#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 0.39 -0.13 4.25 1.01 -1.26 -2.06 121.20 123.40 4otb s ILE 2 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 4otb s ILE 2 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 4otb s ILE 2 CO 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 174.94 174.87 4otb s ALA 3 N 1.94 3.16 -0.25 9.38 0.00 -0.41 -5.01 121.76 130.57 4otb s ALA 3 Ca 0.01 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.19 4otb s ALA 3 Cb -0.15 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.45 4otb s ALA 3 CO -0.07 0.35 -0.12 -1.14 0.00 0.00 0.00 175.76 174.78 4otb s GLN 4 N -0.11 2.35 -0.16 0.00 0.74 -1.26 -0.74 119.66 120.47 4otb s GLN 4 Ca 0.04 -1.26 -0.07 0.00 0.05 0.00 0.00 55.36 54.12 4otb s GLN 4 Cb -0.13 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 4otb s GLN 4 CO 0.02 -0.51 0.08 0.42 -0.55 0.00 0.00 175.29 174.75 4otb s ILE 5 N 1.14 4.93 -0.32 -2.34 1.01 0.02 -4.99 121.20 120.65 4otb s ILE 5 Ca -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 4otb s ILE 5 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.09 4otb s ILE 5 CO -0.06 0.50 0.15 -1.00 0.00 0.00 0.00 174.94 174.53 4otb s HIS 6 N -0.02 3.18 0.15 3.97 3.76 -1.26 -0.71 115.29 124.36 4otb s HIS 6 Ca 0.07 -0.70 0.08 0.00 -0.15 0.00 0.00 55.06 54.36 4otb s HIS 6 Cb -0.12 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 4otb s HIS 6 CO 0.01 -0.50 -0.17 0.96 -0.85 0.00 0.00 174.74 174.18 4otb s ILE 7 N 1.58 1.66 0.34 0.60 -4.36 -0.13 -4.98 121.20 115.91 4otb s ILE 7 Ca 0.04 -1.83 -0.27 0.00 -0.26 0.00 0.00 60.65 58.33 4otb s ILE 7 Cb -0.17 -1.73 -0.09 0.00 1.25 0.00 0.00 42.46 41.72 4otb s ILE 7 CO 0.06 -0.33 1.10 -0.76 0.24 0.00 0.00 174.94 175.25 4otb s LEU 8 N -2.55 4.36 0.59 0.37 1.43 -1.26 0.33 118.68 121.96 4otb s LEU 8 Ca 0.13 2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 55.26 4otb s LEU 8 Cb -0.06 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 4otb s LEU 8 CO 0.05 -0.35 1.20 -1.84 0.23 0.00 0.00 176.35 175.64 4otb n GLU 9 N 0.60 1.24 0.00 1.70 0.28 0.20 -4.42 120.64 120.24 4otb n GLU 9 Ca 0.02 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 4otb n GLU 9 Cb 0.46 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 30.92 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 0.99 1.23 3.87 -1.84 0.00 -1.26 -4.90 105.19 103.29 4otb n GLY 10 Ca 0.13 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 3.16 0.64 1.61 1.81 -1.26 -5.07 118.95 119.83 4otb s ARG 11 Ca 0.00 0.60 -0.05 0.00 -1.72 0.00 0.00 55.73 54.56 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 -0.85 0.94 -1.54 -0.68 0.00 0.00 175.30 173.16 4otb s SER 12 N -4.25 5.21 0.26 0.23 1.04 -1.26 -4.93 113.70 109.98 4otb s SER 12 Ca 0.57 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.48 4otb s SER 12 Cb -0.11 -1.34 0.32 0.00 0.10 0.00 0.00 66.02 64.98 4otb s SER 12 CO 0.53 -1.31 1.78 0.44 0.98 0.00 0.00 173.24 175.66 4otb h ASP 13 N -0.33 0.84 -0.30 7.02 5.19 -1.99 -2.09 116.42 124.75 4otb