#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 1.45 -0.08 4.25 1.01 -1.26 -1.24 121.20 125.32 4ota s ILE 2 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.05 4ota s ILE 2 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 4ota s ILE 2 CO 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 174.94 175.24 4ota s ALA 3 N 1.53 2.86 -0.17 9.38 0.00 0.57 -4.99 121.76 130.94 4ota s ALA 3 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.11 4ota s ALA 3 Cb -0.13 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.80 4ota s ALA 3 CO -0.10 0.47 -0.14 -1.14 0.00 0.00 0.00 175.76 174.86 4ota s GLN 4 N -0.46 2.31 -0.14 0.00 0.74 -1.26 -0.38 119.66 120.47 4ota s GLN 4 Ca 0.06 -0.67 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 4ota s GLN 4 Cb -0.12 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.71 4ota s GLN 4 CO 0.02 -0.29 -0.06 0.42 -0.55 0.00 0.00 175.29 174.83 4ota s ILE 5 N 1.44 3.66 -0.31 -2.34 1.01 0.17 -4.97 121.20 119.86 4ota s ILE 5 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 4ota s ILE 5 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 4ota s ILE 5 CO -0.10 0.51 0.18 -1.00 0.00 0.00 0.00 174.94 174.53 4ota s HIS 6 N 0.29 3.20 0.15 3.97 3.76 -1.26 -0.73 115.29 124.67 4ota s HIS 6 Ca -0.05 -0.25 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 4ota s HIS 6 Cb -0.14 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 4ota s HIS 6 CO 0.04 -0.33 -0.12 0.96 -0.85 0.00 0.00 174.74 174.43 4ota s ILE 7 N 1.69 1.31 0.40 0.60 -4.36 -0.77 -4.99 121.20 115.08 4ota s ILE 7 Ca 0.06 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.20 4ota s ILE 7 Cb -0.17 -1.81 -0.09 0.00 1.25 0.00 0.00 42.46 41.64 4ota s ILE 7 CO 0.09 -0.65 1.03 -0.76 0.24 0.00 0.00 174.94 174.89 4ota s LEU 8 N -3.04 4.12 0.79 0.37 1.43 -1.26 -0.58 118.68 120.51 4ota s LEU 8 Ca 0.16 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 4ota s LEU 8 Cb 0.00 -4.23 0.07 0.00 0.03 0.00 0.00 46.19 42.06 4ota s LEU 8 CO 0.02 -0.47 1.15 -1.83 0.23 0.00 0.00 176.35 175.45 4ota s GLU 9 N -2.58 1.89 0.00 1.70 -1.05 -0.38 -4.44 118.70 113.85 4ota s GLU 9 Ca 0.58 1.50 0.00 0.00 -0.15 0.00 0.00 54.97 56.90 4ota s GLU 9 Cb -0.20 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 4ota s GLU 9 CO 0.25 -1.97 0.00 0.41 0.95 0.00 0.00 175.26 174.91 4ota n GLY 10 N -0.19 1.18 3.89 -3.83 0.00 -1.26 -4.94 105.19 100.05 4ota n GLY 10 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 3.68 0.68 1.61 3.00 -1.26 -5.08 118.95 121.58 4ota s ARG 11 Ca 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 55.73 55.87 4ota s ARG 11 Cb 0.00 -2.49 0.02 0.00 0.00 0.00 0.00 34.95 32.49 4ota s ARG 11 CO 0.00 0.03 1.04 -1.54 0.00 0.00 0.00 175.30 174.83 4ota s SER 12 N -3.35 5.36 0.42 0.23 1.04 -1.26 -4.93 113.70 111.21 4ota s SER 12 Ca 0.48 0.93 0.08 0.00 0.48 0.00 0.00 55.95 57.91 4ota s SER 12 Cb -0.10 -1.75 0.89 0.00 0.10 0.00 0.00 66.02 65.16 4ota s SER 12 CO 0.33 -1.32 2.05 0.44 0.98 0.00 0.00 173.24 175.72 4ota h ASP 13 N -0.54 0.39 0.04 7.02 5.19 -1.99 -2.52 116.42 124.02 4ota h ASP 13 Ca -0.45 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 4ota h ASP 13 Cb 1.27 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.68 4ota h ASP 13 CO 0.63 0.32 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.71 4ota h GLU 14 N 0.46 -0.05 -0.90 3.56 3.07 -1.99 -1.00 114.58 117.73 4ota h GLU 14 Ca 0.12 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.05 4ota h GLU 14 Cb 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 4ota h GLU 14 CO -0.02 0.13 0.56 1.96 -1.40 0.00 0.00 179.01 180.24 4ota h GLN 15 N -0.23 0.98 -0.05 2.33 4.20 -1.85 -0.67 115.11 119.82 4ota h GLN 15 Ca -0.01 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 4ota h GLN 15 Cb 0.21 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 4ota h GLN 15 CO 0.01 0.65 -0.53 0.87 -0.67 0.00 0.00 178.83 179.15 4ota h LYS 16 N 1.01 0.13 -0.22 1.46 1.57 -1.34 -0.44 116.57 118.73 4ota h LYS 16 Ca 0.40 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 4ota h LYS 16 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 4ota h LYS 16 CO -0.18 0.63 -0.38 1.49 -0.57 0.00 0.00 179.45 180.44 4ota h GLU 17 N 0.10 0.50 -0.19 3.15 4.81 0.06 -1.70 114.58 121.32 4ota h GLU 17 Ca -0.00 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 4ota h GLU 17 Cb 0.98 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 4ota h GLU 17 CO 0.08 0.81 -0.52 1.15 -0.73 0.00 0.00 179.01 179.80 4ota h THR 18 N 0.42 1.32 -0.35 0.32 2.02 -0.95 -2.76 112.91 112.93 4ota h THR 18 Ca 0.04 -1.75 0.03 0.00 0.77 0.00 0.00 66.41 65.50 4ota h THR 18 Cb 0.85 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 4ota h THR 18 CO 0.07 0.55 0.15 0.25 0.37 0.00 0.00 175.52 176.91 4ota h LEU 19 N 0.37 0.19 -1.33 2.58 5.85 -0.89 0.49 115.31 122.57 4ota h LEU 19 Ca -0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 4ota h LEU 19 Cb 1.13 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 4ota h LEU 19 CO 0.11 0.15 0.39 0.40 -0.34 0.00 0.00 178.44 179.15 4ota h ILE 20 N 0.31 1.17 0.05 4.05 2.04 -1.29 -1.42 117.51 122.42 4ota h ILE 20 Ca 0.15 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 4ota h ILE 20 Cb 0.10 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 4ota h ILE 20 CO -0.13 0.18 -0.41 -0.09 0.00 0.00 0.00 178.15 177.69 4ota h ARG 21 N 0.86 0.19 -0.55 2.37 2.43 -1.07 -2.62 114.38 115.98 4ota h ARG 21 Ca 0.23 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 4ota h ARG 21 Cb -0.05 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 4ota h ARG 21 CO -0.04 1.07 0.36 0.93 -1.51 0.00 0.00 179.97 180.78 4ota h GLU 22 N -0.56 0.71 -0.31 0.20 4.39 -0.84 -0.91 114.58 117.25 4ota h GLU 22 Ca -0.07 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 4ota h GLU 22 Cb 1.26 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 4ota h GLU 22 CO 0.08 0.47 -0.30 0.28 -1.16 0.00 0.00 179.01 178.38 4ota h VAL 23 N 0.73 1.28 -0.42 3.13 2.07 -1.39 -2.05 116.25 119.59 4ota h VAL 23 Ca 0.20 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 4ota h VAL 23 Cb -0.07 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 4ota h VAL 23 CO -0.05 