#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 0.30 -0.10 4.25 1.01 -1.26 -2.02 121.20 123.38 4otb s ILE 2 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 4otb s ILE 2 Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 4otb s ILE 2 CO 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 174.94 174.89 4otb s ALA 3 N 1.98 3.07 -0.21 9.38 0.00 -0.14 -5.00 121.76 130.84 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 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.61 4otb s ALA 3 CO -0.07 0.46 -0.13 -1.14 0.00 0.00 0.00 175.76 174.89 4otb s GLN 4 N -0.46 2.34 -0.17 0.00 0.74 -1.26 -0.68 119.66 120.16 4otb s GLN 4 Ca 0.07 -0.99 -0.06 0.00 0.05 0.00 0.00 55.36 54.43 4otb s GLN 4 Cb -0.12 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 4otb s GLN 4 CO 0.02 -0.42 0.02 0.42 -0.55 0.00 0.00 175.29 174.79 4otb s ILE 5 N 1.28 4.43 -0.34 -2.34 1.01 0.07 -4.98 121.20 120.33 4otb s ILE 5 Ca -0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 4otb s ILE 5 Cb -0.17 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 4otb s ILE 5 CO -0.08 0.48 0.22 -1.00 0.00 0.00 0.00 174.94 174.56 4otb s HIS 6 N 0.33 3.22 0.13 3.97 3.76 -1.26 -0.94 115.29 124.50 4otb s HIS 6 Ca 0.00 -0.34 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 4otb s HIS 6 Cb -0.13 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 4otb s HIS 6 CO 0.01 -0.41 -0.18 0.96 -0.85 0.00 0.00 174.74 174.28 4otb s ILE 7 N 1.69 1.60 0.33 0.60 -4.36 -0.23 -4.98 121.20 115.84 4otb s ILE 7 Ca 0.06 -1.71 -0.28 0.00 -0.26 0.00 0.00 60.65 58.46 4otb s ILE 7 Cb -0.17 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 41.83 4otb s ILE 7 CO 0.09 -0.26 1.15 -0.76 0.24 0.00 0.00 174.94 175.40 4otb s LEU 8 N -2.31 4.41 0.55 0.37 1.43 -1.26 0.23 118.68 122.10 4otb s LEU 8 Ca 0.10 2.35 -0.21 0.00 -1.03 0.00 0.00 54.13 55.34 4otb s LEU 8 Cb -0.07 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 4otb s LEU 8 CO 0.05 -0.37 1.20 -1.84 0.23 0.00 0.00 176.35 175.61 4otb n GLU 9 N 0.74 1.38 0.00 1.70 0.28 0.26 -4.43 120.64 120.57 4otb n GLU 9 Ca 0.01 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 4otb n GLU 9 Cb 0.45 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.94 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 0.98 1.01 3.90 -1.84 0.00 -1.26 -4.89 105.19 103.09 4otb n GLY 10 Ca 0.12 0.00 -0.29 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 2.70 0.56 1.61 1.81 -1.26 -5.07 118.95 119.30 4otb s ARG 11 Ca 0.00 0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.19 4otb s ARG 11 Cb 0.00 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.42 4otb s ARG 11 CO 0.00 -1.03 0.84 -1.54 -0.68 0.00 0.00 175.30 172.89 4otb s SER 12 N -4.39 5.56 0.24 0.23 1.04 -1.26 -4.94 113.70 110.18 4otb s SER 12 Ca 0.58 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.46 4otb s SER 12 Cb -0.11 -1.54 0.25 0.00 0.10 0.00 0.00 66.02 64.72 4otb s SER 12 CO 0.49 -1.02 1.87 0.44 0.98 0.00 0.00 173.24 176.00 4otb h ASP 13 N -0.04 1.10 -0.17 7.02 5.19 -1.99 -1.71 116.42 125.83 4otb h ASP 13 Ca -0.45 -0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 55.78 4otb h ASP 13 Cb 1.26 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 4otb h ASP 13 CO 0.59 0.88 -0.17 -0.33 -3.12 0.00 0.00 179.24 177.09 4otb h GLU 14 N 1.24 0.57 -0.46 3.56 3.07 -1.98 -0.28 114.58 120.29 4otb h GLU 14 Ca 0.31 -0.19 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 4otb h GLU 14 Cb 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 4otb h GLU 14 CO -0.05 0.72 -0.21 1.96 -1.40 0.00 0.00 179.01 180.03 4otb h GLN 15 N 0.52 0.94 0.00 2.33 4.20 -1.80 -1.08 115.11 120.22 4otb h GLN 15 Ca 0.09 -0.39 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 4otb h GLN 15 Cb 0.59 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 4otb h GLN 15 CO 0.04 1.05 -0.61 0.87 -0.67 0.00 0.00 178.83 179.51 4otb h LYS 16 N 0.81 0.00 -0.08 1.46 1.57 -1.14 -1.75 116.57 117.44 4otb h LYS 16 Ca 0.11 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 4otb h LYS 16 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 4otb h LYS 16 CO 0.06 0.61 -0.68 1.49 -0.57 0.00 0.00 179.45 180.36 4otb h GLU 17 N 0.00 0.36 -0.15 3.15 4.81 -0.85 -1.96 114.58 119.94 4otb h GLU 17 Ca -0.01 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 4otb h GLU 17 Cb 1.39 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 4otb h GLU 17 CO 0.08 0.90 -0.17 1.15 -0.73 0.00 0.00 179.01 180.24 4otb h THR 18 N 0.25 1.35 -0.46 0.32 2.02 -1.15 -2.62 112.91 112.63 4otb h THR 18 Ca -0.02 -1.36 0.06 0.00 0.77 0.00 0.00 66.41 65.86 4otb h THR 18 Cb 1.23 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 4otb h THR 18 CO 0.11 0.40 0.16 0.25 0.37 0.00 0.00 175.52 176.82 4otb h LEU 19 N -0.00 0.17 -1.18 2.58 5.85 -1.27 0.11 115.31 121.58 4otb h LEU 19 Ca 0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 4otb h LEU 19 Cb 0.72 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 4otb h LEU 19 CO 0.04 0.13 0.35 0.40 -0.34 0.00 0.00 178.44 179.02 4otb h ILE 20 N 0.34 1.20 0.01 4.05 2.04 -1.33 -1.36 117.51 122.46 4otb h ILE 20 Ca 0.21 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 4otb h ILE 20 Cb 0.21 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 4otb h ILE 20 CO -0.22 0.23 -0.01 -0.09 0.00 0.00 0.00 178.15 178.07 4otb h ARG 21 N 0.92 -0.01 0.33 2.37 2.43 -0.95 -2.61 114.38 116.85 4otb h ARG 21 Ca 0.23 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 4otb h ARG 21 Cb 0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 4otb h ARG 21 CO -0.04 0.63 -0.28 0.93 -1.51 0.00 0.00 179.97 179.70 4otb h GLU 22 N -0.67 -0.60 -0.53 0.20 4.39 -0.70 -1.80 114.58 114.86 4otb h GLU 22 Ca -0.00 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.75 4otb h GLU 22 Cb 0.65 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 4otb h GLU 22 CO 0.00 -0.40 0.35 0.28 -1.16 0.00 0.00 179.01 178.08 4otb h VAL 23 N -0.62 1.13 -0.75 3.13 2.07 -1.38 -1.39 116.25 118.42 4otb h VAL 23 Ca -0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 4otb h VAL 23 Cb 0.56 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 4otb h VAL 23 CO -0.03 0.13 0.25 0.28 0.02 0.00 0.00 177.57 178.22 4otb h SER 