#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4ota s ILE 2 N 0.00 1.29 -0.09 4.25 1.01 -1.26 -1.43 121.20 124.97 4ota s ILE 2 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.09 4ota s ILE 2 Cb 0.00 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 4ota s ILE 2 CO 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 174.94 175.18 4ota s ALA 3 N 1.58 2.88 -0.18 9.38 0.00 0.60 -4.99 121.76 131.03 4ota s ALA 3 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.11 4ota s ALA 3 Cb -0.14 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.76 4ota s ALA 3 CO -0.09 0.44 -0.15 -1.14 0.00 0.00 0.00 175.76 174.83 4ota s GLN 4 N -0.37 2.44 -0.17 0.00 0.74 -1.26 -0.32 119.66 120.73 4ota s GLN 4 Ca 0.05 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.64 4ota s GLN 4 Cb -0.12 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 4ota s GLN 4 CO 0.02 -0.31 -0.06 0.42 -0.55 0.00 0.00 175.29 174.82 4ota s ILE 5 N 1.37 3.58 -0.30 -2.34 1.01 0.11 -4.97 121.20 119.65 4ota s ILE 5 Ca 0.02 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 4ota s ILE 5 Cb -0.14 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 4ota s ILE 5 CO -0.10 0.48 0.26 -1.00 0.00 0.00 0.00 174.94 174.57 4ota s HIS 6 N 0.68 3.22 0.14 3.97 3.76 -1.26 -1.07 115.29 124.73 4ota s HIS 6 Ca -0.03 0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.99 4ota s HIS 6 Cb -0.15 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 4ota s HIS 6 CO 0.02 -0.26 -0.11 0.96 -0.85 0.00 0.00 174.74 174.49 4ota s ILE 7 N 1.84 1.22 0.41 0.60 -4.36 -0.88 -5.00 121.20 115.03 4ota s ILE 7 Ca 0.09 -1.92 -0.24 0.00 -0.26 0.00 0.00 60.65 58.32 4ota s ILE 7 Cb -0.16 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.75 4ota s ILE 7 CO 0.11 -0.63 1.07 -0.76 0.24 0.00 0.00 174.94 174.97 4ota s LEU 8 N -2.89 4.10 0.77 0.37 1.43 -1.26 -0.46 118.68 120.74 4ota s LEU 8 Ca 0.13 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.19 4ota s LEU 8 Cb -0.00 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 42.07 4ota s LEU 8 CO 0.02 -0.59 1.15 -1.83 0.23 0.00 0.00 176.35 175.32 4ota s GLU 9 N -2.57 2.01 0.00 1.70 -1.05 -0.54 -4.43 118.70 113.82 4ota s GLU 9 Ca 0.59 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.91 4ota s GLU 9 Cb -0.23 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.62 4ota s GLU 9 CO 0.29 -1.88 0.00 0.41 0.95 0.00 0.00 175.26 175.02 4ota n GLY 10 N -0.21 1.30 3.88 -3.83 0.00 -1.26 -4.94 105.19 100.13 4ota n GLY 10 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 4ota n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4ota s ARG 11 N 0.00 3.78 0.70 1.61 3.00 -1.26 -5.08 118.95 121.70 4ota s ARG 11 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 55.73 56.04 4ota s ARG 11 Cb 0.00 -2.44 0.03 0.00 0.00 0.00 0.00 34.95 32.54 4ota s ARG 11 CO 0.00 0.03 1.07 -1.54 0.00 0.00 0.00 175.30 174.85 4ota s SER 12 N -3.06 5.24 0.41 0.23 1.04 -1.26 -4.92 113.70 111.38 4ota s SER 12 Ca 0.50 0.92 0.08 0.00 0.48 0.00 0.00 55.95 57.93 4ota s SER 12 Cb -0.10 -1.68 0.85 0.00 0.10 0.00 0.00 66.02 65.18 4ota s SER 12 CO 0.30 -1.41 2.03 0.44 0.98 0.00 0.00 173.24 175.57 4ota h ASP 13 N -0.63 0.42 -0.02 7.02 5.19 -1.99 -2.52 116.42 123.89 4ota h ASP 13 Ca -0.45 