h ASP 13 Ca -0.45 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 55.69 4otb h ASP 13 Cb 1.29 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 4otb h ASP 13 CO 0.60 0.84 -0.18 -0.33 -3.12 0.00 0.00 179.24 177.05 4otb h GLU 14 N 0.84 0.76 -0.69 3.56 3.07 -1.98 -0.89 114.58 119.25 4otb h GLU 14 Ca 0.18 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 4otb h GLU 14 Cb 0.36 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 4otb h GLU 14 CO 0.01 0.89 0.15 1.96 -1.40 0.00 0.00 179.01 180.61 4otb h GLN 15 N 0.67 1.11 0.00 2.33 4.20 -1.83 -1.19 115.11 120.40 4otb h GLN 15 Ca 0.10 -0.28 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 4otb h GLN 15 Cb 0.68 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 4otb h GLN 15 CO 0.05 0.99 -0.61 0.87 -0.67 0.00 0.00 178.83 179.46 4otb h LYS 16 N 1.05 0.00 -0.09 1.46 1.57 -1.25 -1.85 116.57 117.46 4otb h LYS 16 Ca 0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 4otb h LYS 16 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 4otb h LYS 16 CO 0.01 0.61 -0.66 1.49 -0.57 0.00 0.00 179.45 180.33 4otb h GLU 17 N 0.00 0.37 -0.14 3.15 4.81 -0.92 -1.80 114.58 120.05 4otb h GLU 17 Ca -0.01 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 4otb h GLU 17 Cb 1.42 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 4otb h GLU 17 CO 0.08 0.90 -0.21 1.15 -0.73 0.00 0.00 179.01 180.19 4otb h THR 18 N 0.26 1.36 -0.51 0.32 2.02 -1.16 -2.55 112.91 112.66 4otb h THR 18 Ca -0.02 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 65.78 4otb h THR 18 Cb 1.20 1.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.54 4otb h THR 18 CO 0.11 0.43 0.21 0.25 0.37 0.00 0.00 175.52 176.89 4otb h LEU 19 N -0.01 0.26 -1.30 2.58 5.85 -1.26 0.17 115.31 121.60 4otb h LEU 19 Ca 0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 4otb h LEU 19 Cb 0.78 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 4otb h LEU 19 CO 0.05 0.18 0.09 0.40 -0.34 0.00 0.00 178.44 178.82 4otb h ILE 20 N 0.42 1.18 0.00 4.05 2.04 -1.31 -1.27 117.51 122.62 4otb h ILE 20 Ca 0.24 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 4otb h ILE 20 Cb 0.22 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 4otb h ILE 20 CO -0.22 0.23 -0.08 -0.09 0.00 0.00 0.00 178.15 178.00 4otb h ARG 21 N 0.56 0.05 0.43 2.37 2.43 -0.85 -2.85 114.38 116.53 4otb h ARG 21 Ca 0.13 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 4otb h ARG 21 Cb 0.22 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 4otb h ARG 21 CO -0.00 0.84 -0.33 0.93 -1.51 0.00 0.00 179.97 179.89 4otb h GLU 22 N -0.71 -0.73 -0.60 0.20 4.39 -0.62 -1.86 114.58 114.64 4otb h GLU 22 Ca -0.01 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.77 4otb h GLU 22 Cb 0.86 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 4otb h GLU 22 CO 0.01 -0.49 0.40 0.28 -1.16 0.00 0.00 179.01 178.06 4otb h VAL 23 N -0.76 1.09 -0.49 3.13 2.07 -1.39 -1.34 116.25 118.58 4otb h VAL 23 Ca -0.04 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 