#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4otb s ILE 2 N 0.00 0.75 -0.12 4.25 1.01 -1.26 -1.94 121.20 123.89 4otb s ILE 2 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 4otb s ILE 2 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 4otb s ILE 2 CO 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 174.94 174.95 4otb s ALA 3 N 1.79 3.01 -0.24 9.38 0.00 -0.23 -5.01 121.76 130.46 4otb s ALA 3 Ca 0.01 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.15 4otb s ALA 3 Cb -0.15 -1.42 0.05 0.00 0.00 0.00 0.00 23.12 21.60 4otb s ALA 3 CO -0.07 0.38 -0.13 -1.14 0.00 0.00 0.00 175.76 174.80 4otb s GLN 4 N -0.19 2.41 -0.15 0.00 0.74 -1.26 -0.96 119.66 120.25 4otb s GLN 4 Ca 0.03 -1.21 -0.07 0.00 0.05 0.00 0.00 55.36 54.16 4otb s GLN 4 Cb -0.13 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 4otb s GLN 4 CO 0.03 -0.48 0.07 0.42 -0.55 0.00 0.00 175.29 174.78 4otb s ILE 5 N 1.16 4.91 -0.30 -2.34 1.01 -0.22 -4.99 121.20 120.42 4otb s ILE 5 Ca -0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 4otb s ILE 5 Cb -0.18 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 4otb s ILE 5 CO -0.07 0.52 0.11 -1.00 0.00 0.00 0.00 174.94 174.51 4otb s HIS 6 N -0.17 3.16 0.12 3.97 3.76 -1.26 -0.92 115.29 123.95 4otb s HIS 6 Ca 0.08 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.30 4otb s HIS 6 Cb -0.12 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 4otb s HIS 6 CO 0.01 -0.51 -0.17 0.96 -0.85 0.00 0.00 174.74 174.18 4otb s ILE 7 N 1.56 1.55 0.40 0.60 -4.36 -0.24 -4.98 121.20 115.73 4otb s ILE 7 Ca 0.04 -1.68 -0.25 0.00 -0.26 0.00 0.00 60.65 58.49 4otb s ILE 7 Cb -0.17 -1.58 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 4otb s ILE 7 CO 0.04 -0.27 1.15 -0.76 0.24 0.00 0.00 174.94 175.35 4otb s LEU 8 N -2.29 4.19 0.59 0.37 1.43 -1.26 -0.10 118.68 121.62 4otb s LEU 8 Ca 0.09 2.30 -0.20 0.00 -1.03 0.00 0.00 54.13 55.29 4otb s LEU 8 Cb -0.07 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 4otb s LEU 8 CO 0.04 -0.64 1.32 -1.84 0.23 0.00 0.00 176.35 175.47 4otb n GLU 9 N 0.08 1.45 0.00 1.70 0.28 0.28 -4.41 120.64 120.02 4otb n GLU 9 Ca 0.04 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 4otb n GLU 9 Cb 0.47 -2.55 0.00 0.00 1.43 0.00 0.00 31.44 30.79 4otb n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 4otb n GLY 10 N 0.84 1.19 3.86 -1.84 0.00 -1.26 -4.90 105.19 103.08 4otb n GLY 10 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 4otb n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4otb s ARG 11 N 0.00 3.26 0.66 1.61 1.81 -1.26 -5.07 118.95 119.95 4otb s ARG 11 Ca 0.00 0.71 -0.07 0.00 -1.72 0.00 0.00 55.73 54.65 4otb s ARG 11 Cb 0.00 -2.04 0.03 0.00 -0.45 0.00 0.00 34.95 32.49 4otb s ARG 11 CO 0.00 -0.81 0.98 -1.54 -0.68 0.00 0.00 175.30 173.25 4otb s SER 12 N -4.15 5.22 0.28 0.23 1.04 -1.26 -4.93 113.70 110.13 4otb s SER 12 Ca 0.56 0.65 -0.02 0.00 0.48 0.00 0.00 55.95 57.62 4otb s SER 12 Cb -0.12 -1.46 0.39 0.00 0.10 0.00 0.00 66.02 64.94 4otb s SER 12 CO 0.54 -1.34 1.85 0.44 0.98 0.00 0.00 173.24 175.71 4otb h ASP 13 N -0.43 0.83 -0.41 7.02 5.19 -1.99 -1.95 116.42 124.69 4otb h ASP 13 Ca -0.45 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 