#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 0.58 -0.13 4.25 1.01 -1.26 -1.85 121.20 123.81 4otb s ILE 2 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 4otb s ILE 2 Cb 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 4otb s ILE 2 CO 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 174.94 174.93 4otb s ALA 3 N 1.86 2.99 -0.24 9.38 0.00 -0.39 -5.01 121.76 130.36 4otb s ALA 3 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.16 4otb s ALA 3 Cb -0.15 -1.46 0.05 0.00 0.00 0.00 0.00 23.12 21.56 4otb s ALA 3 CO -0.07 0.32 -0.13 -1.14 0.00 0.00 0.00 175.76 174.74 4otb s GLN 4 N 0.04 2.51 -0.18 0.00 0.74 -1.26 -0.89 119.66 120.63 4otb s GLN 4 Ca -0.00 -1.16 -0.07 0.00 0.05 0.00 0.00 55.36 54.17 4otb s GLN 4 Cb -0.13 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 4otb s GLN 4 CO 0.03 -0.45 0.05 0.42 -0.55 0.00 0.00 175.29 174.79 4otb s ILE 5 N 1.18 4.67 -0.30 -2.34 1.01 -0.03 -4.99 121.20 120.40 4otb s ILE 5 Ca -0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 4otb s ILE 5 Cb -0.18 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 4otb s ILE 5 CO -0.07 0.47 0.17 -1.00 0.00 0.00 0.00 174.94 174.51 4otb s HIS 6 N 0.35 3.19 0.11 3.97 3.76 -1.26 -0.81 115.29 124.60 4otb s HIS 6 Ca 0.02 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.77 4otb s HIS 6 Cb -0.13 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 4otb s HIS 6 CO 0.00 -0.31 -0.14 0.96 -0.85 0.00 0.00 174.74 174.40 4otb s ILE 7 N 1.69 1.27 0.37 0.60 -4.36 -0.21 -4.98 121.20 115.58 4otb s ILE 7 Ca 0.06 -1.60 -0.26 0.00 -0.26 0.00 0.00 60.65 58.58 4otb s ILE 7 Cb -0.16 -1.41 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 4otb s ILE 7 CO 0.08 -0.36 1.16 -0.76 0.24 0.00 0.00 174.94 175.30 4otb s LEU 8 N -2.25 4.28 0.58 0.37 1.43 -1.26 0.09 118.68 121.92 4otb s LEU 8 Ca 0.06 2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 55.29 4otb s LEU 8 Cb -0.06 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 4otb s LEU 8 CO 0.03 -0.54 1.25 -1.84 0.23 0.00 0.00 176.35 175.48 4otb n GLU 9 N 0.36 1.36 0.00 1.70 0.28 0.15 -4.45 120.64 120.04 4otb n GLU 9 Ca 0.03 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 4otb n GLU 9 Cb 0.46 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.87 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 0.93 1.07 3.89 -1.84 0.00 -1.26 -4.90 105.19 103.08 4otb n GLY 10 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 3.30 0.66 1.61 1.81 -1.26 -5.07 118.95 119.99 4otb s ARG 11 Ca 0.00 0.48 -0.07 0.00 -1.72 0.00 0.00 55.73 54.42 4otb s ARG 11 Cb 0.00 -2.14 0.03 0.00 -0.45 0.00 0.00 34.95 32.40 4otb s ARG 11 CO 0.00 -0.65 0.98 -1.54 -0.68 0.00 0.00 175.30 173.41 4otb s SER 12 N -4.23 5.23 0.27 0.23 1.04 -1.26 -4.93 113.70 110.04 4otb s SER 12 Ca 0.54 0.67 -0.03 0.00 0.48 0.00 0.00 55.95 57.62 4otb s SER 12 Cb -0.11 -1.48 0.35 0.00 0.10 0.00 0.00 66.02 64.88 4otb s SER 12 CO 0.51 -1.34 1.84 0.44 0.98 0.00 0.00 173.24 175.67 4otb h ASP 13 N -0.44 0.88 -0.29 7.02 5.19 -1.99 -1.95 116.42 124.85 4otb h ASP 13 