#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 1.67 -0.15 2.39 1.43 -1.26 -4.99 118.68 117.78 2aqa s LEU 3 Ca 0.00 1.18 0.17 0.00 -1.03 0.00 0.00 54.13 54.45 2aqa s LEU 3 Cb 0.00 -3.39 0.32 0.00 0.03 0.00 0.00 46.19 43.16 2aqa s LEU 3 CO 0.00 -3.05 1.17 1.15 0.23 0.00 0.00 176.35 175.85 2aqa n MET 4 N -4.12 1.39 -3.64 1.70 0.00 -1.26 -4.99 117.12 106.21 2aqa n MET 4 Ca 0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 57.70 54.97 2aqa n MET 4 Cb 0.57 -1.54 -0.07 0.00 0.00 0.00 0.00 33.22 32.19 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 -2.96 -0.82 0.55 3.17 1.13 -1.26 -3.40 117.35 113.76 2aqa s TYR 5 Ca 0.34 1.63 -0.08 0.00 -1.41 0.00 0.00 57.07 57.54 2aqa s TYR 5 Cb 0.30 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.62 2aqa s TYR 5 CO 0.01 -0.41 0.91 0.95 -2.51 0.00 0.00 175.55 174.50 2aqa s THR 6 N 1.56 4.78 0.21 -3.49 -4.23 -1.16 -4.81 115.64 108.50 2aqa s THR 6 Ca -0.09 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2aqa s THR 6 Cb -0.05 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 2aqa s THR 6 CO -0.17 -0.99 0.07 -0.76 -0.54 0.00 0.00 174.62 172.23 2aqa s LEU 7 N -4.96 3.49 0.65 4.79 1.43 -1.26 -1.33 118.68 121.47 2aqa s LEU 7 Ca 0.51 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2aqa s LEU 7 Cb -0.11 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.15 2aqa s LEU 7 CO 0.49 0.03 0.89 -0.83 0.23 0.00 0.00 176.35 177.17 2aqa s GLY 8 N -3.37 1.72 0.00 -3.19 0.00 -0.18 -4.95 107.32 97.35 2aqa s GLY 8 Ca 0.30 -2.08 0.14 0.00 0.00 0.00 0.00 44.72 43.08 2aqa s GLY 8 CO 0.21 -1.55 1.44 -1.55 0.00 0.00 0.00 173.10 171.66 2aqa n PRO 9 N -2.50 0.08 -0.02 2.90 -0.04 -1.26 -2.24 135.00 131.92 2aqa n PRO 9 Ca 0.17 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.90 2aqa n PRO 9 Cb 0.61 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 2aqa n PRO 9 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2aqa n ASP 10 N -1.42 0.39 0.00 3.54 5.75 -1.26 -4.99 116.55 118.56 2aqa n ASP 10 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2aqa n ASP 10 Cb 0.15 1.74 0.00 0.00 -1.03 0.00 0.00 41.12 41.98 2aqa n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqa n GLY 11 N 1.45 1.04 3.89 6.12 0.00 -0.95 -5.11 105.19 111.62 2aqa n GLY 11 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2aqa n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqa s LYS 12 N -0.36 2.94 0.03 1.61 0.00 -1.26 -4.76 119.74 117.95 2aqa s LYS 12 Ca 0.00 0.45 0.04 0.00 0.00 0.00 0.00 55.97 56.46 2aqa s LYS 12 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 37.83 35.74 2aqa s LYS 12 CO 0.00 -0.96 -0.04 -0.98 0.00 0.00 0.00 175.35 173.37 2aqa s ARG 13 N -5.31 2.55 -0.23 1.78 3.03 -1.26 -1.01 118.95 118.51 2aqa s ARG 13 Ca 0.57 -0.76 -0.03 0.00 2.03 0.00 0.00 55.73 57.54 2aqa s ARG 13 Cb -0.11 -2.52 0.10 0.00 -1.03 0.00 0.00 34.95 31.39 2aqa s ARG 13 CO 0.51 0.58 0.20 0.42 -1.13 0.00 0.00 175.30 175.89 