55.73 4otb h ASP 13 Cb 1.28 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 4otb h ASP 13 CO 0.61 0.76 -0.15 -0.33 -3.12 0.00 0.00 179.24 177.00 4otb h GLU 14 N 0.89 0.89 -0.52 3.56 3.07 -1.98 -0.45 114.58 120.03 4otb h GLU 14 Ca 0.21 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.66 4otb h GLU 14 Cb 0.20 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 4otb h GLU 14 CO -0.02 0.98 0.03 1.96 -1.40 0.00 0.00 179.01 180.56 4otb h GLN 15 N 0.79 0.85 0.00 2.33 4.20 -1.82 -0.69 115.11 120.76 4otb h GLN 15 Ca 0.12 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 4otb h GLN 15 Cb 0.69 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 4otb h GLN 15 CO 0.05 0.83 -0.87 0.87 -0.67 0.00 0.00 178.83 179.05 4otb h LYS 16 N 0.80 0.00 -0.18 1.46 1.57 -1.19 -2.08 116.57 116.94 4otb h LYS 16 Ca 0.16 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 4otb h LYS 16 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 4otb h LYS 16 CO 0.02 0.83 -0.49 1.49 -0.57 0.00 0.00 179.45 180.72 4otb h GLU 17 N 0.00 0.49 -0.07 3.15 4.81 -0.74 -1.61 114.58 120.60 4otb h GLU 17 Ca -0.02 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 4otb h GLU 17 Cb 1.65 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.06 4otb h GLU 17 CO 0.11 0.87 -0.05 1.15 -0.73 0.00 0.00 179.01 180.37 4otb h THR 18 N 0.39 1.34 -0.52 0.32 2.02 -1.11 -2.52 112.91 112.84 4otb h THR 18 Ca 0.02 -1.12 0.09 0.00 0.77 0.00 0.00 66.41 66.17 4otb h THR 18 Cb 1.00 1.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.28 4otb h THR 18 CO 0.09 0.31 0.12 0.25 0.37 0.00 0.00 175.52 176.66 4otb h LEU 19 N -0.25 0.04 -1.26 2.58 5.85 -1.26 0.19 115.31 121.20 4otb h LEU 19 Ca 0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 4otb h LEU 19 Cb 0.52 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 4otb h LEU 19 CO 0.01 0.05 0.31 0.40 -0.34 0.00 0.00 178.44 178.86 4otb h ILE 20 N 0.27 1.19 0.03 4.05 2.04 -1.24 -1.36 117.51 122.48 4otb h ILE 20 Ca 0.26 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 4otb h ILE 20 Cb 0.35 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 4otb h ILE 20 CO -0.33 0.21 -0.01 -0.09 0.00 0.00 0.00 178.15 177.93 4otb h ARG 21 N 0.82 -0.04 0.39 2.37 2.43 -0.73 -2.80 114.38 116.83 4otb h ARG 21 Ca 0.21 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 4otb h ARG 21 Cb 0.05 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 4otb h ARG 21 CO -0.03 0.61 -0.37 0.93 -1.51 0.00 0.00 179.97 179.60 4otb h GLU 22 N -0.74 -0.75 -0.54 0.20 4.39 -0.59 -1.69 114.58 114.85 4otb h GLU 22 Ca -0.00 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.79 4otb h GLU 22 Cb 0.67 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 4otb h GLU 22 CO 0.01 -0.50 0.36 0.28 -1.16 0.00 0.00 179.01 178.00 4otb h VAL 23 N -0.78 1.02 -0.28 3.13 2.07 -1.40 -1.28 116.25 118.73 4otb h VAL 23 Ca -0.03 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 4otb h VAL 23 Cb 0.70 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 4otb h VAL 23 CO -0.05 0.10 -0.23 0.28 0.02 0.00 0.00 177.57 177.69 4otb h SER 24 N 0.56 0.54 0.01 0.57 0.02 -1.15 -2.15 113.55 111.94 4otb h SER 24 Ca 0.23 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.80 