24 N 0.71 1.08 -0.16 0.57 0.02 -1.03 -2.00 113.55 112.74 4otb h SER 24 Ca 0.20 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 4otb h SER 24 Cb -0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.20 4otb h SER 24 CO -0.04 0.99 -0.45 -0.33 -1.14 0.00 0.00 176.83 175.86 4otb h GLU 25 N 1.12 0.59 -0.84 3.45 5.08 -0.76 -2.42 114.58 120.80 4otb h GLU 25 Ca 0.24 -0.42 0.10 0.00 -1.00 0.00 0.00 59.36 58.29 4otb h GLU 25 Cb 0.29 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 4otb h GLU 25 CO -0.01 1.04 0.55 0.00 -1.00 0.00 0.00 179.01 179.58 4otb h ALA 26 N 0.55 1.74 -0.11 3.43 0.00 -1.08 0.84 119.26 124.62 4otb h ALA 26 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 4otb h ALA 26 Cb 1.07 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.70 4otb h ALA 26 CO 0.10 0.08 -0.59 0.82 0.00 0.00 0.00 179.25 179.66 4otb h ILE 27 N 0.77 1.34 0.20 0.00 2.04 -1.33 -1.84 117.51 118.69 4otb h ILE 27 Ca 0.39 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 4otb h ILE 27 Cb 0.48 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 4otb h ILE 27 CO -0.16 0.57 -0.09 -1.28 0.00 0.00 0.00 178.15 177.19 4otb h SER 28 N 0.23 -0.22 0.59 1.72 0.87 -0.76 -1.99 113.55 113.99 4otb h SER 28 Ca -0.04 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.35 4otb h SER 28 Cb 1.23 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 4otb h SER 28 CO 0.12 -0.14 -0.71 0.08 -0.53 0.00 0.00 176.83 175.66 4otb h ARG 29 N -0.29 0.10 -0.27 2.24 0.11 -0.97 0.11 114.38 115.41 4otb h ARG 29 Ca -0.03 -0.09 -0.10 0.00 0.10 0.00 0.00 59.98 59.87 4otb h ARG 29 Cb 0.22 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 4otb h ARG 29 CO 0.04 0.77 -0.26 0.77 0.10 0.00 0.00 179.97 181.39 4otb h SER 30 N 0.07 0.54 -0.15 0.08 0.02 -1.25 -3.15 113.55 109.71 4otb h SER 30 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 4otb h SER 30 Cb 1.25 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.65 4otb h SER 30 CO 0.10 0.79 0.00 0.18 -1.14 0.00 0.00 176.83 176.76 4otb n LEU 31 N -4.11 2.41 -3.71 5.07 4.77 -0.76 -4.97 117.00 115.71 4otb n LEU 31 Ca -0.00 -1.34 -0.28 0.00 -0.03 0.00 0.00 56.01 54.35 4otb n LEU 31 Cb 0.42 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 4otb n LEU 31 CO 0.43 0.52 0.09 -0.67 -1.33 0.00 0.00 177.39 176.43 4otb n ASP 32 N 0.70 -5.02 -4.83 -1.43 -0.08 0.24 -4.96 116.55 101.18 4otb n ASP 32 Ca 0.10 -0.64 -0.33 0.00 -1.51 0.00 0.00 54.79 52.40 4otb n ASP 32 Cb 0.37 -4.01 -0.06 0.00 2.34 0.00 0.00 41.12 39.75 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 -3.24 3.74 0.21 -1.67 0.00 -0.39 -5.03 121.76 115.39 4otb s ALA 33 Ca 0.59 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 4otb s ALA 33 Cb -0.29 -1.70 -0.11 0.00 0.00 0.00 0.00 23.12 21.03 4otb s ALA 33 CO 0.72 0.72 1.59 -1.25 0.00 0.00 0.00 175.76 177.54 4otb s PRO 34 N -1.85 4.18 0.31 0.00 0.04 -1.26 -4.60 135.00 131.83 4otb s PRO 34 Ca 0.25 2.45 0.07 0.00 0.04 0.00 0.00 61.00 63.80 4otb s PRO 34 Cb -0.12 -3.11 0.76 0.00 0.04 0.00 0.00 34.50 32.07 4otb s PRO 34 CO 0.16 -0.62 1.79 1.25 0.04 0.00 0.00 177.00 179.62 4otb h LEU 