0.46 -0.02 0.28 0.02 0.00 0.00 177.57 178.26 4ota h SER 24 N 0.56 0.66 -0.14 0.57 0.02 -1.03 -1.43 113.55 112.76 4ota h SER 24 Ca 0.07 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 4ota h SER 24 Cb 0.79 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 4ota h SER 24 CO 0.06 0.74 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.99 4ota h GLU 25 N 0.65 0.37 -0.68 3.45 4.39 -0.95 -2.26 114.58 119.54 4ota h GLU 25 Ca 0.13 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.69 4ota h GLU 25 Cb 0.43 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 4ota h GLU 25 CO 0.02 0.77 0.36 0.00 -1.16 0.00 0.00 179.01 179.00 4ota h ALA 26 N 0.59 0.92 -0.17 3.43 0.00 -1.19 0.43 119.26 123.25 4ota h ALA 26 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 4ota h ALA 26 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 4ota h ALA 26 CO 0.04 0.01 0.01 0.82 0.00 0.00 0.00 179.25 180.13 4ota h ILE 27 N 0.65 1.24 -0.60 0.00 2.04 -1.26 -1.33 117.51 118.25 4ota h ILE 27 Ca 0.32 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 4ota h ILE 27 Cb 0.25 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 4ota h ILE 27 CO -0.21 0.24 0.35 -1.28 0.00 0.00 0.00 178.15 177.24 4ota h SER 28 N 0.06 0.74 0.53 1.72 0.87 -0.79 -2.44 113.55 114.23 4ota h SER 28 Ca 0.05 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 4ota h SER 28 Cb 0.35 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 4ota h SER 28 CO 0.01 0.60 -0.26 -0.09 -0.53 0.00 0.00 176.83 176.56 4ota h ARG 29 N 0.82 -0.69 -0.90 2.24 2.43 -0.09 -0.77 114.38 117.42 4ota h ARG 29 Ca 0.21 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 4ota h ARG 29 Cb 0.01 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 4ota h ARG 29 CO -0.04 -0.42 0.56 0.77 -1.51 0.00 0.00 179.97 179.34 4ota h SER 30 N -0.81 0.88 -0.03 -3.80 0.02 -1.21 -2.85 113.55 105.76 4ota h SER 30 Ca -0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 4ota h SER 30 Cb 0.59 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.96 4ota h SER 30 CO 0.12 0.56 -0.09 0.18 -1.14 0.00 0.00 176.83 176.46 4ota n LEU 31 N -4.60 2.80 -3.68 5.07 4.77 -0.92 -4.96 117.00 115.47 4ota n LEU 31 Ca 0.14 -0.95 -0.25 0.00 -0.03 0.00 0.00 56.01 54.92 4ota n LEU 31 Cb 0.20 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 4ota n LEU 31 CO 0.31 0.47 0.18 -0.67 -1.33 0.00 0.00 177.39 176.35 4ota n ASP 32 N 1.08 -5.27 -4.74 -1.43 -0.08 -0.35 -4.98 116.55 100.77 4ota n ASP 32 Ca 0.13 -0.63 -0.30 0.00 -1.51 0.00 0.00 54.79 52.48 4ota n ASP 32 Cb 0.57 -4.66 -0.07 0.00 2.34 0.00 0.00 41.12 39.31 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 -3.34 3.45 0.18 -1.67 0.00 -0.83 -5.05 121.76 114.50 4ota s ALA 33 Ca 0.53 -1.09 -0.32 0.00 0.00 0.00 0.00 51.96 51.08 4ota s ALA 33 Cb -0.24 -1.32 -0.11 0.00 0.00 0.00 0.00 23.12 21.45 4ota s ALA 33 CO 0.76 0.69 1.66 -1.25 0.00 0.00 0.00 175.76 177.62 4ota s PRO 34 N -2.48 4.17 0.31 0.00 0.04 -1.26 -4.63 135.00 131.15 4ota s PRO 34 Ca 0.28 2.48 0.07 0.00 0.04 0.00 0.00 61.00 63.88 4ota s PRO 34 Cb -0.12 -3.18 0.84 0.00 0.04 0.00 