4otb h VAL 23 Cb 0.65 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 4otb h VAL 23 CO 0.00 0.13 0.01 0.28 0.02 0.00 0.00 177.57 178.01 4otb h SER 24 N 0.73 0.77 -0.06 0.57 0.02 -1.22 -2.08 113.55 112.28 4otb h SER 24 Ca 0.24 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 4otb h SER 24 Cb 0.05 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.39 4otb h SER 24 CO -0.06 0.83 -0.69 -0.33 -1.14 0.00 0.00 176.83 175.43 4otb h GLU 25 N 0.75 0.58 -1.00 3.45 5.08 -0.73 -2.47 114.58 120.24 4otb h GLU 25 Ca 0.15 -0.54 0.12 0.00 -1.00 0.00 0.00 59.36 58.08 4otb h GLU 25 Cb 0.45 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 4otb h GLU 25 CO 0.02 1.16 0.63 0.00 -1.00 0.00 0.00 179.01 179.82 4otb h ALA 26 N 0.43 1.51 -0.12 3.43 0.00 -1.08 0.89 119.26 124.30 4otb h ALA 26 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 4otb h ALA 26 Cb 1.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.93 4otb h ALA 26 CO 0.14 0.24 -0.29 0.82 0.00 0.00 0.00 179.25 180.16 4otb h ILE 27 N 1.01 1.38 0.01 0.00 2.04 -1.40 -1.81 117.51 118.74 4otb h ILE 27 Ca 0.49 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.79 4otb h ILE 27 Cb 0.47 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 4otb h ILE 27 CO -0.26 0.47 -0.15 -1.28 0.00 0.00 0.00 178.15 176.93 4otb h SER 28 N -0.00 -0.44 0.54 1.72 0.87 -0.79 -1.71 113.55 113.74 4otb h SER 28 Ca -0.00 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 4otb h SER 28 Cb 0.90 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 4otb h SER 28 CO 0.06 -0.21 -0.70 0.08 -0.53 0.00 0.00 176.83 175.54 4otb h ARG 29 N -0.26 0.13 -0.23 2.24 0.11 -0.95 0.13 114.38 115.55 4otb h ARG 29 Ca 0.05 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 59.92 4otb h ARG 29 Cb 0.32 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 4otb h ARG 29 CO -0.14 0.77 -0.29 0.77 0.10 0.00 0.00 179.97 181.18 4otb h SER 30 N 0.09 0.47 -0.10 0.08 0.02 -1.13 -3.17 113.55 109.81 4otb h SER 30 Ca -0.01 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 4otb h SER 30 Cb 1.23 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.65 4otb h SER 30 CO 0.10 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.72 4otb n LEU 31 N -4.10 2.24 -3.24 5.07 4.77 -0.66 -4.97 117.00 116.12 4otb n LEU 31 Ca -0.01 -1.23 -0.23 0.00 -0.03 0.00 0.00 56.01 54.51 4otb n LEU 31 Cb 0.43 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 4otb n LEU 31 CO 0.42 0.46 0.02 -0.67 -1.33 0.00 0.00 177.39 176.29 4otb n ASP 32 N 0.66 -5.32 -4.88 -1.43 -0.08 0.34 -4.97 116.55 100.87 4otb n ASP 32 Ca 0.08 -0.37 -0.33 0.00 -1.51 0.00 0.00 54.79 52.66 4otb n ASP 32 Cb 0.34 -4.31 -0.05 0.00 2.34 0.00 0.00 41.12 39.44 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 -3.12 3.89 0.16 -1.67 0.00 -0.45 -5.02 121.76 115.55 4otb s ALA 33 Ca 0.38 -0.80 -0.32 0.00 0.00 0.00 0.00 51.96 51.22 4otb s ALA 33 Cb -0.18 -1.81 -0.11 0.00 0.00 0.00 0.00 23.12 21.02 4otb s ALA 33 CO 0.47 0.75 1.72 -1.25 0.00 0.00 0.00 175.76 177.45 4otb s