35 N 6.20 0.77 -1.60 -3.56 5.85 -1.93 -0.51 115.31 120.53 4otb h LEU 35 Ca -0.44 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 4otb h LEU 35 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 4otb h LEU 35 CO 0.88 0.28 0.02 0.71 -0.34 0.00 0.00 178.44 180.00 4otb h THR 36 N 0.75 0.00 0.00 1.05 1.35 -1.98 -1.27 112.91 112.81 4otb h THR 36 Ca 0.56 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.42 4otb h THR 36 Cb 0.89 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 4otb h THR 36 CO -0.35 0.00 -1.33 -1.54 -0.25 0.00 0.00 175.52 172.05 4otb n SER 37 N -2.35 0.58 -4.75 5.36 3.41 -0.20 -4.93 113.62 110.74 4otb n SER 37 Ca -0.02 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 4otb n SER 37 Cb 0.06 0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 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 -3.41 3.11 -0.09 -3.33 1.01 -0.48 -3.99 120.40 113.23 4otb s VAL 38 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.92 4otb s VAL 38 Cb 0.11 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.90 4otb s VAL 38 CO 0.83 0.17 -0.07 -0.13 0.00 0.00 0.00 175.10 175.89 4otb s ARG 39 N -0.53 1.35 -0.02 2.72 1.81 -0.85 -5.02 118.95 118.40 4otb s ARG 39 Ca 0.54 -0.22 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 4otb s ARG 39 Cb -0.37 -1.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.74 4otb s ARG 39 CO 0.41 -0.18 -0.20 0.08 -0.68 0.00 0.00 175.30 174.73 4otb s VAL 40 N 1.40 2.57 -0.12 3.52 1.01 -1.26 -0.97 120.40 126.56 4otb s VAL 40 Ca -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.00 4otb s VAL 40 Cb -0.13 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.29 4otb s VAL 40 CO -0.04 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 4otb s ILE 41 N -0.71 1.32 -0.17 2.22 1.01 0.15 -4.98 121.20 120.04 4otb s ILE 41 Ca 0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 4otb s ILE 41 Cb -0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 4otb s ILE 41 CO 0.01 0.41 0.13 -0.63 0.00 0.00 0.00 174.94 174.86 4otb s ILE 42 N 1.36 5.44 -0.19 2.92 1.01 -1.26 -0.75 121.20 129.73 4otb s ILE 42 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 4otb s ILE 42 Cb -0.14 -3.43 0.05 0.00 0.01 0.00 0.00 42.46 38.95 4otb s ILE 42 CO -0.06 0.52 -0.06 -0.89 0.00 0.00 0.00 174.94 174.44 4otb s THR 43 N -0.22 1.29 0.18 2.92 2.01 -0.11 -4.96 115.64 116.74 4otb s THR 43 Ca 0.11 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 4otb s THR 43 Cb -0.11 -1.47 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 4otb s THR 43 CO 0.01 0.08 0.68 -1.61 -0.69 0.00 0.00 174.62 173.09 4otb s GLU 44 N 1.54 4.27 -0.06 4.92 2.02 -1.25 -1.07 118.70 129.07 4otb s GLU 44 Ca -0.01 0.85 0.03 0.00 0.02 0.00 0.00 54.97 55.87 4otb s GLU 44 Cb -0.16 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 4otb s GLU 44 CO -0.08 0.48 -0.15 -1.64 0.02 0.00 0.00 175.26 173.90 4otb s MET 45 N -1.66 2.57 0.36 1.61 -1.94 0.14 -4.87 119.30 115.51 4otb s MET 45 Ca 0.38 -0.70 -0.26 0.00 -1.71 0.00 0.00 55.69 53.40 4otb s MET 45 Cb -0.18 -2.39 -0.09 0.00 2.01 0.00 0.00 34.83 34.18 4otb s MET 45 