2aqa s ILE 14 N -1.11 -0.27 -0.58 4.99 1.01 -0.45 -4.97 121.20 119.82 2aqa s ILE 14 Ca 0.20 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 2aqa s ILE 14 Cb -0.11 -0.76 -0.12 0.00 0.01 0.00 0.00 42.46 41.47 2aqa s ILE 14 CO 0.11 -0.34 2.43 -1.22 0.00 0.00 0.00 174.94 175.92 2aqa n TYR 15 N 5.30 1.25 -2.25 3.97 4.02 -1.26 -3.01 117.16 125.18 2aqa n TYR 15 Ca -0.05 0.23 0.04 0.00 -0.01 0.00 0.00 57.90 58.11 2aqa n TYR 15 Cb 0.48 -2.54 0.05 0.00 -0.02 0.00 0.00 39.34 37.31 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 7.63 0.38 -0.15 -0.72 -1.04 -1.26 -4.86 114.28 114.26 2aqa n THR 16 Ca 0.46 -1.23 0.24 0.00 -2.04 0.00 0.00 64.05 61.49 2aqa n THR 16 Cb 0.31 0.71 0.67 0.00 -1.82 0.00 0.00 70.33 70.20 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 0.83 0.10 -1.99 -4.42 8.10 -1.84 0.14 115.31 116.23 2aqa h LEU 17 Ca -0.16 0.01 0.23 0.00 0.11 0.00 0.00 57.88 58.07 2aqa h LEU 17 Cb 1.67 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 41.85 2aqa h LEU 17 CO 0.07 0.04 0.56 0.07 -4.11 0.00 0.00 178.44 175.07 2aqa h LYS 18 N 0.10 0.01 0.68 0.17 2.10 -1.90 -2.24 116.57 115.49 2aqa h LYS 18 Ca 0.40 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.02 2aqa h LYS 18 Cb 1.43 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2aqa h LYS 18 CO -0.05 0.01 -0.40 -0.22 -2.00 0.00 0.00 179.45 176.80 2aqa h LYS 19 N 0.01 -0.97 -6.46 0.07 3.64 -1.12 -3.41 116.57 108.33 2aqa h LYS 19 Ca 0.37 0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 59.29 2aqa h LYS 19 Cb 1.48 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.51 2aqa h LYS 19 CO -0.01 -0.64 0.40 0.54 -2.27 0.00 0.00 179.45 177.47 2aqa s VAL 20 N -5.35 4.63 -0.18 2.00 0.11 -0.84 -4.94 120.40 115.83 2aqa s VAL 20 Ca -0.15 1.96 0.15 0.00 -2.93 0.00 0.00 61.98 61.00 2aqa s VAL 20 Cb 0.02 -4.25 -0.22 0.00 -1.53 0.00 0.00 36.38 30.40 2aqa s VAL 20 CO 0.48 0.19 0.04 1.07 -3.33 0.00 0.00 175.10 173.55 2aqa n THR 21 N 3.62 1.23 -2.86 5.04 5.66 -1.26 -4.93 114.28 120.78 2aqa n THR 21 Ca 0.06 -0.74 -0.41 0.00 -3.05 0.00 0.00 64.05 59.91 2aqa n THR 21 Cb 0.50 -0.58 -0.04 0.00 -1.55 0.00 0.00 70.33 68.66 2aqa n THR 21 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2aqa s GLU 22 N -2.43 4.56 -0.07 1.09 -1.05 -1.26 -4.96 118.70 114.58 2aqa s GLU 22 Ca -0.10 1.23 0.10 0.00 -0.15 0.00 0.00 54.97 56.04 2aqa s GLU 22 Cb 0.05 -3.40 -0.24 0.00 -0.44 0.00 0.00 34.13 30.10 2aqa s GLU 22 CO 0.72 0.15 0.57 0.43 0.95 0.00 0.00 175.26 178.08 2aqa n SER 23 N 3.23 1.03 0.00 0.83 7.64 -1.26 -5.06 113.62 120.03 2aqa n SER 23 Ca 0.01 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2aqa n SER 23 Cb 0.50 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 1.64 -0.35 3.57 0.23 0.00 -1.26 -4.81 105.19 104.21 2aqa n GLY 24 Ca -0.20 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 1.60 -1.19 1.61 2.13 -1.26 -4.91 120.64 118.62 2aqa n GLU 25 Ca 0.00 0.37 -0.36 0.00 0.66 0.00 0.00 