PRO 34 N -2.03 4.15 0.34 0.00 0.04 -1.26 -4.60 135.00 131.65 4otb s PRO 34 Ca 0.28 2.53 0.11 0.00 0.04 0.00 0.00 61.00 63.96 4otb s PRO 34 Cb -0.13 -3.28 0.89 0.00 0.04 0.00 0.00 34.50 32.03 4otb s PRO 34 CO 0.20 -0.75 1.77 1.25 0.04 0.00 0.00 177.00 179.51 4otb h LEU 35 N 7.45 0.65 -2.01 -3.56 5.85 -1.92 0.59 115.31 122.36 4otb h LEU 35 Ca -0.44 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.38 4otb h LEU 35 Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 4otb h LEU 35 CO 0.94 0.18 0.03 0.71 -0.34 0.00 0.00 178.44 179.96 4otb h THR 36 N 0.60 0.00 0.00 1.05 1.35 -1.98 -1.22 112.91 112.71 4otb h THR 36 Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.45 4otb h THR 36 Cb 1.15 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 4otb h THR 36 CO -0.37 0.00 -1.01 -1.54 -0.25 0.00 0.00 175.52 172.35 4otb n SER 37 N -2.58 0.66 -4.73 5.36 3.41 0.20 -4.92 113.62 111.02 4otb n SER 37 Ca -0.02 0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 4otb n SER 37 Cb 0.08 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -3.27 3.48 -0.11 -3.33 1.01 -0.46 -3.96 120.40 113.75 4otb s VAL 38 Ca 0.02 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.21 4otb s VAL 38 Cb 0.12 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.75 4otb s VAL 38 CO 0.79 0.18 -0.09 -0.13 0.00 0.00 0.00 175.10 175.85 4otb s ARG 39 N -0.06 1.59 0.01 2.72 1.81 -0.87 -5.02 118.95 119.13 4otb s ARG 39 Ca 0.55 -0.30 0.06 0.00 -1.72 0.00 0.00 55.73 54.32 4otb s ARG 39 Cb -0.34 -1.57 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 4otb s ARG 39 CO 0.36 -0.21 -0.16 0.08 -0.68 0.00 0.00 175.30 174.69 4otb s VAL 40 N 1.50 2.91 -0.08 3.52 1.01 -1.26 -1.29 120.40 126.71 4otb s VAL 40 Ca 0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 4otb s VAL 40 Cb -0.13 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.08 4otb s VAL 40 CO -0.06 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.78 4otb s ILE 41 N -0.86 0.79 -0.16 2.22 1.01 0.08 -4.98 121.20 119.30 4otb s ILE 41 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 4otb s ILE 41 Cb -0.11 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 4otb s ILE 41 CO 0.04 0.31 0.10 -0.63 0.00 0.00 0.00 174.94 174.76 4otb s ILE 42 N 1.52 5.15 -0.16 2.92 1.01 -1.26 -0.80 121.20 129.58 4otb s ILE 42 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 4otb s ILE 42 Cb -0.13 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.08 4otb s ILE 42 CO -0.05 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 4otb s THR 43 N -0.23 1.40 0.15 2.92 2.01 0.11 -4.96 115.64 117.03 4otb s THR 43 Ca 0.10 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 4otb s THR 43 Cb -0.12 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 4otb s THR 43 CO 0.01 0.28 0.63 -1.61 -0.69 0.00 0.00 174.62 173.23 4otb s GLU 44 N 1.53 4.19 -0.07 4.92 2.02 -1.26 -0.96 118.70 129.07 4otb s GLU 44 Ca 0.02 0.74 0.03 0.00 0.02 0.00 0.00 54.97 55.78 4otb s GLU 44 Cb -0.14 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 