CO 0.21 0.58 1.08 0.00 -0.01 0.00 0.00 175.02 176.88 4otb s ALA 46 N -0.62 3.18 0.62 3.03 0.00 -1.26 -0.57 121.76 126.13 4otb s ALA 46 Ca 0.09 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.10 4otb s ALA 46 Cb -0.11 -3.30 1.26 0.00 0.00 0.00 0.00 23.12 20.97 4otb s ALA 46 CO 0.01 -0.24 1.69 0.87 0.00 0.00 0.00 175.76 178.09 4otb h LYS 47 N 2.89 0.00 -0.64 0.00 1.79 -1.96 0.74 116.57 119.40 4otb h LYS 47 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 4otb h LYS 47 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 4otb h LYS 47 CO 0.64 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.42 4otb n GLY 48 N -1.49 1.98 0.27 3.86 0.00 -1.26 -2.27 105.19 106.28 4otb n GLY 48 Ca 0.09 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 0.17 -4.08 1.61 8.25 0.26 -4.96 115.22 117.83 4otb n HIS 49 Ca 0.21 -0.39 -0.28 0.00 -0.26 0.00 0.00 57.72 57.00 4otb n HIS 49 Cb 0.54 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.87 1.87 -0.05 4.41 5.36 -1.22 -4.86 117.98 122.61 4otb s PHE 50 Ca 0.10 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 4otb s PHE 50 Cb 0.05 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.28 4otb s PHE 50 CO 0.07 -0.57 -0.04 0.20 -1.46 0.00 0.00 175.22 173.43 4otb s GLY 51 N 1.44 1.77 -0.18 13.12 0.00 -1.26 0.69 107.32 122.90 4otb s GLY 51 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 4otb s GLY 51 CO -0.08 -0.70 0.02 -0.42 0.00 0.00 0.00 173.10 171.92 4otb s ILE 52 N -0.90 0.62 -0.35 0.90 1.01 0.34 -4.75 121.20 118.06 4otb s ILE 52 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.28 4otb s ILE 52 Cb -0.11 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.32 4otb s ILE 52 CO 0.04 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.48 4otb n GLY 53 N 5.02 0.55 0.00 6.18 0.00 -1.26 -2.36 105.19 113.33 4otb n GLY 53 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.26 2.39 3.91 -0.02 0.00 -1.26 -5.06 105.19 103.88 4otb n GLY 54 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.58 0.51 1.61 0.41 -0.99 -5.03 118.70 117.92 4otb s GLU 55 Ca 0.00 -0.17 -0.20 0.00 -0.41 0.00 0.00 54.97 54.19 4otb s GLU 55 Cb 0.00 -2.85 -0.07 0.00 -1.78 0.00 0.00 34.13 29.42 4otb s GLU 55 CO 0.00 0.46 1.10 -0.51 -0.49 0.00 0.00 175.26 175.82 4otb s LEU 56 N -2.81 3.83 0.38 1.80 1.02 -1.26 -0.50 118.68 121.15 4otb s LEU 56 Ca 0.40 2.11 0.05 0.00 0.02 0.00 0.00 54.13 56.71 4otb s LEU 56 Cb -0.12 -4.51 0.77 0.00 0.02 0.00 0.00 46.19 42.35 4otb s LEU 56 CO 0.26 -1.01 2.03 0.00 0.02 0.00 0.00 176.35 177.65 4otb h ALA 57 N 1.49 1.63 -0.14 4.21 0.00 0.31 -2.65 119.26 124.11 4otb h ALA 57 Ca -0.50 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 4otb h ALA 57 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 4otb h ALA 57 CO 0.58 0.33 -0.19 0.66 0.00 0.00 0.00 179.25 180.63 4otb h SER 58 N 0.66 0.23 -0.01 0.00 4.64 -1.72 -3.50 113.55 113.85 4otb h SER 58 Ca 0.17 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 4otb h SER 58 Cb -0.05 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 4otb h SER 58 CO -0.04 0.44 0.00 2.29 -0.87 0.00 0.00 176.83 178.65