57.16 57.83 2aqa n GLU 25 Cb 0.00 -3.17 0.08 0.00 0.27 0.00 0.00 31.44 28.62 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 7.76 1.53 -3.40 6.31 0.13 -1.26 -2.07 119.36 128.36 2aqa n ILE 26 Ca 0.34 -0.36 -0.24 0.00 -1.10 0.00 0.00 62.75 61.39 2aqa n ILE 26 Cb 0.44 -0.73 -0.01 0.00 -0.84 0.00 0.00 39.64 38.50 2aqa n ILE 26 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2aqa n THR 27 N -2.58 -0.95 -0.15 9.51 -2.24 -1.26 -4.79 114.28 111.82 2aqa n THR 27 Ca 0.10 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.08 2aqa n THR 27 Cb 0.50 -1.75 0.60 0.00 -2.10 0.00 0.00 70.33 67.58 2aqa n THR 27 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2aqa h LYS 28 N -0.96 0.21 -5.59 -0.78 2.10 -1.81 -3.42 116.57 106.32 2aqa h LYS 28 Ca -0.43 -0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 57.68 2aqa h LYS 28 Cb 1.29 -0.05 -0.14 0.00 -0.90 0.00 0.00 32.23 32.43 2aqa h LYS 28 CO 0.54 0.14 -0.67 0.45 -2.00 0.00 0.00 179.45 177.91 2aqa s SER 29 N -5.87 2.99 0.89 7.07 0.15 -1.26 -5.14 113.70 112.53 2aqa s SER 29 Ca -0.07 -1.21 -0.11 0.00 0.70 0.00 0.00 55.95 55.27 2aqa s SER 29 Cb 0.21 -0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.44 2aqa s SER 29 CO 0.76 -0.33 1.10 0.00 1.20 0.00 0.00 173.24 175.98 2aqa s ALA 30 N -2.93 1.52 0.96 5.45 0.00 -1.26 -4.97 121.76 120.52 2aqa s ALA 30 Ca 0.31 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 2aqa s ALA 30 Cb 0.04 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2aqa s ALA 30 CO 0.13 -2.47 0.56 0.72 0.00 0.00 0.00 175.76 174.71 2aqa n HIS 31 N -4.00 -0.94 -2.26 0.00 8.25 -1.26 -4.93 115.22 110.09 2aqa n HIS 31 Ca 0.09 0.26 -0.38 0.00 -0.26 0.00 0.00 57.72 57.43 2aqa n HIS 31 Cb 0.53 -1.82 -0.01 0.00 1.12 0.00 0.00 29.99 29.81 2aqa n HIS 31 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2aqa s PRO 32 N -3.87 3.89 0.53 -0.41 0.04 -1.26 -4.93 135.00 128.99 2aqa s PRO 32 Ca 0.59 1.82 0.17 0.00 0.04 0.00 0.00 61.00 63.63 2aqa s PRO 32 Cb -0.21 -2.54 1.32 0.00 0.04 0.00 0.00 34.50 33.11 2aqa s PRO 32 CO 0.65 -0.46 2.16 0.00 0.04 0.00 0.00 177.00 179.40 2aqa h ALA 33 N 2.32 1.96 -1.54 8.56 0.00 -2.02 -3.45 119.26 125.08 2aqa h ALA 33 Ca -0.49 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 54.67 2aqa h ALA 33 Cb 1.24 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 2aqa h ALA 33 CO 0.61 0.00 0.79 -0.98 0.00 0.00 0.00 179.25 179.67 2aqa s ARG 34 N -5.03 0.37 -0.53 0.00 3.03 -1.26 -5.11 118.95 110.42 2aqa s ARG 34 Ca -0.05 -0.15 -0.27 0.00 2.03 0.00 0.00 55.73 57.29 2aqa s ARG 34 Cb 0.17 0.16 -0.01 0.00 -1.03 0.00 0.00 34.95 34.24 2aqa s ARG 34 CO 0.66 -0.16 1.65 -0.06 -1.13 0.00 0.00 175.30 176.25 2aqa s PHE 35 N -2.48 1.97 -0.39 5.89 0.08 -1.26 -4.78 117.98 117.01 2aqa s PHE 35 Ca 0.10 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.76 2aqa s PHE 35 Cb -0.00 -4.23 0.26 0.00 -0.57 0.00 0.00 43.02 38.48 2aqa s PHE 35 CO -0.05 -2.30 1.12 -1.13 -0.10 