4otb h SER 24 Cb 0.20 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.61 4otb h SER 24 CO -0.06 0.76 -0.78 -0.33 -1.14 0.00 0.00 176.83 175.28 4otb h GLU 25 N 0.48 0.52 -0.97 3.45 5.08 -0.53 -2.58 114.58 120.03 4otb h GLU 25 Ca 0.07 -0.57 0.12 0.00 -1.00 0.00 0.00 59.36 57.98 4otb h GLU 25 Cb 0.65 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 4otb h GLU 25 CO 0.05 1.20 0.62 0.00 -1.00 0.00 0.00 179.01 179.87 4otb h ALA 26 N 0.34 1.57 -0.09 3.43 0.00 -1.13 0.32 119.26 123.70 4otb h ALA 26 Ca -0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 4otb h ALA 26 Cb 1.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.06 4otb h ALA 26 CO 0.15 0.20 -0.25 0.82 0.00 0.00 0.00 179.25 180.17 4otb h ILE 27 N 0.96 1.41 0.05 0.00 2.04 -1.43 -1.84 117.51 118.69 4otb h ILE 27 Ca 0.47 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.76 4otb h ILE 27 Cb 0.48 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 4otb h ILE 27 CO -0.24 0.46 -0.24 -1.28 0.00 0.00 0.00 178.15 176.86 4otb h SER 28 N -0.14 -0.69 0.39 1.72 0.87 -0.91 -1.56 113.55 113.24 4otb h SER 28 Ca -0.01 0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 4otb h SER 28 Cb 0.87 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 4otb h SER 28 CO 0.05 -0.31 -0.62 0.08 -0.53 0.00 0.00 176.83 175.50 4otb h ARG 29 N -0.40 0.22 -0.23 2.24 0.11 -1.07 0.24 114.38 115.49 4otb h ARG 29 Ca 0.05 -0.15 -0.09 0.00 0.10 0.00 0.00 59.98 59.88 4otb h ARG 29 Cb 0.46 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 4otb h ARG 29 CO -0.18 0.76 -0.25 0.77 0.10 0.00 0.00 179.97 181.18 4otb h SER 30 N 0.16 0.44 -0.10 0.08 0.02 -1.10 -3.12 113.55 109.93 4otb h SER 30 Ca -0.01 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 4otb h SER 30 Cb 1.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.54 4otb h SER 30 CO 0.09 0.69 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 4otb n LEU 31 N -4.13 2.22 -3.43 5.07 4.77 -0.61 -4.97 117.00 115.93 4otb n LEU 31 Ca -0.00 -1.23 -0.25 0.00 -0.03 0.00 0.00 56.01 54.50 4otb n LEU 31 Cb 0.40 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 4otb n LEU 31 CO 0.42 0.46 0.07 -0.67 -1.33 0.00 0.00 177.39 176.34 4otb n ASP 32 N 0.65 -5.42 -4.86 -1.43 -0.08 0.68 -4.97 116.55 101.13 4otb n ASP 32 Ca 0.08 -0.48 -0.32 0.00 -1.51 0.00 0.00 54.79 52.56 4otb n ASP 32 Cb 0.33 -4.35 -0.05 0.00 2.34 0.00 0.00 41.12 39.39 4otb n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4otb s ALA 33 N -3.19 3.83 0.16 -1.67 0.00 -0.21 -5.02 121.76 115.66 4otb s ALA 33 Ca 0.47 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 51.26 4otb s ALA 33 Cb -0.22 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 4otb s ALA 33 CO 0.58 0.77 1.67 -1.25 0.00 0.00 0.00 175.76 177.53 4otb s PRO 34 N -2.19 4.17 0.35 0.00 0.04 -1.26 -4.60 135.00 131.51 4otb s PRO 34 Ca 0.29 2.47 0.11 0.00 0.04 0.00 0.00 61.00 63.92 4otb s PRO 34 Cb -0.13 -3.25 0.90 0.00 0.04 0.00 0.00 34.50 32.07 4otb s PRO 34 CO 0.22 -0.70 1.79 1.25 0.04 0.00 0.00 177.00 179.59 4otb h LEU 35 N 7.28 0.63 -1.54 -3.56 5.85 -1.92 0.77 115.31 122.82 4otb h LEU 35 Ca -0.43 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 4otb