Ca -0.45 -0.13 -0.10 0.00 -0.62 0.00 0.00 57.03 55.73 4otb h ASP 13 Cb 1.28 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 4otb h ASP 13 CO 0.61 0.80 -0.18 -0.33 -3.12 0.00 0.00 179.24 177.02 4otb h GLU 14 N 0.95 0.75 -0.63 3.56 3.07 -1.98 -1.02 114.58 119.26 4otb h GLU 14 Ca 0.22 -0.28 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 4otb h GLU 14 Cb 0.19 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 4otb h GLU 14 CO -0.02 0.87 0.05 1.96 -1.40 0.00 0.00 179.01 180.48 4otb h GLN 15 N 0.66 1.07 0.00 2.33 4.20 -1.82 -1.01 115.11 120.54 4otb h GLN 15 Ca 0.10 -0.31 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 4otb h GLN 15 Cb 0.67 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 4otb h GLN 15 CO 0.05 1.01 -0.74 0.87 -0.67 0.00 0.00 178.83 179.35 4otb h LYS 16 N 0.99 0.00 -0.16 1.46 1.57 -1.19 -1.60 116.57 117.65 4otb h LYS 16 Ca 0.19 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 4otb h LYS 16 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 4otb h LYS 16 CO 0.02 0.74 -0.52 1.49 -0.57 0.00 0.00 179.45 180.61 4otb h GLU 17 N 0.00 0.44 -0.08 3.15 4.81 -0.96 -1.61 114.58 120.33 4otb h GLU 17 Ca -0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 4otb h GLU 17 Cb 1.45 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 4otb h GLU 17 CO 0.10 0.85 -0.08 1.15 -0.73 0.00 0.00 179.01 180.30 4otb h THR 18 N 0.34 1.36 -0.64 0.32 2.02 -1.08 -2.56 112.91 112.67 4otb h THR 18 Ca 0.01 -1.22 0.09 0.00 0.77 0.00 0.00 66.41 66.06 4otb h THR 18 Cb 1.03 2.00 -0.07 0.00 -1.74 0.00 0.00 68.15 69.37 4otb h THR 18 CO 0.09 0.34 0.28 0.25 0.37 0.00 0.00 175.52 176.85 4otb h LEU 19 N -0.23 0.33 -1.14 2.58 5.85 -1.17 0.93 115.31 122.47 4otb h LEU 19 Ca 0.01 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 4otb h LEU 19 Cb 0.58 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 4otb h LEU 19 CO 0.02 0.20 0.27 0.40 -0.34 0.00 0.00 178.44 178.99 4otb h ILE 20 N 0.49 1.21 0.00 4.05 2.04 -1.25 -1.38 117.51 122.67 4otb h ILE 20 Ca 0.32 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 4otb h ILE 20 Cb 0.35 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 4otb h ILE 20 CO -0.28 0.25 -0.00 -0.09 0.00 0.00 0.00 178.15 178.04 4otb h ARG 21 N 0.87 -0.00 0.37 2.37 2.43 -0.84 -2.66 114.38 116.93 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 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 4otb h ARG 21 CO -0.02 0.69 -0.34 0.93 -1.51 0.00 0.00 179.97 179.72 4otb h GLU 22 N -0.69 -0.70 -0.45 0.20 4.39 -0.80 -1.75 114.58 114.79 4otb h GLU 22 Ca -0.00 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 4otb h GLU 22 Cb 0.69 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 4otb h GLU 22 CO 0.00 -0.46 0.26 0.28 -1.16 0.00 0.00 179.01 177.93 4otb h VAL 23 N -0.72 1.13 -0.50 3.13 2.07 -1.40 -1.59 116.25 118.37 4otb h VAL 23 Ca -0.03 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 4otb h VAL 23 Cb 0.64 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 4otb h VAL 23 CO -0.04 0.14 0.03 0.28 0.02 0.00 0.00 