0.00 0.00 175.22 172.76 2aqa n SER 36 N 10.80 -1.86 0.07 1.36 3.41 -1.26 -5.02 113.62 121.12 2aqa n SER 36 Ca 0.17 -2.31 -0.04 0.00 -0.26 0.00 0.00 58.87 56.44 2aqa n SER 36 Cb 0.50 1.10 0.18 0.00 -0.26 0.00 0.00 64.21 65.73 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 3.46 0.30 -5.52 4.33 0.13 -2.06 -3.44 132.00 129.20 2aqa h PRO 37 Ca -0.20 -0.16 -0.48 0.00 -0.87 0.00 0.00 66.00 64.29 2aqa h PRO 37 Cb 1.15 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 2aqa h PRO 37 CO -0.01 0.70 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.14 2aqa s ASP 38 N -6.88 1.87 0.24 1.44 1.01 -1.26 -5.03 116.67 108.06 2aqa s ASP 38 Ca -0.05 -0.49 0.19 0.00 0.71 0.00 0.00 52.55 52.91 2aqa s ASP 38 Cb 0.13 -0.13 0.06 0.00 1.01 0.00 0.00 42.92 43.99 2aqa s ASP 38 CO 0.79 0.06 1.23 0.44 0.21 0.00 0.00 175.17 177.89 2aqa h ASP 39 N 4.85 0.00 0.36 0.27 3.32 -2.02 -3.24 116.42 119.95 2aqa h ASP 39 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2aqa h ASP 39 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2aqa h ASP 39 CO 0.43 0.29 0.00 1.17 -1.72 0.00 0.00 179.24 179.41 2aqa n LYS 40 N -2.98 0.53 -0.01 3.56 3.00 -1.26 -3.61 118.16 117.39 2aqa n LYS 40 Ca -0.01 0.02 0.23 0.00 -0.00 0.00 0.00 58.31 58.55 2aqa n LYS 40 Cb 0.67 -1.50 0.72 0.00 0.00 0.00 0.00 35.03 34.92 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 0.00 -2.42 5.64 -0.00 -1.99 -3.41 116.97 114.79 2aqa h TYR 41 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.73 58.36 2aqa h TYR 41 Cb 0.18 0.00 0.20 0.00 -0.00 0.00 0.00 36.73 37.11 2aqa h TYR 41 CO 0.00 0.00 -0.56 0.45 -0.00 0.00 0.00 178.16 178.05 2aqa n SER 42 N -4.04 -2.80 -0.29 0.10 2.88 -1.24 -4.85 113.62 103.38 2aqa n SER 42 Ca 0.11 -0.35 0.08 0.00 -1.33 0.00 0.00 58.87 57.38 2aqa n SER 42 Cb 0.72 -0.95 0.34 0.00 -0.75 0.00 0.00 64.21 63.57 2aqa n SER 42 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2aqa n ARG 43 N -3.06 1.38 0.26 -1.46 1.85 -1.26 -3.78 116.66 110.58 2aqa n ARG 43 Ca 0.04 -0.58 0.14 0.00 -1.00 0.00 0.00 57.85 56.46 2aqa n ARG 43 Cb 0.53 -1.28 0.71 0.00 -1.05 0.00 0.00 32.46 31.38 2aqa n ARG 43 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2aqa h GLN 44 N 1.09 0.00 0.17 2.89 4.15 -1.89 0.26 115.11 121.79 2aqa h GLN 44 Ca 0.00 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 2aqa h GLN 44 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2aqa h GLN 44 CO 0.00 0.11 -1.79 0.07 -1.93 0.00 0.00 178.83 175.30 2aqa h ARG 45 N 0.00 0.37 0.00 1.69 0.11 -1.79 -3.35 114.38 111.41 2aqa h ARG 45 Ca -0.00 -0.63 -0.19 0.00 0.10 0.00 0.00 59.98 59.26 2aqa h ARG 45 Cb 0.42 0.23 -0.02 0.00 1.11 0.00 0.00 29.97 31.71 2aqa h ARG 45 CO 0.01 1.29 -0.87 -0.39 0.10 0.00 0.00 179.97 180.11 2aqa h VAL 46 N 0.10 1.61 -2.93 0.08 -1.51 -1.74 -2.72 116.25 109.14 2aqa h VAL 46 Ca -0.35 -2.93 -0.59 0.00 -1.23 0.00 0.00 66.70 61.60 2aqa h VAL 46 Cb 2.09 2.59 0.12 0.00 -2.13 0.00 0.00 31.29 33.96 