h LEU 35 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 4otb h LEU 35 CO 0.94 0.20 0.00 0.71 -0.34 0.00 0.00 178.44 179.94 4otb h THR 36 N 0.60 0.00 0.00 1.05 1.35 -1.98 -1.42 112.91 112.51 4otb h THR 36 Ca 0.57 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 4otb h THR 36 Cb 1.11 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 4otb h THR 36 CO -0.33 0.00 -1.05 -1.54 -0.25 0.00 0.00 175.52 172.35 4otb n SER 37 N -2.35 0.64 -4.74 5.36 3.41 0.26 -4.92 113.62 111.27 4otb n SER 37 Ca -0.01 0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 4otb n SER 37 Cb 0.06 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 4otb n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4otb s VAL 38 N -3.28 3.45 -0.09 -3.33 1.01 -0.54 -3.94 120.40 113.68 4otb s VAL 38 Ca 0.02 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.24 4otb s VAL 38 Cb 0.13 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.73 4otb s VAL 38 CO 0.79 0.21 -0.08 -0.13 0.00 0.00 0.00 175.10 175.90 4otb s ARG 39 N -0.42 1.43 0.03 2.72 1.81 -0.82 -5.02 118.95 118.69 4otb s ARG 39 Ca 0.52 -0.25 0.07 0.00 -1.72 0.00 0.00 55.73 54.36 4otb s ARG 39 Cb -0.34 -1.44 -0.03 0.00 -0.45 0.00 0.00 34.95 32.69 4otb s ARG 39 CO 0.38 -0.19 -0.18 0.08 -0.68 0.00 0.00 175.30 174.71 4otb s VAL 40 N 1.45 2.79 -0.08 3.52 1.01 -1.26 -1.06 120.40 126.76 4otb s VAL 40 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.84 4otb s VAL 40 Cb -0.13 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.11 4otb s VAL 40 CO -0.05 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.73 4otb s ILE 41 N -0.90 0.79 -0.15 2.22 1.01 -0.13 -4.98 121.20 119.06 4otb s ILE 41 Ca 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 4otb s ILE 41 Cb -0.10 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 4otb s ILE 41 CO 0.05 0.31 0.08 -0.63 0.00 0.00 0.00 174.94 174.75 4otb s ILE 42 N 1.41 5.01 -0.17 2.92 1.01 -1.26 -1.05 121.20 129.06 4otb s ILE 42 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.67 4otb s ILE 42 Cb -0.13 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.15 4otb s ILE 42 CO -0.04 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 4otb s THR 43 N -0.18 1.48 0.21 2.92 2.01 -0.10 -4.96 115.64 117.02 4otb s THR 43 Ca 0.08 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 4otb s THR 43 Cb -0.12 -1.52 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 4otb s THR 43 CO 0.01 0.26 0.67 -1.61 -0.69 0.00 0.00 174.62 173.26 4otb s GLU 44 N 1.49 4.15 -0.05 4.92 2.02 -1.26 -1.08 118.70 128.90 4otb s GLU 44 Ca 0.01 0.74 0.05 0.00 0.02 0.00 0.00 54.97 55.79 4otb s GLU 44 Cb -0.15 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 4otb s GLU 44 CO -0.09 0.40 -0.18 -1.64 0.02 0.00 0.00 175.26 173.76 4otb s MET 45 N -2.07 2.46 0.41 1.61 -1.94 0.86 -4.88 119.30 115.75 4otb s MET 45 Ca 0.43 -0.78 -0.24 0.00 -1.71 0.00 0.00 55.69 53.39 4otb s MET 45 Cb -0.16 -2.29 -0.08 0.00 2.01 0.00 0.00 34.83 34.31 4otb s MET 45 CO 0.20 0.56 1.10 0.00 -0.01 0.00 0.00 175.02 176.87 4otb s ALA 46 N -0.58 3.08 0.62 3.03 0.00 -1.26 -0.56 121.76 126.09 4otb s ALA 46 Ca 0.08 0.81 0.27 0.00 0.00 0.00 0.00 51.96 53.13 4otb s ALA 46 Cb -0.11 -3.32 