0.00 34.50 32.09 4ota s PRO 34 CO 0.21 -0.69 1.70 1.25 0.04 0.00 0.00 177.00 179.50 4ota h LEU 35 N 7.03 0.45 0.00 -3.56 5.85 -1.92 0.33 115.31 123.49 4ota h LEU 35 Ca -0.43 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.45 4ota h LEU 35 Cb 1.20 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.34 4ota h LEU 35 CO 0.94 -0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.39 4ota n THR 36 N -5.01 1.08 1.00 1.05 -2.24 -1.26 -1.58 114.28 107.33 4ota n THR 36 Ca 0.25 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.41 4ota n THR 36 Cb 0.74 -1.14 0.07 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.37 0.78 -4.71 3.42 3.41 0.11 -4.92 113.62 110.34 4ota n SER 37 Ca 0.03 -0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 57.57 4ota n SER 37 Cb 0.08 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.99 4.87 -0.11 -3.33 1.01 -0.61 -3.18 120.40 116.06 4ota s VAL 38 Ca 0.10 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.15 4ota s VAL 38 Cb 0.17 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.24 4ota s VAL 38 CO 0.78 0.16 -0.23 -0.13 0.00 0.00 0.00 175.10 175.68 4ota s ARG 39 N 1.04 3.01 -0.06 2.72 3.00 -0.37 -5.00 118.95 123.29 4ota s ARG 39 Ca 0.51 -0.86 0.05 0.00 0.00 0.00 0.00 55.73 55.43 4ota s ARG 39 Cb -0.21 -2.34 -0.00 0.00 0.00 0.00 0.00 34.95 32.40 4ota s ARG 39 CO 0.27 0.10 -0.22 0.08 0.00 0.00 0.00 175.30 175.54 4ota s VAL 40 N 0.53 1.82 -0.14 3.52 1.01 -1.26 -0.32 120.40 125.56 4ota s VAL 40 Ca -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.94 4ota s VAL 40 Cb -0.17 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.66 4ota s VAL 40 CO 0.05 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 4ota s ILE 41 N 0.08 1.87 -0.15 2.22 1.01 0.49 -4.98 121.20 121.75 4ota s ILE 41 Ca -0.08 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 4ota s ILE 41 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 4ota s ILE 41 CO 0.05 0.51 0.11 -0.63 0.00 0.00 0.00 174.94 174.98 4ota s ILE 42 N 1.00 5.25 -0.17 2.92 1.01 -1.26 -0.66 121.20 129.29 4ota s ILE 42 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 4ota s ILE 42 Cb -0.15 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.04 4ota s ILE 42 CO -0.05 0.55 -0.06 -0.89 0.00 0.00 0.00 174.94 174.49 4ota s THR 43 N -0.44 1.18 0.17 2.92 2.01 0.09 -4.95 115.64 116.62 4ota s THR 43 Ca 0.11 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 4ota s THR 43 Cb -0.12 -1.34 -0.08 0.00 0.01 0.00 0.00 72.50 70.97 4ota s THR 43 CO 0.02 0.13 0.70 -1.61 -0.69 0.00 0.00 174.62 173.16 4ota s GLU 44 N 1.60 4.33 -0.05 4.92 2.02 -1.26 -1.85 118.70 128.41 4ota s GLU 44 Ca 0.00 0.91 0.04 0.00 0.02 0.00 0.00 54.97 55.95 4ota s GLU 44 Cb -0.15 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 4ota s GLU 44 CO -0.08 0.51 -0.17 -1.64 0.02 0.00 0.00 175.26 173.91 4ota s MET 45 N -1.51 2.50 0.47 1.61 -1.94 0.26 -4.88 119.30 115.80 4ota s MET 45 Ca 0.37 -0.74 -0.22 0.00 -1.71 0.00 0.00 55.69 53.39 4ota s MET 45 Cb -0.19 -2.33 -0.07 0.00 2.01 0.00 0.00 34.83 34.25 4ota s MET 45 CO 0.22 0.57 1.12 