#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 4.11 -0.20 2.41 0.05 -1.26 -4.94 118.68 118.84 2aqa s LEU 3 Ca 0.00 2.58 0.15 0.00 0.05 0.00 0.00 54.13 56.92 2aqa s LEU 3 Cb 0.00 -4.05 0.54 0.00 -2.05 0.00 0.00 46.19 40.63 2aqa s LEU 3 CO 0.00 -0.98 1.45 1.15 -0.55 0.00 0.00 176.35 177.41 2aqa n MET 4 N -0.21 2.77 -3.66 1.48 0.00 -1.26 -3.83 117.12 112.41 2aqa n MET 4 Ca 0.06 -2.91 -0.07 0.00 0.00 0.00 0.00 57.70 54.78 2aqa n MET 4 Cb 0.45 -1.86 -0.08 0.00 0.00 0.00 0.00 33.22 31.73 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 -2.91 -0.93 0.35 3.17 1.13 -1.26 -1.07 117.35 115.83 2aqa s TYR 5 Ca 0.43 1.77 -0.22 0.00 -1.41 0.00 0.00 57.07 57.64 2aqa s TYR 5 Cb 0.36 0.47 -0.10 0.00 -1.10 0.00 0.00 41.96 41.59 2aqa s TYR 5 CO 0.08 -0.50 0.89 0.95 -2.51 0.00 0.00 175.55 174.45 2aqa s THR 6 N 2.25 4.39 0.29 -3.49 -4.23 -0.20 -4.62 115.64 110.02 2aqa s THR 6 Ca -0.06 1.51 0.03 0.00 -1.18 0.00 0.00 61.69 62.00 2aqa s THR 6 Cb -0.10 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2aqa s THR 6 CO -0.15 -0.07 0.44 -0.76 -0.54 0.00 0.00 174.62 173.54 2aqa s LEU 7 N -2.60 4.16 0.00 4.79 1.43 -1.26 -0.13 118.68 125.08 2aqa s LEU 7 Ca 0.54 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2aqa s LEU 7 Cb -0.14 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.12 2aqa s LEU 7 CO 0.18 -0.20 0.44 0.61 0.23 0.00 0.00 176.35 177.62 2aqa n GLY 8 N -1.58 1.12 0.14 -3.19 0.00 0.47 -4.88 105.19 97.28 2aqa n GLY 8 Ca -0.07 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 1.61 0.13 -2.00 -2.94 132.00 128.80 2aqa h PRO 9 Ca -0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2aqa h PRO 9 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2aqa h PRO 9 CO 0.17 0.00 -1.58 -3.47 -0.23 0.00 0.00 178.00 172.89 2aqa n ASP 10 N -2.30 2.25 0.00 1.44 2.03 -1.26 -5.00 116.55 113.72 2aqa n ASP 10 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2aqa n ASP 10 Cb 0.23 1.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.06 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 1.89 1.79 3.69 0.27 0.00 -1.11 -5.11 105.19 106.62 2aqa n GLY 11 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2aqa n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aqa s LYS 12 N 0.00 4.40 0.43 1.61 2.20 -1.26 -4.67 119.74 122.45 2aqa s LYS 12 Ca 0.00 1.48 -0.23 0.00 -0.36 0.00 0.00 55.97 56.86 2aqa s LYS 12 Cb 0.00 -3.55 -0.08 0.00 -1.51 0.00 0.00 37.83 32.69 2aqa s LYS 12 CO 0.00 -0.36 1.09 1.03 -0.36 0.00 0.00 175.35 176.75 2aqa s ARG 13 N 2.07 4.00 -0.29 4.03 0.52 -1.26 -0.39 118.95 127.63 2aqa s ARG 13 Ca 0.51 1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 57.27 2aqa s ARG 13 Cb -0.20 -2.46 0.10 0.00 0.52 0.00 0.00 34.95 32.91 2aqa s ARG 13 CO 0.19 -0.30 0.15 0.42 0.02 0.00 0.00 175.30 175.78 2aqa s ILE 14 N -1.65 -0.10 -0.60 1.52 1.01 0.82 -4.93 121.20 117.27 2aqa s ILE 14 Ca 0.60 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 60.23 2aqa s ILE 14 Cb -0.24 