177.57 178.00 4otb h SER 24 N 0.61 0.79 -0.07 0.57 0.02 -1.05 -2.17 113.55 112.26 4otb h SER 24 Ca 0.16 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 4otb h SER 24 Cb -0.01 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.33 4otb h SER 24 CO -0.03 0.84 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.73 4otb h GLU 25 N 0.77 0.41 -0.95 3.45 5.08 -0.84 -2.51 114.58 119.99 4otb h GLU 25 Ca 0.15 -0.36 0.15 0.00 -1.00 0.00 0.00 59.36 58.31 4otb h GLU 25 Cb 0.43 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 4otb h GLU 25 CO 0.02 1.00 0.60 0.00 -1.00 0.00 0.00 179.01 179.63 4otb h ALA 26 N 0.42 1.74 -0.08 3.43 0.00 -1.16 0.93 119.26 124.53 4otb h ALA 26 Ca -0.04 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 4otb h ALA 26 Cb 1.10 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.77 4otb h ALA 26 CO 0.09 -0.02 -0.46 0.82 0.00 0.00 0.00 179.25 179.68 4otb h ILE 27 N 0.77 1.39 0.10 0.00 2.04 -1.41 -1.94 117.51 118.46 4otb h ILE 27 Ca 0.50 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.54 4otb h ILE 27 Cb 0.74 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 4otb h ILE 27 CO -0.26 0.54 -0.16 -1.28 0.00 0.00 0.00 178.15 176.99 4otb h SER 28 N 0.01 -0.43 0.42 1.72 0.87 -0.79 -1.73 113.55 113.62 4otb h SER 28 Ca -0.03 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 4otb h SER 28 Cb 1.11 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 4otb h SER 28 CO 0.09 -0.23 -0.66 0.08 -0.53 0.00 0.00 176.83 175.58 4otb h ARG 29 N -0.31 0.23 -0.27 2.24 0.11 -0.96 0.22 114.38 115.63 4otb h ARG 29 Ca 0.02 -0.17 -0.10 0.00 0.10 0.00 0.00 59.98 59.83 4otb h ARG 29 Cb 0.32 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 4otb h ARG 29 CO -0.08 0.81 -0.25 0.77 0.10 0.00 0.00 179.97 181.32 4otb h SER 30 N 0.16 0.53 -0.09 0.08 0.02 -1.21 -3.15 113.55 109.89 4otb h SER 30 Ca -0.01 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 4otb h SER 30 Cb 1.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 4otb h SER 30 CO 0.10 0.78 0.00 0.18 -1.14 0.00 0.00 176.83 176.75 4otb n LEU 31 N -4.12 2.31 -3.35 5.07 4.77 -0.66 -4.97 117.00 116.04 4otb n LEU 31 Ca -0.00 -1.18 -0.24 0.00 -0.03 0.00 0.00 56.01 54.56 4otb n LEU 31 Cb 0.41 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 4otb n LEU 31 CO 0.42 0.46 0.06 -0.67 -1.33 0.00 0.00 177.39 176.34 4otb n ASP 32 N 0.76 -5.54 -4.85 -1.43 -0.08 0.60 -4.97 116.55 101.04 4otb n ASP 32 Ca 0.09 -0.44 -0.32 0.00 -1.51 0.00 0.00 54.79 52.61 4otb n ASP 32 Cb 0.36 -4.45 -0.06 0.00 2.34 0.00 0.00 41.12 39.31 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 -3.18 3.78 0.19 -1.67 0.00 -0.19 -5.02 121.76 115.67 4otb s ALA 33 Ca 0.44 -0.84 -0.32 0.00 0.00 0.00 0.00 51.96 51.24 4otb s ALA 33 Cb -0.21 -1.71 -0.11 0.00 0.00 0.00 0.00 23.12 21.09 4otb s ALA 33 CO 0.54 0.74 1.69 -1.25 0.00 0.00 0.00 175.76 177.49 4otb s PRO 34 N -2.00 4.15 0.30 0.00 0.04 -1.26 -4.59 135.00 131.64 4otb s PRO 34 Ca 0.27 2.55 0.06 0.00 0.04 0.00 0.00 61.00 63.92 4otb s PRO 34 Cb -0.12 -3.14 0.75 0.00 0.04 