLY 8 Ca -0.08 -2.09 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 -1.55 0.00 0.00 0.00 173.32 171.77 2aqa n PRO 9 N -2.60 0.07 -0.01 1.61 -0.04 -1.26 -2.29 135.00 130.48 2aqa n PRO 9 Ca 0.16 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2aqa n PRO 9 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 2aqa n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2aqa n ASP 10 N -1.43 1.40 0.00 3.54 2.03 -1.26 -4.99 116.55 115.84 2aqa n ASP 10 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2aqa n ASP 10 Cb 0.15 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.22 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 1.63 1.03 3.82 0.27 0.00 -0.97 -5.11 105.19 105.86 2aqa n GLY 11 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.33 2.33 0.00 1.61 1.02 -1.26 -4.72 119.74 118.40 2aqa s LYS 12 Ca 0.00 0.62 0.02 0.00 0.02 0.00 0.00 55.97 56.64 2aqa s LYS 12 Cb 0.00 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 2aqa s LYS 12 CO 0.00 -1.45 -0.04 -0.98 -0.92 0.00 0.00 175.35 171.97 2aqa s ARG 13 N -5.19 2.65 -0.27 1.68 3.03 -1.26 -1.06 118.95 118.53 2aqa s ARG 13 Ca 0.60 -0.67 -0.03 0.00 2.03 0.00 0.00 55.73 57.66 2aqa s ARG 13 Cb -0.14 -2.58 0.11 0.00 -1.03 0.00 0.00 34.95 31.32 2aqa s ARG 13 CO 0.54 0.61 0.21 0.42 -1.13 0.00 0.00 175.30 175.95 2aqa s ILE 14 N -1.04 -0.26 -0.34 4.99 1.01 -0.69 -4.97 121.20 119.89 2aqa s ILE 14 Ca 0.18 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 60.02 2aqa s ILE 14 Cb -0.11 -0.90 -0.10 0.00 0.01 0.00 0.00 42.46 41.36 2aqa s ILE 14 CO 0.09 -0.49 2.22 -1.22 0.00 0.00 0.00 174.94 175.54 2aqa n TYR 15 N 5.29 1.64 -2.16 3.97 4.02 -1.26 -3.21 117.16 125.45 2aqa n TYR 15 Ca -0.04 0.19 -0.02 0.00 -0.01 0.00 0.00 57.90 58.01 2aqa n TYR 15 Cb 0.46 -2.57 -0.03 0.00 -0.02 0.00 0.00 39.34 37.17 2aqa n TYR 15 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2aqa n THR 16 N 7.37 0.00 -0.19 -0.72 5.66 -1.26 -4.93 114.28 120.22 2aqa n THR 16 Ca 0.39 -0.32 0.26 0.00 -3.05 0.00 0.00 64.05 61.33 2aqa n THR 16 Cb 0.29 0.62 0.67 0.00 -1.55 0.00 0.00 70.33 70.35 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 0.32 0.10 -8.61 1.09 8.10 -1.84 -3.38 115.31 111.10 2aqa h LEU 17 Ca -0.38 0.01 -0.51 0.00 0.11 0.00 0.00 57.88 57.12 2aqa h LEU 17 Cb 1.53 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 41.72 2aqa h LEU 17 CO -0.12 0.04 1.42 -0.75 -4.11 0.00 0.00 178.44 174.92 2aqa s LYS 18 N -5.09 2.63 0.30 0.17 2.20 -1.26 -4.93 119.74 113.76 2aqa s LYS 18 Ca -0.06 1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 2aqa s LYS 18 Cb 0.22 -4.41 -0.13 0.00 -1.51 0.00 0.00 37.83 32.00 2aqa s LYS 18 CO 0.77 -2.70 1.16 1.17 -0.36 0.00 0.00 175.35 175.40 2aqa n LYS 19 N 8.99 1.69 -1.94 4.03 4.81 -1.26 -4.89 118.16 129.58 2aqa n LYS 19 Ca 0.26 0.59 -0.41 0.00 -0.87 0.00 0.00 58.31 57.88 2aqa n LYS 19 Cb 0.52 -2.07 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 2aqa n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2aqa s VAL 20 N -0.92 2.43 -0.05 3.15 0.11 -1.26 -4.97 120.40 118.89 2aqa s VAL 20 Ca 0.59 0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 60.01 2aqa s VAL 20 Cb -0.66 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 2aqa s VAL 20 CO 0.59 0.07 -0.03 0.74 -3.33 0.00 0.00 175.10 173.15 2aqa h THR 21 N 3.31 0.00 -2.80 5.04 2.02 -2.05 -3.45 