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2aqa s ILE 14 CO 0.29 -0.71 1.58 -0.31 0.00 0.00 0.00 174.94 175.79 2aqa s TYR 15 N 2.10 2.02 0.00 3.97 1.51 -1.26 -1.03 117.35 124.65 2aqa s TYR 15 Ca 0.09 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 56.64 2aqa s TYR 15 Cb -0.16 -4.31 0.00 0.00 -0.11 0.00 0.00 41.96 37.38 2aqa s TYR 15 CO -0.36 -2.19 0.56 0.25 -1.11 0.00 0.00 175.55 172.71 2aqa n THR 16 N 6.92 0.13 -3.94 -0.71 -2.24 -1.17 -5.00 114.28 108.26 2aqa n THR 16 Ca 0.14 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 2aqa n THR 16 Cb 0.50 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2aqa n THR 16 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2aqa n LEU 17 N -0.06 -2.43 0.03 3.22 -0.00 -0.23 -4.89 117.00 112.63 2aqa n LEU 17 Ca 0.00 -0.87 -0.04 0.00 -0.00 0.00 0.00 56.01 55.10 2aqa n LEU 17 Cb 0.47 -2.43 -0.02 0.00 -0.00 0.00 0.00 43.42 41.44 2aqa n LEU 17 CO 0.00 0.42 0.50 0.50 -0.00 0.00 0.00 177.39 178.81 2aqa h LYS 18 N -1.89 -0.17 -7.02 1.96 3.64 -1.84 -3.43 116.57 107.83 2aqa h LYS 18 Ca -0.60 0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.39 2aqa h LYS 18 Cb 1.37 0.04 0.22 0.00 -0.41 0.00 0.00 32.23 33.45 2aqa h LYS 18 CO 0.66 -0.11 -0.12 1.63 -2.27 0.00 0.00 179.45 179.24 2aqa n LYS 19 N -3.09 -3.56 -4.11 1.90 4.76 -1.25 -5.03 118.16 107.78 2aqa n LYS 19 Ca -0.02 -1.03 -0.30 0.00 -2.87 0.00 0.00 58.31 54.08 2aqa n LYS 19 Cb 0.09 -2.04 -0.08 0.00 -1.84 0.00 0.00 35.03 31.17 2aqa n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2aqa s VAL 20 N -2.27 4.18 0.46 -0.18 0.11 -1.26 -4.96 120.40 116.48 2aqa s VAL 20 Ca 0.68 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2aqa s VAL 20 Cb -0.20 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 2aqa s VAL 20 CO 0.62 0.13 0.14 0.28 -3.33 0.00 0.00 175.10 172.94 2aqa s THR 21 N -1.33 1.83 0.05 5.04 -1.32 -1.26 -4.98 115.64 113.67 2aqa s THR 21 Ca 0.27 -1.80 -0.20 0.00 -1.21 0.00 0.00 61.69 58.75 2aqa s THR 21 Cb -0.12 -2.63 -0.06 0.00 -1.51 0.00 0.00 72.50 68.18 2aqa s THR 21 CO 0.19 0.00 0.58 -0.70 -2.21 0.00 0.00 174.62 172.49 2aqa s GLU 22 N -3.93 4.25 -0.14 7.08 2.12 -1.26 -5.00 118.70 121.83 2aqa s GLU 22 Ca 0.29 0.75 -0.24 0.00 0.36 0.00 0.00 54.97 56.13 2aqa s GLU 22 Cb 0.03 -3.27 -0.25 0.00 0.26 0.00 0.00 34.13 30.90 2aqa s GLU 22 CO 0.16 0.54 0.63 1.03 -0.54 0.00 0.00 175.26 177.09 2aqa h SER 23 N 4.91 0.12 0.00 -1.70 0.87 -2.05 -3.49 113.55 112.20 2aqa h SER 23 Ca -0.48 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.22 2aqa h SER 23 Cb 1.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2aqa h SER 23 CO 0.66 1.26 0.00 0.61 -0.53 0.00 0.00 176.83 178.82 2aqa n GLY 24 N 1.60 -1.99 3.79 5.77 0.00 -1.26 -5.15 105.19 107.94 2aqa n GLY 24 Ca -0.18 0.59 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.03 2.66 0.02 1.61 2.56 -1.26 -5.06 118.70 118.22 2aqa s GLU 25 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 54.97 56.14 2aqa s GLU 25 Cb 0.00 -1.95 -0.04 0.00 2.00 