#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 0.40 -0.11 4.25 1.01 -1.26 -1.98 121.20 123.51 4otb s ILE 2 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 4otb s ILE 2 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 4otb s ILE 2 CO 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 174.94 174.94 4otb s ALA 3 N 1.94 3.03 -0.22 9.38 0.00 -0.30 -5.01 121.76 130.59 4otb s ALA 3 Ca 0.03 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.16 4otb s ALA 3 Cb -0.14 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.60 4otb s ALA 3 CO -0.07 0.41 -0.14 -1.14 0.00 0.00 0.00 175.76 174.82 4otb s GLN 4 N -0.27 2.62 -0.17 0.00 0.74 -1.26 -0.69 119.66 120.65 4otb s GLN 4 Ca 0.04 -1.09 -0.06 0.00 0.05 0.00 0.00 55.36 54.31 4otb s GLN 4 Cb -0.13 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 4otb s GLN 4 CO 0.02 -0.40 0.02 0.42 -0.55 0.00 0.00 175.29 174.81 4otb s ILE 5 N 1.20 4.44 -0.29 -2.34 1.01 -0.13 -4.98 121.20 120.11 4otb s ILE 5 Ca -0.02 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 4otb s ILE 5 Cb -0.17 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 4otb s ILE 5 CO -0.08 0.48 0.15 -1.00 0.00 0.00 0.00 174.94 174.49 4otb s HIS 6 N 0.29 3.17 0.10 3.97 3.76 -1.26 -0.90 115.29 124.42 4otb s HIS 6 Ca 0.01 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.67 4otb s HIS 6 Cb -0.13 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 4otb s HIS 6 CO 0.01 -0.34 -0.14 0.96 -0.85 0.00 0.00 174.74 174.37 4otb s ILE 7 N 1.67 1.25 0.38 0.60 -4.36 -0.25 -4.98 121.20 115.50 4otb s ILE 7 Ca 0.06 -1.54 -0.26 0.00 -0.26 0.00 0.00 60.65 58.65 4otb s ILE 7 Cb -0.16 -1.34 -0.09 0.00 1.25 0.00 0.00 42.46 42.12 4otb s ILE 7 CO 0.07 -0.32 1.16 -0.76 0.24 0.00 0.00 174.94 175.34 4otb s LEU 8 N -2.13 4.26 0.60 0.37 1.43 -1.26 0.25 118.68 122.21 4otb s LEU 8 Ca 0.04 2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 55.29 4otb s LEU 8 Cb -0.07 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 4otb s LEU 8 CO 0.03 -0.57 1.25 -1.84 0.23 0.00 0.00 176.35 175.44 4otb n GLU 9 N 0.29 1.26 0.00 1.70 0.28 0.25 -4.44 120.64 119.98 4otb n GLU 9 Ca 0.03 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 4otb n GLU 9 Cb 0.46 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 0.95 1.19 3.88 -1.84 0.00 -1.26 -4.89 105.19 103.21 4otb n GLY 10 Ca 0.14 0.00 -0.31 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 3.42 0.66 1.61 1.81 -1.26 -5.07 118.95 120.12 4otb s ARG 11 Ca 0.00 0.65 -0.06 0.00 -1.72 0.00 0.00 55.73 54.60 4otb s ARG 11 Cb 0.00 -2.08 0.04 0.00 -0.45 0.00 0.00 34.95 32.46 4otb s ARG 11 CO 0.00 -0.67 0.97 -1.54 -0.68 0.00 0.00 175.30 173.39 4otb s SER 12 N -4.22 5.11 0.21 0.23 1.04 -1.26 -4.92 113.70 109.89 4otb s SER 12 Ca 0.55 0.56 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 4otb s SER 12 Cb -0.11 -1.33 0.16 0.00 0.10 0.00 0.00 66.02 64.83 4otb s SER 12 CO 0.53 -1.40 1.78 0.44 0.98 0.00 0.00 173.24 175.57 4otb h ASP 13 N -0.45 1.10 -0.48 7.02 5.19 -1.99 -1.74 116.42 125.07 4otb h ASP 13 Ca -0.45 -0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 55.73 4otb h ASP 13 Cb 1.29 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 4otb h ASP 13 CO 0.60 0.97 0.08 -0.33 -3.12 0.00 0.00 179.24 177.45 4otb h GLU 14 N 1.16 0.86 -0.57 3.56 3.07 -1.98 0.70 114.58 121.38 4otb h GLU 14 Ca 0.27 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 4otb h GLU 14 Cb 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 4otb h GLU 14 CO -0.02 0.81 -0.00 1.96 -1.40 0.00 0.00 179.01 180.35 4otb h GLN 15 N 0.82 0.98 0.00 2.33 4.20 -1.83 -0.95 115.11 120.66 4otb h GLN 15 Ca 0.17 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 4otb h GLN 15 Cb 0.37 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 4otb h GLN 15 CO 0.01 0.97 -0.74 0.87 -0.67 0.00 0.00 178.83 179.26 4otb h LYS 16 N 0.90 0.00 -0.16 1.46 1.57 -0.93 -1.90 116.57 117.51 4otb h LYS 16 Ca 0.16 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 4otb h LYS 16 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 4otb h LYS 16 CO 0.03 0.74 -0.53 1.49 -0.57 0.00 0.00 179.45 180.61 4otb h GLU 17 N 0.00 0.45 -0.16 3.15 4.81 -0.61 -1.79 114.58 120.43 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 1.50 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 4otb h GLU 17 CO 0.10 0.87 -0.17 1.15 -0.73 0.00 0.00 179.01 180.22 4otb h THR 18 N 0.35 1.34 -0.42 0.32 2.02 -1.10 -2.64 112.91 112.79 4otb h THR 18 Ca 0.01 -1.34 0.06 0.00 0.77 0.00 0.00 66.41 65.90 4otb h THR 18 Cb 1.04 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.26 4otb h THR 18 CO 0.09 0.40 0.13 0.25 0.37 0.00 0.00 175.52 176.76 4otb h LEU 19 N 0.04 0.11 -1.27 2.58 5.85 -1.25 0.16 115.31 121.53 4otb h LEU 19 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 4otb h LEU 19 Cb 0.71 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 4otb h LEU 19 CO 0.04 0.10 0.45 0.40 -0.34 0.00 0.00 178.44 179.09 4otb h ILE 20 N 0.28 1.19 0.02 4.05 2.04 -1.30 -1.17 117.51 122.62 4otb h ILE 20 Ca 0.20 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 4otb h ILE 20 Cb 0.20 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 4otb h ILE 20 CO -0.22 0.19 -0.01 -0.09 0.00 0.00 0.00 178.15 178.02 4otb h ARG 21 N 0.97 -0.03 0.33 2.37 2.43 -0.93 -2.75 114.38 116.78 4otb h ARG 21 Ca 0.26 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 4otb h ARG 21 Cb -0.08 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 4otb h ARG 21 CO -0.05 0.61 -0.30 0.93 -1.51 0.00 0.00 179.97 179.64 4otb h GLU 22 N -0.70 -0.63 -0.61 0.20 4.39 -0.62 -1.85 114.58 114.75 4otb h GLU 22 Ca -0.00 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.76 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 -0.42 0.40 0.28 -1.16 0.00 0.00 179.01 178.12 4otb h VAL 23 N -0.66 1.11 -0.47 3.13 2.07 -1.36 -1.35 116.25 118.72 4otb h VAL 23 Ca -0.02 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 4otb h VAL 23 Cb 0.59 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 4otb h VAL 23 CO -0.04 0.14 -0.06 0.28 0.02 0.00 0.00 177.57 177.91 4otb h SER 24 N 0.76 0.80 -0.10 0.57 0.02 -1.16 -1.99 113.55 