0.00 0.00 34.50 32.03 4otb s PRO 34 CO 0.19 -0.73 1.76 1.25 0.04 0.00 0.00 177.00 179.51 4otb h LEU 35 N 6.95 0.74 -1.63 -3.56 5.85 -1.92 0.40 115.31 122.13 4otb h LEU 35 Ca -0.43 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.39 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 0.95 0.24 0.05 0.71 -0.34 0.00 0.00 178.44 180.04 4otb h THR 36 N 0.72 0.00 0.00 1.05 1.35 -1.98 -1.20 112.91 112.84 4otb h THR 36 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.44 4otb h THR 36 Cb 0.94 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 4otb h THR 36 CO -0.40 0.00 -1.11 -1.54 -0.25 0.00 0.00 175.52 172.22 4otb n SER 37 N -2.38 0.62 -4.73 5.36 3.41 0.13 -4.92 113.62 111.10 4otb n SER 37 Ca -0.02 0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 4otb n SER 37 Cb 0.08 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 64.78 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 -3.30 3.55 -0.11 -3.33 1.01 -0.46 -3.93 120.40 113.84 4otb s VAL 38 Ca 0.01 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.25 4otb s VAL 38 Cb 0.13 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.72 4otb s VAL 38 CO 0.80 0.18 -0.12 -0.13 0.00 0.00 0.00 175.10 175.83 4otb s ARG 39 N 0.06 1.91 0.03 2.72 1.81 -0.77 -5.02 118.95 119.69 4otb s ARG 39 Ca 0.55 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 54.20 4otb s ARG 39 Cb -0.33 -1.73 -0.03 0.00 -0.45 0.00 0.00 34.95 32.41 4otb s ARG 39 CO 0.35 -0.13 -0.20 0.08 -0.68 0.00 0.00 175.30 174.72 4otb s VAL 40 N 1.22 2.61 -0.08 3.52 1.01 -1.26 -1.26 120.40 126.16 4otb s VAL 40 Ca -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.76 4otb s VAL 40 Cb -0.14 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.20 4otb s VAL 40 CO -0.04 0.38 -0.07 -0.63 0.00 0.00 0.00 175.10 174.75 4otb s ILE 41 N -0.86 0.83 -0.15 2.22 1.01 -0.07 -4.98 121.20 119.19 4otb s ILE 41 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 4otb s ILE 41 Cb -0.10 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 4otb s ILE 41 CO 0.04 0.31 0.07 -0.63 0.00 0.00 0.00 174.94 174.73 4otb s ILE 42 N 1.31 4.90 -0.19 2.92 1.01 -1.26 -0.85 121.20 129.03 4otb s ILE 42 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.61 4otb s ILE 42 Cb -0.14 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.21 4otb s ILE 42 CO -0.03 0.52 -0.09 -0.89 0.00 0.00 0.00 174.94 174.45 4otb s THR 43 N -0.13 1.54 0.22 2.92 2.01 0.01 -4.95 115.64 117.26 4otb s THR 43 Ca 0.07 -0.94 -0.19 0.00 0.31 0.00 0.00 61.69 60.95 4otb s THR 43 Cb -0.12 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 4otb s THR 43 CO 0.01 0.16 0.71 -1.61 -0.69 0.00 0.00 174.62 173.20 4otb s GLU 44 N 1.44 4.23 -0.08 4.92 2.02 -1.25 -1.04 118.70 128.93 4otb s GLU 44 Ca -0.01 0.84 0.02 0.00 0.02 0.00 0.00 54.97 55.84 4otb s GLU 44 Cb -0.16 -2.88 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 4otb s GLU 44 CO -0.08 0.40 -0.14 -1.64 0.02 0.00 0.00 175.26 173.81 4otb s MET 45 N -1.98 2.84 0.40 1.61 -1.94 0.11 -4.88 119.30 115.46 4otb s MET 45 Ca 0.43 -0.70 -0.25 