112.91 114.98 2aqa h THR 21 Ca -0.48 -0.44 -0.54 0.00 0.77 0.00 0.00 66.41 65.72 2aqa h THR 21 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2aqa h THR 21 CO 0.73 0.00 0.92 -1.61 0.37 0.00 0.00 175.52 175.93 2aqa s GLU 22 N -1.36 4.24 -0.09 6.66 0.41 -1.26 -4.90 118.70 122.40 2aqa s GLU 22 Ca -0.03 2.10 0.11 0.00 -0.41 0.00 0.00 54.97 56.75 2aqa s GLU 22 Cb 0.00 -3.64 -0.24 0.00 -1.78 0.00 0.00 34.13 28.48 2aqa s GLU 22 CO 0.04 -0.66 0.47 0.43 -0.49 0.00 0.00 175.26 175.05 2aqa n SER 23 N 5.69 0.87 0.00 -0.19 7.64 -1.26 -5.03 113.62 121.34 2aqa n SER 23 Ca 0.14 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2aqa n SER 23 Cb 0.43 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 1.67 1.99 3.09 0.23 0.00 -1.26 -4.96 105.19 105.96 2aqa n GLY 24 Ca -0.23 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.59 -0.08 1.61 2.12 -1.26 -5.16 118.70 116.52 2aqa s GLU 25 Ca 0.00 -0.98 0.05 0.00 0.36 0.00 0.00 54.97 54.40 2aqa s GLU 25 Cb 0.00 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 2aqa s GLU 25 CO 0.00 -0.13 -0.25 0.42 -0.54 0.00 0.00 175.26 174.76 2aqa s ILE 26 N -3.22 2.06 0.23 -3.70 1.01 -1.26 -5.13 121.20 111.18 2aqa s ILE 26 Ca 0.00 -1.05 0.09 0.00 0.00 0.00 0.00 60.65 59.70 2aqa s ILE 26 Cb 0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2aqa s ILE 26 CO -0.07 0.57 -0.00 0.28 0.00 0.00 0.00 174.94 175.71 2aqa s THR 27 N 0.06 3.54 0.14 2.92 -1.32 -1.26 -5.14 115.64 114.58 2aqa s THR 27 Ca -0.10 -1.72 -0.02 0.00 -1.21 0.00 0.00 61.69 58.63 2aqa s THR 27 Cb -0.16 -2.85 -0.03 0.00 -1.51 0.00 0.00 72.50 67.95 2aqa s THR 27 CO 0.06 -0.27 0.10 -0.75 -2.21 0.00 0.00 174.62 171.55 2aqa s LYS 28 N -3.38 1.00 0.24 7.08 2.20 -1.26 -5.17 119.74 120.45 2aqa s LYS 28 Ca 0.30 -1.42 0.08 0.00 -0.36 0.00 0.00 55.97 54.57 2aqa s LYS 28 Cb -0.08 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2aqa s LYS 28 CO 0.19 -0.30 0.06 -1.12 -0.36 0.00 0.00 175.35 173.82 2aqa s SER 29 N -3.05 4.89 0.22 1.43 0.01 -1.26 -5.14 113.70 110.81 2aqa s SER 29 Ca 0.25 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.09 2aqa s SER 29 Cb 0.07 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 2aqa s SER 29 CO 0.03 0.01 0.19 0.00 0.41 0.00 0.00 173.24 173.87 2aqa s ALA 30 N -2.16 3.60 -0.38 1.44 0.00 -1.26 -5.07 121.76 117.93 2aqa s ALA 30 Ca 0.31 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 2aqa s ALA 30 Cb -0.07 -1.35 0.26 0.00 0.00 0.00 0.00 23.12 21.95 2aqa s ALA 30 CO 0.21 0.33 1.11 1.58 0.00 0.00 0.00 175.76 178.99 2aqa n HIS 31 N -0.93 -1.43 0.26 0.00 -0.00 -1.26 -5.01 115.22 106.85 2aqa n HIS 31 Ca -0.08 -1.00 0.15 0.00 -0.00 0.00 0.00 57.72 56.79 2aqa n HIS 31 Cb 0.57 1.23 0.63 0.00 -0.00 0.00 0.00 29.99 32.42 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2aqa h PRO 32 N 3.56 0.00 -4.91 1.57 0.13 -2.09 -3.41 132.00 126.86 2aqa h PRO 32 Ca -0.18 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.29 2aqa h PRO 32 Cb 1.15 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 2aqa h PRO 32 CO -0.04 0.08 -0.69 0.00 -0.23 0.00 0.00 178.00 177.13 2aqa s ALA 33 N -3.73 2.91 -0.30 -0.56 0.00 -1.26 -5.06 121.76 113.76 2aqa s ALA 33 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 2aqa s ALA 33 Cb 0.10 -1.88 0.19 0.00 0.00 0.00 0.00 23.12 21.53 2aqa s ALA 33 CO 0.57 -0.68 1.22 -0.98 0.00 0.00 