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 4ota h ASP 13 Cb 1.27 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 4ota h ASP 13 CO 0.63 0.35 0.01 -0.33 -3.12 0.00 0.00 179.24 176.78 4ota h GLU 14 N 0.48 0.03 -0.91 3.56 3.07 -1.99 -1.19 114.58 117.63 4ota h GLU 14 Ca 0.12 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 4ota h GLU 14 Cb 0.03 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 4ota h GLU 14 CO -0.02 0.21 0.59 1.96 -1.40 0.00 0.00 179.01 180.35 4ota h GLN 15 N -0.15 1.10 0.00 2.33 4.20 -1.88 -0.98 115.11 119.74 4ota h GLN 15 Ca 0.01 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 4ota h GLN 15 Cb 0.19 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 4ota h GLN 15 CO -0.00 0.73 -0.53 0.87 -0.67 0.00 0.00 178.83 179.23 4ota h LYS 16 N 1.14 0.00 -0.32 1.46 1.57 -1.32 -0.63 116.57 118.48 4ota h LYS 16 Ca 0.37 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.02 4ota h LYS 16 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 4ota h LYS 16 CO -0.12 0.53 -0.33 1.49 -0.57 0.00 0.00 179.45 180.45 4ota h GLU 17 N 0.00 0.69 -0.18 3.15 4.81 -0.21 -1.79 114.58 121.05 4ota h GLU 17 Ca -0.01 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 4ota h GLU 17 Cb 0.94 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.32 4ota h GLU 17 CO 0.07 0.93 -0.34 1.15 -0.73 0.00 0.00 179.01 180.08 4ota h THR 18 N 0.59 1.34 -0.25 0.32 2.02 -0.98 -2.56 112.91 113.38 4ota h THR 18 Ca 0.06 -1.58 0.05 0.00 0.77 0.00 0.00 66.41 65.71 4ota h THR 18 Cb 0.85 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 4ota h THR 18 CO 0.07 0.48 -0.02 0.25 0.37 0.00 0.00 175.52 176.68 4ota h LEU 19 N 0.21 -0.14 -1.14 2.58 5.85 -0.99 0.48 115.31 122.16 4ota h LEU 19 Ca 0.01 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.82 4ota h LEU 19 Cb 0.94 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 4ota h LEU 19 CO 0.08 -0.04 0.58 0.40 -0.34 0.00 0.00 178.44 179.12 4ota h ILE 20 N 0.06 1.15 -0.00 4.05 2.04 -1.28 -1.47 117.51 122.06 4ota h ILE 20 Ca 0.12 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 4ota h ILE 20 Cb 0.16 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 4ota h ILE 20 CO -0.22 0.20 -0.16 -0.09 0.00 0.00 0.00 178.15 177.89 4ota h ARG 21 N 1.12 0.11 -0.42 2.37 2.43 -0.96 -2.46 114.38 116.57 4ota h ARG 21 Ca 0.35 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 4ota h ARG 21 Cb 0.01 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 4ota h ARG 21 CO -0.10 0.86 0.17 0.93 -1.51 0.00 0.00 179.97 180.32 4ota h GLU 22 N -0.59 0.34 -0.54 0.20 4.39 -0.83 -0.70 114.58 116.85 4ota h GLU 22 Ca -0.02 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 4ota h GLU 22 Cb 0.91 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 4ota h GLU 22 CO 0.03 0.22 -0.04 0.28 -1.16 0.00 0.00 179.01 178.34 4ota h VAL 23 N 0.35 1.26 -0.49 3.13 2.07 -1.39 -1.66 116.25 119.53 4ota h VAL 23 Ca 0.19 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 4ota h VAL 23 Cb 0.15 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 4ota h VAL 23 CO -0.17 0.41 0.14 0.28 0.02 0.00 0.00 177.57 178.25 4ota h SER 24 N 0.87 0.67 -0.10 0.57 0.02 -0.86 -1.23 113.55 113.49 4ota h SER 24 Ca 0.15 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 4ota h SER 24 Cb 0.57 