0.00 -1.71 0.00 0.00 55.69 53.45 4otb s MET 45 Cb -0.16 -2.46 -0.08 0.00 2.01 0.00 0.00 34.83 34.13 4otb s MET 45 CO 0.21 0.45 1.14 0.00 -0.01 0.00 0.00 175.02 176.81 4otb s ALA 46 N -0.29 3.14 0.63 3.03 0.00 -1.26 -0.67 121.76 126.34 4otb s ALA 46 Ca 0.02 0.91 0.27 0.00 0.00 0.00 0.00 51.96 53.16 4otb s ALA 46 Cb -0.13 -3.36 1.41 0.00 0.00 0.00 0.00 23.12 21.04 4otb s ALA 46 CO 0.03 -0.46 1.81 0.87 0.00 0.00 0.00 175.76 178.01 4otb h LYS 47 N 2.63 0.00 -0.65 0.00 1.79 -1.96 0.67 116.57 119.05 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 -1.38 2.14 0.24 3.86 0.00 -1.26 -2.09 105.19 106.70 4otb n GLY 48 Ca 0.03 -0.72 0.02 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 1.30 0.14 -4.10 1.61 8.25 0.23 -4.96 115.22 117.70 4otb n HIS 49 Ca 0.22 -0.38 -0.29 0.00 -0.26 0.00 0.00 57.72 57.01 4otb n HIS 49 Cb 0.61 -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 -0.86 1.96 -0.05 4.41 5.36 -1.23 -4.86 117.98 122.72 4otb s PHE 50 Ca 0.08 -1.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 4otb s PHE 50 Cb 0.05 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.23 4otb s PHE 50 CO 0.06 -0.59 -0.05 0.20 -1.46 0.00 0.00 175.22 173.39 4otb s GLY 51 N 1.41 1.75 -0.20 13.12 0.00 -1.26 0.67 107.32 122.81 4otb s GLY 51 Ca 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 4otb s GLY 51 CO -0.08 -0.71 0.01 -0.42 0.00 0.00 0.00 173.10 171.90 4otb s ILE 52 N -0.89 0.73 -0.90 0.90 1.01 0.51 -4.75 121.20 117.81 4otb s ILE 52 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.12 4otb s ILE 52 Cb -0.11 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.18 4otb s ILE 52 CO 0.04 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.42 4otb n GLY 53 N 4.97 0.99 0.00 6.18 0.00 -1.26 -2.45 105.19 113.63 4otb n GLY 53 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.31 3.37 3.90 -0.02 0.00 -1.26 -5.06 105.19 104.81 4otb n GLY 54 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.87 3.64 0.51 1.61 0.41 -1.02 -5.03 118.70 117.95 4otb s GLU 55 Ca 0.00 -0.04 -0.20 0.00 -0.41 0.00 0.00 54.97 54.32 4otb s GLU 55 Cb 0.00 -2.78 -0.07 0.00 -1.78 0.00 0.00 34.13 29.50 4otb s GLU 55 CO 0.00 0.40 1.10 -0.51 -0.49 0.00 0.00 175.26 175.76 4otb s LEU 56 N -2.88 3.84 0.35 1.80 1.02 -1.26 -0.36 118.68 121.19 4otb s LEU 56 Ca 0.42 2.12 0.03 0.00 0.02 0.00 0.00 54.13 56.72 4otb s LEU 56 Cb -0.12 -4.51 0.65 0.00 0.02 0.00 0.00 46.19 42.24 4otb s LEU 56 CO 0.25 -1.01 2.01 0.00 0.02 0.00 0.00 176.35 177.62 4otb h ALA 57 N 1.49 1.57 -0.11 4.21 0.00 0.26 -2.69 119.26 123.98 4otb h ALA 57 Ca -0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 4otb h ALA 57 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 4otb h ALA 57 CO 0.58 0.40 -0.14 0.66 0.00 0.00 0.00 179.25 180.74 4otb h SER 58 N 0.84 0.17 -0.01 0.00 4.64 -1.68 -3.50 113.55 114.01 4otb h SER 58 Ca 0.23 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 4otb h SER 58 Cb -0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 4otb h SER 58 CO -0.05 0.34 0.00 2.29 -0.87 0.00 0.00 176.83 178.53