0.00 0.00 34.13 34.15 2aqa s GLU 25 CO 0.00 -1.33 -0.03 -1.50 -0.56 0.00 0.00 175.26 171.84 2aqa s ILE 26 N -2.81 3.86 -0.20 -3.70 2.07 -1.26 -5.05 121.20 114.12 2aqa s ILE 26 Ca 0.61 -0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 59.01 2aqa s ILE 26 Cb -0.17 -2.73 -0.03 0.00 0.13 0.00 0.00 42.46 39.66 2aqa s ILE 26 CO 0.51 0.32 0.01 0.42 -1.91 0.00 0.00 174.94 174.29 2aqa s THR 27 N -1.10 4.06 -0.09 4.00 -4.23 -1.26 -4.96 115.64 112.06 2aqa s THR 27 Ca 0.20 -0.28 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 2aqa s THR 27 Cb -0.11 -2.83 -0.18 0.00 1.34 0.00 0.00 72.50 70.71 2aqa s THR 27 CO 0.11 0.43 0.14 2.29 -0.54 0.00 0.00 174.62 177.05 2aqa n LYS 28 N 4.13 1.35 -1.08 3.99 2.85 -1.26 -4.49 118.16 123.65 2aqa n LYS 28 Ca -0.17 -0.05 -0.23 0.00 -1.05 0.00 0.00 58.31 56.80 2aqa n LYS 28 Cb 0.52 -1.33 0.11 0.00 -0.65 0.00 0.00 35.03 33.68 2aqa n LYS 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2aqa n SER 29 N -2.29 5.17 -4.39 -5.58 2.88 -1.26 -4.91 113.62 103.24 2aqa n SER 29 Ca -0.14 -3.41 -0.32 0.00 -1.33 0.00 0.00 58.87 53.66 2aqa n SER 29 Cb 0.71 -0.87 -0.14 0.00 -0.75 0.00 0.00 64.21 63.15 2aqa n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqa s ALA 30 N -2.89 2.49 -0.67 -1.46 0.00 -1.26 -4.80 121.76 113.17 2aqa s ALA 30 Ca 0.49 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 2aqa s ALA 30 Cb 0.40 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2aqa s ALA 30 CO 0.05 0.45 0.67 1.58 0.00 0.00 0.00 175.76 178.51 2aqa n HIS 31 N 2.76 -3.06 -0.69 0.00 -0.00 -1.26 -5.01 115.22 107.96 2aqa n HIS 31 Ca -0.17 1.19 -0.11 0.00 -0.00 0.00 0.00 57.72 58.63 2aqa n HIS 31 Cb 0.52 -4.01 0.09 0.00 -0.00 0.00 0.00 29.99 26.59 2aqa n HIS 31 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2aqa n PRO 32 N -1.44 -1.77 -0.08 1.57 -0.04 -1.26 -4.97 135.00 127.01 2aqa n PRO 32 Ca 0.01 -0.61 -0.12 0.00 -0.04 0.00 0.00 63.50 62.73 2aqa n PRO 32 Cb 0.50 -0.58 -0.05 0.00 -0.04 0.00 0.00 33.50 33.33 2aqa n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqa h ALA 33 N -2.26 0.31 -1.79 0.55 0.00 -2.02 -3.48 119.26 110.57 2aqa h ALA 33 Ca -0.14 -0.30 0.34 0.00 0.00 0.00 0.00 54.91 54.81 2aqa h ALA 33 Cb 0.44 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2aqa h ALA 33 CO 0.09 0.16 0.88 -0.98 0.00 0.00 0.00 179.25 179.41 2aqa s ARG 34 N -4.58 0.36 -0.19 0.00 1.04 -1.26 -5.18 118.95 109.13 2aqa s ARG 34 Ca -0.14 -0.22 -0.17 0.00 -1.04 0.00 0.00 55.73 54.16 2aqa s ARG 34 Cb 0.07 0.11 0.05 0.00 -2.04 0.00 0.00 34.95 33.14 2aqa s ARG 34 CO 0.77 -0.17 0.50 -0.59 -0.04 0.00 0.00 175.30 175.77 2aqa s PHE 35 N -2.16 -0.56 0.80 5.89 -0.71 -1.26 -5.16 117.98 114.81 2aqa s PHE 35 Ca 0.23 1.36 -0.11 0.00 -1.04 0.00 0.00 56.93 57.37 2aqa s PHE 35 Cb 0.02 0.20 0.07 0.00 -1.21 0.00 0.00 43.02 42.10 2aqa s PHE 35 CO -0.02 -0.27 1.10 -1.12 -1.34 0.00 0.00 175.22 173.56 2aqa s SER 36 N 0.31 4.28 0.14 1.98 0.01 -1.26 -4.97 113.70 114.19 2aqa s SER 36 Ca -0.00 1.82 