112.45 4otb h SER 24 Ca 0.24 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 4otb h SER 24 Cb 0.02 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.36 4otb h SER 24 CO -0.06 0.90 -0.80 -0.33 -1.14 0.00 0.00 176.83 175.40 4otb h GLU 25 N 0.75 0.72 -0.93 3.45 5.08 -0.72 -2.46 114.58 120.47 4otb h GLU 25 Ca 0.13 -0.64 0.08 0.00 -1.00 0.00 0.00 59.36 57.93 4otb h GLU 25 Cb 0.54 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 4otb h GLU 25 CO 0.03 1.24 0.58 0.00 -1.00 0.00 0.00 179.01 179.86 4otb h ALA 26 N 0.49 1.32 -0.14 3.43 0.00 -1.13 0.19 119.26 123.42 4otb h ALA 26 Ca -0.07 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 4otb h ALA 26 Cb 1.44 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 4otb h ALA 26 CO 0.16 0.30 -0.21 0.82 0.00 0.00 0.00 179.25 180.32 4otb h ILE 27 N 1.02 1.36 -0.16 0.00 2.04 -1.39 -1.69 117.51 118.70 4otb h ILE 27 Ca 0.42 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.88 4otb h ILE 27 Cb 0.26 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 4otb h ILE 27 CO -0.20 0.42 -0.11 -1.28 0.00 0.00 0.00 178.15 176.98 4otb h SER 28 N -0.02 -0.35 0.60 1.72 0.87 -0.88 -1.58 113.55 113.92 4otb h SER 28 Ca 0.01 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 4otb h SER 28 Cb 0.78 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 4otb h SER 28 CO 0.05 -0.14 -0.82 0.08 -0.53 0.00 0.00 176.83 175.46 4otb h ARG 29 N -0.11 0.16 -0.10 2.24 0.11 -1.06 0.92 114.38 116.53 4otb h ARG 29 Ca 0.10 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 4otb h ARG 29 Cb 0.25 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 4otb h ARG 29 CO -0.23 0.89 -0.35 0.77 0.10 0.00 0.00 179.97 181.16 4otb h SER 30 N 0.09 0.20 -0.06 0.08 0.02 -1.09 -3.15 113.55 109.65 4otb h SER 30 Ca -0.03 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 4otb h SER 30 Cb 1.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.91 4otb h SER 30 CO 0.12 0.54 0.00 0.18 -1.14 0.00 0.00 176.83 176.53 4otb n LEU 31 N -4.09 2.01 -3.30 5.07 4.77 -0.61 -4.98 117.00 115.88 4otb n LEU 31 Ca -0.01 -1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 54.57 4otb n LEU 31 Cb 0.42 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 4otb n LEU 31 CO 0.40 0.41 0.03 -0.67 -1.33 0.00 0.00 177.39 176.24 4otb n ASP 32 N 0.55 -5.34 -4.89 -1.43 -0.08 0.18 -4.97 116.55 100.57 4otb n ASP 32 Ca 0.07 -0.41 -0.32 0.00 -1.51 0.00 0.00 54.79 52.62 4otb n ASP 32 Cb 0.28 -4.32 -0.05 0.00 2.34 0.00 0.00 41.12 39.38 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 -3.14 3.92 0.13 -1.67 0.00 -0.40 -5.02 121.76 115.58 4otb s ALA 33 Ca 0.41 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 4otb s ALA 33 Cb -0.20 -1.81 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 4otb s ALA 33 CO 0.51 0.78 1.64 -1.25 0.00 0.00 0.00 175.76 177.43 4otb s PRO 34 N -2.17 4.19 0.32 0.00 0.04 -1.26 -4.62 135.00 131.50 4otb s PRO 34 Ca 0.30 2.40 0.10 0.00 0.04 0.00 0.00 61.00 63.84 4otb s PRO 34 Cb -0.13 -3.34 0.90 0.00 0.04 0.00 0.00 34.50 31.97 4otb s PRO 34 CO 0.22 -0.69 1.73 1.25 0.04 0.00 0.00 177.00 179.55 4otb h LEU 35 N 7.57 0.67 -2.41 -3.56 5.85 -1.92 0.79 115.31 122.29 4otb h LEU 35 Ca -0.43 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.43 4otb h LEU 35 Cb 1.