1.43 0.00 0.00 0.00 0.00 23.12 21.11 4otb s ALA 46 CO 0.01 -0.38 1.83 0.87 0.00 0.00 0.00 175.76 178.08 4otb h LYS 47 N 2.44 0.00 -0.67 0.00 1.79 -1.96 0.45 116.57 118.63 4otb h LYS 47 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 4otb h LYS 47 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 4otb h LYS 47 CO 0.62 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 4otb n GLY 48 N -1.41 2.20 0.31 3.86 0.00 -1.26 -2.17 105.19 106.72 4otb n GLY 48 Ca 0.05 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.36 4otb n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4otb n HIS 49 N 1.37 0.19 -4.03 1.61 8.25 0.16 -4.96 115.22 117.81 4otb n HIS 49 Ca 0.23 -0.41 -0.29 0.00 -0.26 0.00 0.00 57.72 56.99 4otb n HIS 49 Cb 0.62 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.53 4otb n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4otb s PHE 50 N -0.91 1.94 -0.09 4.41 5.36 -1.23 -4.87 117.98 122.59 4otb s PHE 50 Ca 0.11 -1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 55.02 4otb s PHE 50 Cb 0.06 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 4otb s PHE 50 CO 0.08 -0.60 -0.02 0.20 -1.46 0.00 0.00 175.22 173.41 4otb s GLY 51 N 1.50 1.79 -0.21 13.12 0.00 -1.26 0.53 107.32 122.79 4otb s GLY 51 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 4otb s GLY 51 CO -0.09 -0.50 0.01 -0.42 0.00 0.00 0.00 173.10 172.10 4otb s ILE 52 N -0.62 0.83 -0.58 0.90 1.01 0.37 -4.73 121.20 118.37 4otb s ILE 52 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.98 4otb s ILE 52 Cb -0.12 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.09 4otb s ILE 52 CO 0.02 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.39 4otb n GLY 53 N 4.93 0.75 0.00 6.18 0.00 -1.26 -2.56 105.19 113.23 4otb n GLY 53 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.61 4otb n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4otb n GLY 54 N -1.46 3.30 3.90 -0.02 0.00 -1.26 -5.07 105.19 104.58 4otb n GLY 54 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 4otb n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4otb s GLU 55 N -0.83 3.65 0.51 1.61 0.41 -1.06 -5.02 118.70 117.97 4otb s GLU 55 Ca 0.00 -0.01 -0.20 0.00 -0.41 0.00 0.00 54.97 54.35 4otb s GLU 55 Cb 0.00 -2.72 -0.07 0.00 -1.78 0.00 0.00 34.13 29.56 4otb s GLU 55 CO 0.00 0.32 1.08 -0.51 -0.49 0.00 0.00 175.26 175.66 4otb s LEU 56 N -3.18 3.80 0.34 1.80 1.02 -1.26 -0.48 118.68 120.72 4otb s LEU 56 Ca 0.43 2.05 0.01 0.00 0.02 0.00 0.00 54.13 56.64 4otb s LEU 56 Cb -0.11 -4.57 0.59 0.00 0.02 0.00 0.00 46.19 42.12 4otb s LEU 56 CO 0.27 -0.99 2.00 0.00 0.02 0.00 0.00 176.35 177.64 4otb h ALA 57 N 1.39 1.51 -0.19 4.21 0.00 0.12 -2.70 119.26 123.59 4otb h ALA 57 Ca -0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 4otb h ALA 57 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 4otb h ALA 57 CO 0.58 0.45 -0.09 0.66 0.00 0.00 0.00 179.25 180.85 4otb h SER 58 N 0.91 0.28 -0.01 0.00 4.64 -1.70 -3.50 113.55 114.16 4otb h SER 58 Ca 0.24 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 4otb h SER 58 Cb -0.09 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 4otb h SER 58 CO -0.05 0.40 0.00 2.29 -0.87 0.00 0.00 176.83 178.60