2aqa h VAL 46 CO 0.16 0.84 0.21 1.07 -1.23 0.00 0.00 177.57 178.62 2aqa n THR 47 N -3.53 2.23 -1.38 7.19 5.66 0.91 -0.73 114.28 124.64 2aqa n THR 47 Ca -0.01 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.36 2aqa n THR 47 Cb 0.83 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 68.38 2aqa n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2aqa n LEU 48 N 0.76 -0.69 -2.91 1.09 7.94 -1.26 -2.43 117.00 119.50 2aqa n LEU 48 Ca 0.09 0.32 -0.16 0.00 -1.11 0.00 0.00 56.01 55.14 2aqa n LEU 48 Cb 0.37 -2.47 -0.01 0.00 0.53 0.00 0.00 43.42 41.84 2aqa n LEU 48 CO 0.59 -0.93 -0.08 1.17 -1.11 0.00 0.00 177.39 177.02 2aqa n LYS 49 N -1.61 -2.85 -3.85 1.96 4.81 0.09 -4.91 118.16 111.80 2aqa n LYS 49 Ca -0.13 0.47 -0.30 0.00 -0.87 0.00 0.00 58.31 57.48 2aqa n LYS 49 Cb 0.55 -5.11 -0.15 0.00 0.02 0.00 0.00 35.03 30.34 2aqa n LYS 49 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2aqa s LYS 50 N -5.51 1.06 0.00 1.64 2.20 -1.02 -4.96 119.74 113.15 2aqa s LYS 50 Ca 0.20 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 2aqa s LYS 50 Cb -0.10 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2aqa s LYS 50 CO 0.24 -0.91 0.00 0.54 -0.36 0.00 0.00 175.35 174.86 2aqa n ARG 51 N 4.65 0.00 -0.65 4.03 1.74 -1.03 -4.52 116.66 120.88 2aqa n ARG 51 Ca -0.02 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.33 2aqa n ARG 51 Cb 0.42 -0.65 0.29 0.00 -1.02 0.00 0.00 32.46 31.50 2aqa n ARG 51 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2aqa n PHE 52 N -1.67 1.38 0.00 -1.55 -1.74 -1.26 -4.91 117.46 107.71 2aqa n PHE 52 Ca 0.00 -0.97 0.00 0.00 -0.56 0.00 0.00 57.45 55.92 2aqa n PHE 52 Cb 0.00 -0.42 0.00 0.00 1.52 0.00 0.00 39.48 40.58 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2aqa n GLY 53 N -0.32 3.21 3.41 4.97 0.00 -1.26 -4.52 105.19 110.68 2aqa n GLY 53 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -3.48 -2.82 0.99 0.00 -1.26 -3.59 117.00 106.83 2aqa n LEU 54 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 56.01 55.47 2aqa n LEU 54 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 43.42 40.53 2aqa n LEU 54 CO 0.00 0.55 0.25 0.52 0.00 0.00 0.00 177.39 178.71 2aqa n VAL 55 N -4.60 -8.52 -0.68 1.96 0.31 -1.26 -5.03 118.33 100.51 2aqa n VAL 55 Ca -0.07 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 2aqa n VAL 55 Cb 0.58 -6.30 0.08 0.00 -0.91 0.00 0.00 33.84 27.30 2aqa n VAL 55 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2aqa n PRO 56 N -1.83 -1.73 0.00 5.55 -0.04 -1.24 -5.02 135.00 130.69 2aqa n PRO 56 Ca -0.01 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2aqa n PRO 56 Cb 0.51 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 2aqa n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aqa n GLY 57 N 0.03 2.43 0.00 0.55 0.00 -1.26 -5.19 105.19 101.74 2aqa n GLY 57 Ca 0.05 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.35 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93