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 2aqa s SER 36 Cb -0.04 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2aqa s SER 36 CO 0.00 -2.18 1.48 1.55 0.41 0.00 0.00 173.24 174.50 2aqa h PRO 37 N -1.23 0.94 -6.59 12.44 0.13 -2.08 -3.41 132.00 132.20 2aqa h PRO 37 Ca -0.44 -0.49 -0.57 0.00 -0.87 0.00 0.00 66.00 63.63 2aqa h PRO 37 Cb 1.24 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2aqa h PRO 37 CO 0.51 1.15 0.86 -0.51 -0.23 0.00 0.00 178.00 179.78 2aqa s ASP 38 N -6.82 6.63 0.24 1.44 1.01 -1.26 -4.87 116.67 113.04 2aqa s ASP 38 Ca -0.11 0.45 0.19 0.00 0.71 0.00 0.00 52.55 53.79 2aqa s ASP 38 Cb 0.11 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.57 2aqa s ASP 38 CO 0.88 -1.19 1.23 -0.78 0.21 0.00 0.00 175.17 175.52 2aqa h ASP 39 N 9.12 0.00 0.49 0.27 3.58 -2.02 -3.24 116.42 124.61 2aqa h ASP 39 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2aqa h ASP 39 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2aqa h ASP 39 CO 1.10 0.28 0.00 1.17 -2.88 0.00 0.00 179.24 178.91 2aqa n LYS 40 N -2.97 0.29 -0.15 0.28 3.00 -1.26 -3.49 118.16 113.86 2aqa n LYS 40 Ca -0.01 0.07 0.27 0.00 -0.00 0.00 0.00 58.31 58.63 2aqa n LYS 40 Cb 0.67 -1.50 0.71 0.00 0.00 0.00 0.00 35.03 34.91 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 0.02 -0.11 5.64 -0.00 -1.97 0.28 116.97 120.82 2aqa h TYR 41 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 2aqa h TYR 41 Cb 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 2aqa h TYR 41 CO 0.00 0.01 -0.20 1.03 -0.00 0.00 0.00 178.16 179.00 2aqa h SER 42 N 0.02 0.36 -0.05 0.10 0.87 -1.85 -3.03 113.55 109.96 2aqa h SER 42 Ca 0.39 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2aqa h SER 42 Cb 1.55 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2aqa h SER 42 CO -0.01 0.84 0.00 0.54 -0.53 0.00 0.00 176.83 177.67 2aqa n ARG 43 N -4.53 1.31 -0.22 2.24 1.74 -0.08 -4.01 116.66 113.11 2aqa n ARG 43 Ca -0.07 -0.46 0.19 0.00 -0.77 0.00 0.00 57.85 56.74 2aqa n ARG 43 Cb 0.41 -1.38 0.53 0.00 -1.02 0.00 0.00 32.46 31.00 2aqa n ARG 43 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2aqa h GLN 44 N 0.98 0.36 0.34 5.56 4.15 -0.42 0.26 115.11 126.35 2aqa h GLN 44 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2aqa h GLN 44 Cb 0.21 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2aqa h GLN 44 CO 0.00 0.24 -0.16 0.00 -1.93 0.00 0.00 178.83 176.97 2aqa h ARG 45 N 0.37 -0.44 -0.20 1.69 -0.00 -1.80 -3.13 114.38 110.87 2aqa h ARG 45 Ca 0.45 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 60.02 2aqa h ARG 45 Cb 1.17 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 31.23 2aqa h ARG 45 CO -0.15 -0.18 0.16 -0.39 0.00 0.00 0.00 179.97 179.40 2aqa h VAL 46 N -1.05 0.79 -0.66 2.04 -1.51 -1.70 -1.62 116.25 112.54 2aqa h VAL 46 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 2aqa h VAL 46 Cb 0.46 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 2aqa h VAL 46 CO 0.08 0.00 0.34 0.74 -1.23 0.00 0.00 177.57 