0.00 175.76 175.89 2aqa s ARG 34 N 1.46 0.13 -0.17 0.00 1.70 -1.26 -5.08 118.95 115.73 2aqa s ARG 34 Ca 0.04 0.21 -0.15 0.00 -0.47 0.00 0.00 55.73 55.35 2aqa s ARG 34 Cb -0.16 0.03 -0.11 0.00 -0.57 0.00 0.00 34.95 34.14 2aqa s ARG 34 CO -0.01 -0.02 0.04 0.74 -1.08 0.00 0.00 175.30 174.96 2aqa h PHE 35 N 5.10 0.00 -0.08 5.89 -1.00 -1.99 -3.47 116.94 121.39 2aqa h PHE 35 Ca -0.27 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.43 2aqa h PHE 35 Cb 1.17 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.59 2aqa h PHE 35 CO 0.18 0.71 -0.15 0.43 -1.61 0.00 0.00 178.31 177.87 2aqa n SER 36 N -4.54 -1.69 -0.04 2.17 7.64 -1.26 -5.04 113.62 110.85 2aqa n SER 36 Ca -0.18 -1.92 -0.13 0.00 1.01 0.00 0.00 58.87 57.64 2aqa n SER 36 Cb 0.45 0.95 -0.08 0.00 -1.01 0.00 0.00 64.21 64.52 2aqa n SER 36 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2aqa h PRO 37 N 3.58 0.21 -0.42 1.43 0.13 -2.00 -3.47 132.00 131.46 2aqa h PRO 37 Ca -0.16 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 2aqa h PRO 37 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 2aqa h PRO 37 CO -0.08 0.63 -0.16 -3.47 -0.23 0.00 0.00 178.00 174.69 2aqa n ASP 38 N -4.68 -5.17 0.22 1.44 2.03 -1.26 -4.83 116.55 104.30 2aqa n ASP 38 Ca -0.07 0.22 0.11 0.00 0.52 0.00 0.00 54.79 55.56 2aqa n ASP 38 Cb 0.31 -3.45 0.42 0.00 -0.72 0.00 0.00 41.12 37.68 2aqa n ASP 38 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2aqa h ASP 39 N 0.00 0.00 0.18 1.67 3.04 -1.99 -2.66 116.42 116.66 2aqa h ASP 39 Ca -0.18 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2aqa h ASP 39 Cb 0.94 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.23 2aqa h ASP 39 CO 0.26 0.19 0.00 0.29 -2.04 0.00 0.00 179.24 177.95 2aqa n LYS 40 N -3.28 0.82 -0.13 4.15 4.01 -1.26 -3.77 118.16 118.70 2aqa n LYS 40 Ca 0.01 0.00 0.26 0.00 -0.51 0.00 0.00 58.31 58.07 2aqa n LYS 40 Cb 0.45 -1.50 0.72 0.00 -0.51 0.00 0.00 35.03 34.19 2aqa n LYS 40 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 2aqa h TYR 41 N 0.00 0.00 -3.05 2.13 -0.00 -1.87 -3.40 116.97 110.78 2aqa h TYR 41 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 58.73 58.18 2aqa h TYR 41 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.80 2aqa h TYR 41 CO 0.00 0.00 -0.28 0.45 -0.00 0.00 0.00 178.16 178.33 2aqa s SER 42 N -5.75 6.44 0.20 0.10 0.15 -1.25 -5.01 113.70 108.58 2aqa s SER 42 Ca -0.05 0.54 0.16 0.00 0.70 0.00 0.00 55.95 57.30 2aqa s SER 42 Cb 0.21 -2.07 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2aqa s SER 42 CO 0.76 -0.04 1.20 0.03 1.20 0.00 0.00 173.24 176.39 2aqa h ARG 43 N 2.26 0.00 -0.81 5.44 2.47 -1.93 -3.30 114.38 118.51 2aqa h ARG 43 Ca -0.47 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.48 2aqa h ARG 43 Cb 1.18 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 2aqa h ARG 43 CO 0.69 0.42 0.58 -0.56 0.56 0.00 0.00 179.97 181.66 2aqa h GLN 44 N 0.00 0.02 -0.80 0.04 3.07 -1.94 0.12 115.11 115.62 2aqa h GLN 44 Ca -0.06 -0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.90 2aqa h GLN 44 Cb 1.45 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.97 2aqa h GLN 44 CO 0.06 0.01 0.57 -0.09 0.09 0.00 0.00 178.83 179.47 2aqa h ARG 45 N 0.02 0.02 -0.01 0.06 2.43 -1.91 0.45 114.38 115.45 2aqa h ARG 45 Ca 0.38 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.32 2aqa h ARG 