0.00 -0.01 0.00 0.00 175.02 176.93 4ota s ALA 46 N -0.61 2.91 0.58 3.03 0.00 -1.26 -1.24 121.76 125.17 4ota s ALA 46 Ca 0.09 0.82 0.28 0.00 0.00 0.00 0.00 51.96 53.15 4ota s ALA 46 Cb -0.11 -3.34 1.52 0.00 0.00 0.00 0.00 23.12 21.19 4ota s ALA 46 CO 0.01 -0.56 1.99 0.87 0.00 0.00 0.00 175.76 178.06 4ota h LYS 47 N 1.86 0.00 -0.63 0.00 1.57 -1.95 0.58 116.57 118.00 4ota h LYS 47 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 4ota h LYS 47 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 4ota h LYS 47 CO 0.60 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 4ota n GLY 48 N -1.50 2.76 0.04 3.86 0.00 -1.26 -3.54 105.19 105.55 4ota n GLY 48 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.77 0.02 -4.11 1.61 8.25 0.19 -4.97 115.22 116.97 4ota n HIS 49 Ca 0.25 -0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 4ota n HIS 49 Cb 1.03 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.49 1.73 0.07 4.41 5.36 -1.23 -4.88 117.98 122.95 4ota s PHE 50 Ca 0.01 -0.87 0.08 0.00 -0.96 0.00 0.00 56.93 55.20 4ota s PHE 50 Cb 0.01 -1.34 -0.03 0.00 -0.34 0.00 0.00 43.02 41.32 4ota s PHE 50 CO 0.01 -0.52 -0.21 0.20 -1.46 0.00 0.00 175.22 173.25 4ota s GLY 51 N 1.40 1.57 -0.11 13.12 0.00 -1.26 -0.80 107.32 121.23 4ota s GLY 51 Ca 0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 4ota s GLY 51 CO -0.06 -1.19 -0.02 -0.42 0.00 0.00 0.00 173.10 171.40 4ota s ILE 52 N -0.97 0.68 -1.47 0.90 1.01 0.15 -4.75 121.20 116.75 4ota s ILE 52 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.61 4ota s ILE 52 Cb -0.10 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.52 4ota s ILE 52 CO 0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.82 4ota n GLY 53 N 5.04 0.10 1.65 6.18 0.00 -1.26 -2.21 105.19 114.68 4ota n GLY 53 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.01 0.75 3.11 -0.02 0.00 -1.26 -5.05 105.19 101.71 4ota n GLY 54 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.33 0.80 0.32 1.61 2.02 -0.94 -5.07 118.70 117.12 4ota s GLU 55 Ca 0.00 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.01 4ota s GLU 55 Cb 0.00 -0.77 -0.13 0.00 0.10 0.00 0.00 34.13 33.33 4ota s GLU 55 CO 0.00 0.19 1.09 1.28 0.02 0.00 0.00 175.26 177.83 4ota n LEU 56 N 1.92 2.41 0.17 1.80 4.77 -1.26 -0.68 117.00 126.12 4ota n LEU 56 Ca -0.18 1.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.99 4ota n LEU 56 Cb 0.55 -1.35 0.40 0.00 -2.33 0.00 0.00 43.42 40.69 4ota n LEU 56 CO 0.23 -1.15 0.82 0.00 -1.33 0.00 0.00 177.39 175.96 4ota h ALA 57 N 2.08 1.49 -0.68 -1.18 0.00 -1.10 -2.77 119.26 117.10 4ota h ALA 57 Ca -0.42 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.28 4ota h ALA 57 Cb 1.32 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 4ota h ALA 57 CO 0.61 0.37 0.41 0.66 0.00 0.00 0.00 179.25 181.30 4ota h SER 58 N 0.09 0.66 0.00 0.00 4.64 -1.82 -3.51 113.55 113.61 4ota h SER 58 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 4ota h SER 58 Cb 0.48 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 4ota h SER 58 CO 0.03 0.45 0.00 0.29 -0.87 0.00 0.00 176.83 176.73