4otb s GLU 44 CO -0.09 0.52 -0.15 -1.64 0.02 0.00 0.00 175.26 173.92 4otb s MET 45 N -1.61 2.77 0.40 1.61 -1.94 0.15 -4.86 119.30 115.82 4otb s MET 45 Ca 0.36 -0.71 -0.25 0.00 -1.71 0.00 0.00 55.69 53.38 4otb s MET 45 Cb -0.18 -2.44 -0.08 0.00 2.01 0.00 0.00 34.83 34.14 4otb s MET 45 CO 0.20 0.49 1.17 0.00 -0.01 0.00 0.00 175.02 176.87 4otb s ALA 46 N -0.37 3.16 0.63 3.03 0.00 -1.26 -0.63 121.76 126.31 4otb s ALA 46 Ca 0.04 0.96 0.26 0.00 0.00 0.00 0.00 51.96 53.23 4otb s ALA 46 Cb -0.12 -3.38 1.36 0.00 0.00 0.00 0.00 23.12 20.98 4otb s ALA 46 CO 0.02 -0.52 1.78 0.87 0.00 0.00 0.00 175.76 177.91 4otb h LYS 47 N 2.65 0.00 -0.67 0.00 1.79 -1.96 0.55 116.57 118.93 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 0.63 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.41 4otb n GLY 48 N -1.41 2.39 0.15 3.86 0.00 -1.26 -2.08 105.19 106.84 4otb n GLY 48 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 1.27 0.11 -3.96 1.61 8.25 0.19 -4.97 115.22 117.72 4otb n HIS 49 Ca 0.24 -0.48 -0.29 0.00 -0.26 0.00 0.00 57.72 56.93 4otb n HIS 49 Cb 0.72 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.98 1.90 -0.07 4.41 5.36 -1.23 -4.86 117.98 122.52 4otb s PHE 50 Ca 0.06 -1.07 -0.00 0.00 -0.96 0.00 0.00 56.93 54.95 4otb s PHE 50 Cb 0.03 -1.44 -0.03 0.00 -0.34 0.00 0.00 43.02 41.23 4otb s PHE 50 CO 0.04 -0.62 -0.04 0.20 -1.46 0.00 0.00 175.22 173.34 4otb s GLY 51 N 1.57 1.77 -0.19 13.12 0.00 -1.26 0.61 107.32 122.93 4otb s GLY 51 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 4otb s GLY 51 CO -0.09 -0.64 -0.01 -0.42 0.00 0.00 0.00 173.10 171.94 4otb s ILE 52 N -0.86 0.89 -0.56 0.90 1.01 0.39 -4.73 121.20 118.25 4otb s ILE 52 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.06 4otb s ILE 52 Cb -0.11 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.10 4otb s ILE 52 CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.48 4otb n GLY 53 N 4.92 0.72 0.00 6.18 0.00 -1.26 -2.35 105.19 113.40 4otb n GLY 53 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 3.27 3.91 -0.02 0.00 -1.26 -5.06 105.19 104.76 4otb n GLY 54 Ca -0.05 0.00 -0.29 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 -0.81 3.62 0.50 1.61 0.41 -0.99 -5.02 118.70 118.02 4otb s GLU 55 Ca 0.00 -0.05 -0.20 0.00 -0.41 0.00 0.00 54.97 54.30 4otb s GLU 55 Cb 0.00 -2.69 -0.08 0.00 -1.78 0.00 0.00 34.13 29.58 4otb s GLU 55 CO 0.00 0.26 1.07 -0.51 -0.49 0.00 0.00 175.26 175.59 4otb s LEU 56 N -3.44 3.82 0.33 1.80 1.02 -1.26 -0.46 118.68 120.49 4otb s LEU 56 Ca 0.43 2.02 0.01 0.00 0.02 0.00 0.00 54.13 56.61 4otb s LEU 56 Cb -0.11 -4.56 0.57 0.00 0.02 0.00 0.00 46.19 42.12 4otb s LEU 56 CO 0.29 -0.92 1.97 0.00 0.02 0.00 0.00 176.35 177.71 4otb h ALA 57 N 1.47 1.47 0.00 4.21 0.00 0.21 -3.45 119.26 123.17 4otb h ALA 57 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.33 4otb h ALA 57 Cb 1.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.77 4otb h ALA 57 CO 0.58 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 179.16