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 4ota h SER 24 CO 0.03 0.65 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.95 4ota h GLU 25 N 0.71 0.24 -0.79 3.45 4.39 -0.82 -2.19 114.58 119.56 4ota h GLU 25 Ca 0.16 -0.13 0.10 0.00 0.34 0.00 0.00 59.36 59.83 4ota h GLU 25 Cb 0.24 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 4ota h GLU 25 CO -0.01 0.66 0.44 0.00 -1.16 0.00 0.00 179.01 178.94 4ota h ALA 26 N 0.57 1.13 -0.16 3.43 0.00 -1.01 0.46 119.26 123.67 4ota h ALA 26 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 4ota h ALA 26 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 4ota h ALA 26 CO 0.02 0.04 -0.04 0.82 0.00 0.00 0.00 179.25 180.10 4ota h ILE 27 N 0.73 1.29 -0.77 0.00 2.04 -1.22 -1.48 117.51 118.10 4ota h ILE 27 Ca 0.39 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 4ota h ILE 27 Cb 0.39 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 4ota h ILE 27 CO -0.26 0.29 0.43 -1.28 0.00 0.00 0.00 178.15 177.33 4ota h SER 28 N 0.02 0.95 0.36 1.72 0.87 -0.70 -2.41 113.55 114.36 4ota h SER 28 Ca 0.04 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 4ota h SER 28 Cb 0.47 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 4ota h SER 28 CO 0.02 0.77 -0.17 -0.09 -0.53 0.00 0.00 176.83 176.82 4ota h ARG 29 N 1.06 -0.46 -1.00 2.24 2.43 -0.04 -1.11 114.38 117.50 4ota h ARG 29 Ca 0.27 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.53 4ota h ARG 29 Cb 0.02 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 4ota h ARG 29 CO -0.04 -0.18 0.64 0.77 -1.51 0.00 0.00 179.97 179.65 4ota h SER 30 N -0.71 1.04 -0.03 -3.80 0.02 -1.23 -2.81 113.55 106.04 4ota h SER 30 Ca -0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 4ota h SER 30 Cb 0.49 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.82 4ota h SER 30 CO 0.08 0.67 -0.06 0.18 -1.14 0.00 0.00 176.83 176.56 4ota n LEU 31 N -4.50 2.81 -3.71 5.07 4.77 -0.91 -4.97 117.00 115.56 4ota n LEU 31 Ca 0.15 -0.97 -0.25 0.00 -0.03 0.00 0.00 56.01 54.91 4ota n LEU 31 Cb 0.17 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 4ota n LEU 31 CO 0.33 0.48 0.16 -0.67 -1.33 0.00 0.00 177.39 176.35 4ota n ASP 32 N 1.13 -5.00 -4.71 -1.43 -0.08 -0.47 -4.99 116.55 101.00 4ota n ASP 32 Ca 0.13 -0.66 -0.31 0.00 -1.51 0.00 0.00 54.79 52.44 4ota n ASP 32 Cb 0.56 -4.54 -0.08 0.00 2.34 0.00 0.00 41.12 39.40 4ota n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4ota s ALA 33 N -3.35 3.36 0.15 -1.67 0.00 -0.88 -5.05 121.76 114.32 4ota s ALA 33 Ca 0.52 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 4ota s ALA 33 Cb -0.24 -1.30 -0.11 0.00 0.00 0.00 0.00 23.12 21.47 4ota s ALA 33 CO 0.77 0.70 1.79 -1.25 0.00 0.00 0.00 175.76 177.78 4ota s PRO 34 N -2.11 4.14 0.33 0.00 0.04 -1.26 -4.62 135.00 131.52 4ota s PRO 34 Ca 0.25 2.59 0.13 0.00 0.04 0.00 0.00 61.00 64.01 4ota s PRO 34 Cb -0.12 -3.45 1.03 0.00 0.04 0.00 0.00 34.50 32.00 4ota s PRO 34 CO 0.17 -0.81 1.67 1.25 0.04 0.00 0.00 177.00 179.32 4ota h LEU 35 N 8.11 0.51 -0.03 -3.56 5.85 -1.92 0.11 115.31 124.38 4ota h LEU 35 Ca -0.45 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.45 4ota h LEU 35 Cb 1.21 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.37 4ota h LEU 35 CO 0.95 -0.10 0.00 0.35 -0.34 0.00 0.00 178.44 