45 Cb 1.51 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.07 2aqa h ARG 45 CO -0.01 0.01 -0.90 0.28 -1.51 0.00 0.00 179.97 177.84 2aqa h VAL 46 N 0.02 1.32 -1.61 0.20 2.07 -1.02 -3.44 116.25 113.79 2aqa h VAL 46 Ca 0.38 -2.18 -0.65 0.00 0.82 0.00 0.00 66.70 65.07 2aqa h VAL 46 Cb 1.49 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 2aqa h VAL 46 CO -0.01 0.66 1.23 0.41 0.02 0.00 0.00 177.57 179.88 2aqa n THR 47 N -3.97 0.37 -1.64 2.57 -1.04 0.15 -4.84 114.28 105.88 2aqa n THR 47 Ca -0.11 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 2aqa n THR 47 Cb 0.81 -1.77 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 2aqa n THR 47 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2aqa n LEU 48 N 8.16 3.85 -4.65 -4.42 0.00 -1.26 -4.89 117.00 113.78 2aqa n LEU 48 Ca 0.31 0.71 -0.42 0.00 0.00 0.00 0.00 56.01 56.60 2aqa n LEU 48 Cb 0.26 -1.52 -0.03 0.00 0.00 0.00 0.00 43.42 42.13 2aqa n LEU 48 CO 0.75 -0.07 1.50 -0.75 0.00 0.00 0.00 177.39 178.81 2aqa s LYS 49 N 4.99 4.05 0.25 1.96 2.20 -1.26 -4.87 119.74 127.06 2aqa s LYS 49 Ca 0.93 2.29 0.13 0.00 -0.36 0.00 0.00 55.97 58.97 2aqa s LYS 49 Cb -0.43 -4.09 0.02 0.00 -1.51 0.00 0.00 37.83 31.82 2aqa s LYS 49 CO 0.41 -1.02 1.42 0.87 -0.36 0.00 0.00 175.35 176.66 2aqa h LYS 50 N 10.47 0.00 0.15 4.03 1.79 -2.04 -3.35 116.57 127.63 2aqa h LYS 50 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2aqa h LYS 50 Cb 1.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 2aqa h LYS 50 CO 0.95 0.61 -0.35 -0.09 -1.08 0.00 0.00 179.45 179.49 2aqa h ARG 51 N 0.00 -0.53 -5.74 3.15 9.65 -2.02 -3.38 114.38 115.52 2aqa h ARG 51 Ca -0.01 0.04 -0.54 0.00 -1.10 0.00 0.00 59.98 58.37 2aqa h ARG 51 Cb 1.46 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.15 2aqa h ARG 51 CO 0.08 -0.35 1.57 1.19 2.80 0.00 0.00 179.97 185.25 2aqa n PHE 52 N -4.46 1.54 -2.30 2.20 3.72 -1.26 -4.71 117.46 112.20 2aqa n PHE 52 Ca -0.06 0.10 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 2aqa n PHE 52 Cb 0.28 -2.62 -0.00 0.00 -0.94 0.00 0.00 39.48 36.20 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aqa n GLY 53 N 6.09 0.82 3.88 1.37 0.00 -1.26 -5.01 105.19 111.08 2aqa n GLY 53 Ca 0.38 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2aqa n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqa s LEU 54 N 0.00 4.20 -0.45 0.99 2.01 -1.26 -5.05 118.68 119.11 2aqa s LEU 54 Ca 0.20 0.79 0.07 0.00 0.01 0.00 0.00 54.13 55.20 2aqa s LEU 54 Cb 0.23 -3.54 0.24 0.00 0.01 0.00 0.00 46.19 43.13 2aqa s LEU 54 CO -0.10 -0.03 0.55 1.33 1.01 0.00 0.00 176.35 179.10 2aqa n VAL 55 N -0.10 -0.06 0.27 -1.59 0.24 -1.26 -4.93 118.33 110.90 2aqa n VAL 55 Ca -0.01 -4.23 0.16 0.00 -2.04 0.00 0.00 64.34 58.23 2aqa n VAL 55 Cb 0.52 -1.97 0.67 0.00 -1.47 0.00 0.00 33.84 31.60 2aqa n VAL 55 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2aqa h PRO 56 N 4.23 0.00 0.00 7.34 0.13 -2.07 -3.42 132.00 138.21 2aqa h PRO 56 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2aqa h PRO 56 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2aqa h PRO 56 CO 0.54 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 2aqa n GLY 57 N -0.02 0.70 0.00 1.56 0.00 -1.26 -5.37 105.19 100.80 2aqa n GLY 57 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aqa n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14