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 4otb h LEU 35 CO 0.93 0.10 0.07 0.71 -0.34 0.00 0.00 178.44 179.90 4otb h THR 36 N 0.57 0.00 0.00 1.05 1.35 -1.98 -0.86 112.91 113.04 4otb h THR 36 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.51 4otb h THR 36 Cb 1.24 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 4otb h THR 36 CO -0.47 0.00 -0.93 -1.54 -0.25 0.00 0.00 175.52 172.33 4otb n SER 37 N -2.83 0.78 -4.74 5.36 3.41 0.27 -4.91 113.62 110.96 4otb n SER 37 Ca -0.02 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.39 4otb n SER 37 Cb 0.12 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 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 3.42 -0.10 -3.33 1.01 -0.33 -3.97 120.40 113.80 4otb s VAL 38 Ca 0.01 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.21 4otb s VAL 38 Cb 0.11 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.74 4otb s VAL 38 CO 0.78 0.20 -0.11 -0.13 0.00 0.00 0.00 175.10 175.83 4otb s ARG 39 N -0.36 1.80 0.03 2.72 1.81 -0.84 -5.01 118.95 119.09 4otb s ARG 39 Ca 0.53 -0.40 0.08 0.00 -1.72 0.00 0.00 55.73 54.22 4otb s ARG 39 Cb -0.34 -1.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 4otb s ARG 39 CO 0.38 -0.12 -0.21 0.08 -0.68 0.00 0.00 175.30 174.74 4otb s VAL 40 N 1.19 2.51 -0.07 3.52 1.01 -1.26 -1.14 120.40 126.16 4otb s VAL 40 Ca -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.74 4otb s VAL 40 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.25 4otb s VAL 40 CO -0.03 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 4otb s ILE 41 N -0.83 0.78 -0.14 2.22 1.01 0.14 -4.97 121.20 119.40 4otb s ILE 41 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 4otb s ILE 41 Cb -0.10 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 4otb s ILE 41 CO 0.03 0.30 0.06 -0.63 0.00 0.00 0.00 174.94 174.71 4otb s ILE 42 N 1.28 4.83 -0.17 2.92 1.01 -1.26 -0.95 121.20 128.85 4otb s ILE 42 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.57 4otb s ILE 42 Cb -0.14 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.25 4otb s ILE 42 CO -0.02 0.54 -0.08 -0.89 0.00 0.00 0.00 174.94 174.48 4otb s THR 43 N -0.30 1.37 0.25 2.92 2.01 -0.08 -4.95 115.64 116.85 4otb s THR 43 Ca 0.09 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 4otb s THR 43 Cb -0.12 -1.46 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 4otb s THR 43 CO 0.02 0.20 0.69 -1.61 -0.69 0.00 0.00 174.62 173.22 4otb s GLU 44 N 1.53 4.07 -0.05 4.92 2.02 -1.25 -1.10 118.70 128.84 4otb s GLU 44 Ca 0.01 0.68 0.06 0.00 0.02 0.00 0.00 54.97 55.74 4otb s GLU 44 Cb -0.15 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 4otb s GLU 44 CO -0.08 0.31 -0.23 -1.64 0.02 0.00 0.00 175.26 173.64 4otb s MET 45 N -2.44 2.51 0.34 1.61 -1.94 0.14 -4.87 119.30 114.64 4otb s MET 45 Ca 0.47 -0.86 -0.28 0.00 -1.71 0.00 0.00 55.69 53.31 4otb