179.30 4ota n THR 36 N -5.03 1.49 0.85 1.05 -2.24 -1.26 -1.74 114.28 107.39 4ota n THR 36 Ca 0.30 0.38 0.11 0.00 -2.27 0.00 0.00 64.05 62.57 4ota n THR 36 Cb 0.92 -1.25 0.11 0.00 -2.10 0.00 0.00 70.33 68.01 4ota n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 4ota n SER 37 N -1.52 0.64 -4.72 3.42 3.41 0.37 -4.91 113.62 110.31 4ota n SER 37 Ca 0.02 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 4ota n SER 37 Cb 0.09 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 4ota n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4ota s VAL 38 N -3.07 4.46 -0.10 -3.33 1.01 -0.71 -3.40 120.40 115.27 4ota s VAL 38 Ca 0.08 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.98 4ota s VAL 38 Cb 0.16 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.34 4ota s VAL 38 CO 0.76 0.21 -0.19 -0.13 0.00 0.00 0.00 175.10 175.75 4ota s ARG 39 N 0.54 2.55 -0.06 2.72 3.00 -0.51 -5.00 118.95 122.19 4ota s ARG 39 Ca 0.51 -0.70 0.04 0.00 0.00 0.00 0.00 55.73 55.59 4ota s ARG 39 Cb -0.24 -2.02 -0.00 0.00 0.00 0.00 0.00 34.95 32.68 4ota s ARG 39 CO 0.30 0.06 -0.19 0.08 0.00 0.00 0.00 175.30 175.55 4ota s VAL 40 N 0.63 1.61 -0.15 3.52 1.01 -1.26 -0.29 120.40 125.46 4ota s VAL 40 Ca -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.06 4ota s VAL 40 Cb -0.16 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.84 4ota s VAL 40 CO 0.04 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 4ota s ILE 41 N 0.11 1.98 -0.16 2.22 1.01 0.57 -4.97 121.20 121.96 4ota s ILE 41 Ca -0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 4ota s ILE 41 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 4ota s ILE 41 CO 0.04 0.53 0.09 -0.63 0.00 0.00 0.00 174.94 174.97 4ota s ILE 42 N 1.03 5.05 -0.21 2.92 1.01 -1.26 -0.71 121.20 129.02 4ota s ILE 42 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.68 4ota s ILE 42 Cb -0.14 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.13 4ota s ILE 42 CO -0.06 0.51 -0.05 -0.89 0.00 0.00 0.00 174.94 174.44 4ota s THR 43 N -0.08 1.36 0.24 2.92 2.01 -0.23 -4.96 115.64 116.90 4ota s THR 43 Ca 0.08 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 4ota s THR 43 Cb -0.12 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 4ota s THR 43 CO 0.01 -0.01 0.77 -1.61 -0.69 0.00 0.00 174.62 173.08 4ota s GLU 44 N 1.49 4.33 -0.07 4.92 2.02 -1.26 -2.06 118.70 128.08 4ota s GLU 44 Ca -0.03 0.97 0.03 0.00 0.02 0.00 0.00 54.97 55.96 4ota s GLU 44 Cb -0.17 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 4ota s GLU 44 CO -0.07 0.39 -0.15 -1.64 0.02 0.00 0.00 175.26 173.80 4ota s MET 45 N -1.93 2.71 0.50 1.61 -1.94 0.39 -4.88 119.30 115.76 4ota s MET 45 Ca 0.44 -0.72 -0.21 0.00 -1.71 0.00 0.00 55.69 53.48 4ota s MET 45 Cb -0.17 -2.41 -0.07 0.00 2.01 0.00 0.00 34.83 34.19 4ota s MET 45 CO 0.22 0.50 1.14 0.00 -0.01 0.00 0.00 175.02 176.87 4ota s ALA 46 N -0.41 2.85 0.59 3.03 0.00 -1.26 -1.46 121.76 125.10 4ota s ALA 46 Ca 0.04 0.87 0.29 0.00 0.00 0.00 0.00 51.96 53.17 4ota s ALA 46 Cb -0.12 -3.37 1.57 0.00 0.00 0.00 0.00 23.12 21.21 4ota s ALA 46 CO 0.02 -0.69 2.00 0.87 0.00 0.00 0.00 175.76 177.96 4ota h LYS 47 N 1.67 0.00 -0.64 0.00 1.57 -1.95 0.16 116.57 117.37 4ota h LYS 47 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 4ota