177.50 2aqa h THR 47 N 0.00 1.21 -2.36 7.19 2.02 -0.51 -3.43 112.91 117.03 2aqa h THR 47 Ca 0.10 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 2aqa h THR 47 Cb 0.41 0.38 -0.25 0.00 -1.74 0.00 0.00 68.15 66.96 2aqa h THR 47 CO -0.00 0.24 -0.25 -0.76 0.37 0.00 0.00 175.52 175.12 2aqa s LEU 48 N -9.91 -0.67 -0.15 2.58 1.43 -0.61 -5.10 118.68 106.25 2aqa s LEU 48 Ca -0.13 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.99 2aqa s LEU 48 Cb 0.14 1.69 -0.05 0.00 0.03 0.00 0.00 46.19 48.00 2aqa s LEU 48 CO 0.79 -0.22 0.33 -0.75 0.23 0.00 0.00 176.35 176.72 2aqa s LYS 49 N 2.28 4.24 -0.13 1.70 2.20 -1.24 -4.63 119.74 124.16 2aqa s LYS 49 Ca -0.05 0.17 0.10 0.00 -0.36 0.00 0.00 55.97 55.82 2aqa s LYS 49 Cb -0.10 -3.41 -0.15 0.00 -1.51 0.00 0.00 37.83 32.65 2aqa s LYS 49 CO -0.15 0.26 0.02 1.17 -0.36 0.00 0.00 175.35 176.28 2aqa n LYS 50 N 3.48 1.69 -0.10 4.03 0.00 -1.26 -3.22 118.16 122.77 2aqa n LYS 50 Ca -0.11 0.01 -0.06 0.00 0.00 0.00 0.00 58.31 58.15 2aqa n LYS 50 Cb 0.52 -1.33 0.01 0.00 0.00 0.00 0.00 35.03 34.23 2aqa n LYS 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2aqa h ARG 51 N 0.00 -0.05 0.01 1.64 2.43 -2.01 -3.14 114.38 113.26 2aqa h ARG 51 Ca -0.35 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.46 2aqa h ARG 51 Cb 1.76 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 31.25 2aqa h ARG 51 CO 0.01 -0.03 -2.30 1.19 -1.51 0.00 0.00 179.97 177.32 2aqa n PHE 52 N -5.32 0.19 0.00 2.20 3.01 -1.26 -5.01 117.46 111.26 2aqa n PHE 52 Ca 0.01 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2aqa n PHE 52 Cb 0.23 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.67 2aqa n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqa n GLY 53 N 1.83 2.29 4.01 1.37 0.00 -1.19 -4.85 105.19 108.64 2aqa n GLY 53 Ca -0.33 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2aqa n GLY 53 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aqa s LEU 54 N 0.00 2.91 -0.75 0.99 2.34 -1.26 -4.77 118.68 118.15 2aqa s LEU 54 Ca 0.00 -1.02 0.04 0.00 0.06 0.00 0.00 54.13 53.21 2aqa s LEU 54 Cb 0.00 -1.38 0.25 0.00 -0.56 0.00 0.00 46.19 44.50 2aqa s LEU 54 CO 0.00 -1.36 0.86 0.52 -1.06 0.00 0.00 176.35 175.31 2aqa n VAL 55 N -2.17 2.90 -2.26 1.48 0.31 -1.26 -5.08 118.33 112.25 2aqa n VAL 55 Ca 0.12 -5.32 -0.36 0.00 -0.01 0.00 0.00 64.34 58.77 2aqa n VAL 55 Cb 0.63 -2.12 -0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2aqa n VAL 55 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2aqa s PRO 56 N -2.37 3.47 -0.07 5.55 0.04 -1.26 -5.02 135.00 135.35 2aqa s PRO 56 Ca 0.36 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2aqa s PRO 56 Cb 0.10 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2aqa s PRO 56 CO -0.01 -0.76 -0.12 0.41 0.04 0.00 0.00 177.00 176.56 2aqa n GLY 57 N 0.24 -0.53 0.46 0.56 0.00 -1.26 -5.26 105.19 99.40 2aqa n GLY 57 Ca 0.10 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2aqa n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93