s MET 45 Cb -0.13 -2.20 -0.09 0.00 2.01 0.00 0.00 34.83 34.41 4otb s MET 45 CO 0.19 0.45 1.16 0.00 -0.01 0.00 0.00 175.02 176.81 4otb s ALA 46 N -0.31 3.33 0.61 3.03 0.00 -1.26 -0.58 121.76 126.58 4otb s ALA 46 Ca 0.01 0.98 0.26 0.00 0.00 0.00 0.00 51.96 53.22 4otb s ALA 46 Cb -0.13 -3.37 1.21 0.00 0.00 0.00 0.00 23.12 20.83 4otb s ALA 46 CO 0.02 -0.38 1.65 0.87 0.00 0.00 0.00 175.76 177.92 4otb h LYS 47 N 3.27 0.00 -0.46 0.00 1.79 -1.96 0.80 116.57 120.00 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 0.65 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 4otb n GLY 48 N -1.52 1.50 0.46 3.86 0.00 -1.26 -2.16 105.19 106.07 4otb n GLY 48 Ca 0.10 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 1.15 0.34 -3.94 1.61 8.25 0.28 -4.95 115.22 117.96 4otb n HIS 49 Ca 0.19 -0.51 -0.28 0.00 -0.26 0.00 0.00 57.72 56.86 4otb n HIS 49 Cb 0.50 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.03 1.70 -0.08 4.41 5.36 -1.23 -4.86 117.98 122.24 4otb s PHE 50 Ca 0.17 -0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 55.22 4otb s PHE 50 Cb 0.09 -1.34 -0.03 0.00 -0.34 0.00 0.00 43.02 41.40 4otb s PHE 50 CO 0.11 -0.57 -0.03 0.20 -1.46 0.00 0.00 175.22 173.48 4otb s GLY 51 N 1.64 1.79 -0.21 13.12 0.00 -1.26 0.39 107.32 122.79 4otb s GLY 51 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 4otb s GLY 51 CO -0.09 -0.59 0.02 -0.42 0.00 0.00 0.00 173.10 172.02 4otb s ILE 52 N -0.81 0.76 -0.38 0.90 1.01 -0.05 -4.74 121.20 117.88 4otb s ILE 52 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.03 4otb s ILE 52 Cb -0.11 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.13 4otb s ILE 52 CO 0.02 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.36 4otb n GLY 53 N 4.96 0.61 0.00 6.18 0.00 -1.26 -2.47 105.19 113.20 4otb n GLY 53 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.62 2.18 3.90 -0.02 0.00 -1.26 -5.07 105.19 103.29 4otb n GLY 54 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.92 3.60 0.56 1.61 0.41 -1.03 -5.04 118.70 117.88 4otb s GLU 55 Ca 0.00 -0.12 -0.19 0.00 -0.41 0.00 0.00 54.97 54.25 4otb s GLU 55 Cb 0.00 -2.93 -0.05 0.00 -1.78 0.00 0.00 34.13 29.37 4otb s GLU 55 CO 0.00 0.53 1.17 -0.51 -0.49 0.00 0.00 175.26 175.96 4otb s LEU 56 N -2.40 3.73 0.32 1.80 1.02 -1.26 -0.88 118.68 121.01 4otb s LEU 56 Ca 0.37 2.30 -0.00 0.00 0.02 0.00 0.00 54.13 56.81 4otb s LEU 56 Cb -0.13 -4.56 0.51 0.00 0.02 0.00 0.00 46.19 42.03 4otb s LEU 56 CO 0.23 -1.38 1.97 0.00 0.02 0.00 0.00 176.35 177.19 4otb h ALA 57 N 1.13 1.43 -0.07 4.21 0.00 -0.02 -2.69 119.26 123.25 4otb h ALA 57 Ca -0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 4otb h ALA 57 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 4otb h ALA 57 CO 0.56 0.50 -0.11 0.66 0.00 0.00 0.00 179.25 180.86 4otb h SER 58 N 0.99 0.10 -0.01 0.00 4.64 -1.70 -3.50 113.55 114.07 4otb h SER 58 Ca 0.26 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 4otb h SER 58 Cb -0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 4otb h SER 58 CO -0.05 0.23 0.00 2.29 -0.87 0.00 0.00 176.83 178.43