h LYS 47 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 4ota h LYS 47 CO 0.59 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.88 4ota n GLY 48 N -1.44 2.44 0.09 3.86 0.00 -1.26 -3.63 105.19 105.25 4ota n GLY 48 Ca 0.04 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.31 4ota n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4ota n HIS 49 N 0.96 0.06 -3.95 1.61 8.25 0.55 -4.97 115.22 117.72 4ota n HIS 49 Ca 0.23 -0.43 -0.27 0.00 -0.26 0.00 0.00 57.72 56.99 4ota n HIS 49 Cb 0.83 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.73 4ota n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4ota s PHE 50 N -0.88 1.48 0.07 4.41 5.36 -1.24 -4.87 117.98 122.31 4ota s PHE 50 Ca 0.03 -0.72 0.08 0.00 -0.96 0.00 0.00 56.93 55.36 4ota s PHE 50 Cb 0.02 -1.22 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 4ota s PHE 50 CO 0.02 -0.50 -0.21 0.20 -1.46 0.00 0.00 175.22 173.28 4ota s GLY 51 N 1.63 1.57 -0.11 13.12 0.00 -1.26 -0.66 107.32 121.61 4ota s GLY 51 Ca 0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 4ota s GLY 51 CO -0.07 -1.19 -0.06 -0.42 0.00 0.00 0.00 173.10 171.36 4ota s ILE 52 N -0.96 0.89 -1.48 0.90 1.01 0.44 -4.74 121.20 117.26 4ota s ILE 52 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.57 4ota s ILE 52 Cb -0.10 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.41 4ota s ILE 52 CO 0.06 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.94 4ota n GLY 53 N 4.98 0.56 1.48 6.18 0.00 -1.26 -2.25 105.19 114.88 4ota n GLY 53 Ca -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.65 4ota n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4ota n GLY 54 N -1.03 0.72 3.11 -0.02 0.00 -1.26 -5.05 105.19 101.66 4ota n GLY 54 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 4ota n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4ota s GLU 55 N -0.36 0.71 0.31 1.61 2.02 -0.95 -5.07 118.70 116.96 4ota s GLU 55 Ca 0.00 -0.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 4ota s GLU 55 Cb 0.00 -0.63 -0.13 0.00 0.10 0.00 0.00 34.13 33.47 4ota s GLU 55 CO 0.00 0.14 1.23 1.28 0.02 0.00 0.00 175.26 177.93 4ota n LEU 56 N 1.65 3.00 0.25 1.80 4.77 -1.26 -0.42 117.00 126.78 4ota n LEU 56 Ca -0.20 1.19 0.10 0.00 -0.03 0.00 0.00 56.01 57.07 4ota n LEU 56 Cb 0.55 -1.42 0.64 0.00 -2.33 0.00 0.00 43.42 40.86 4ota n LEU 56 CO 0.22 -0.74 0.93 0.00 -1.33 0.00 0.00 177.39 176.47 4ota h ALA 57 N 2.65 1.37 -0.34 -1.18 0.00 -1.02 -2.95 119.26 117.78 4ota h ALA 57 Ca -0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 4ota h ALA 57 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 4ota h ALA 57 CO 0.64 0.20 0.11 0.66 0.00 0.00 0.00 179.25 180.86 4ota h SER 58 N 0.00 0.50 -0.13 0.00 4.64 -1.81 -3.09 113.55 113.67 4ota h SER 58 Ca -0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 4ota h SER 58 Cb 0.37 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 4ota h SER 58 CO 0.02 0.57 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 4ota n LYS 59 N -4.66 1.50 0.00 4.77 5.02 -1.12 -5.17 118.16 118.51 4ota n LYS 59 Ca -0.01 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.52 4ota n LYS 59 Cb 0.17 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 4ota n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16