#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4otc s ILE 2 N 0.00 0.92 -0.07 4.25 1.01 -1.26 -1.95 121.20 124.09 4otc s ILE 2 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.45 4otc s ILE 2 Cb 0.00 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 4otc s ILE 2 CO 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.13 4otc s ALA 3 N 1.65 2.58 -0.14 9.38 0.00 -0.02 -5.00 121.76 130.22 4otc s ALA 3 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.05 4otc s ALA 3 Cb -0.13 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.01 4otc s ALA 3 CO -0.07 0.45 -0.22 -1.14 0.00 0.00 0.00 175.76 174.79 4otc s GLN 4 N -0.36 2.98 -0.18 0.00 0.74 -1.26 -0.19 119.66 121.38 4otc s GLN 4 Ca 0.03 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 54.59 4otc s GLN 4 Cb -0.12 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.57 4otc s GLN 4 CO 0.02 -0.03 -0.12 0.42 -0.55 0.00 0.00 175.29 175.03 4otc s ILE 5 N 0.85 2.81 -0.31 -2.34 1.01 0.11 -4.97 121.20 118.36 4otc s ILE 5 Ca -0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 4otc s ILE 5 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 4otc s ILE 5 CO -0.03 0.49 0.34 -1.00 0.00 0.00 0.00 174.94 174.74 4otc s HIS 6 N 1.14 3.22 0.07 3.97 3.76 -1.26 -0.29 115.29 125.91 4otc s HIS 6 Ca 0.01 0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.09 4otc s HIS 6 Cb -0.14 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.92 4otc s HIS 6 CO -0.04 -0.33 -0.14 0.96 -0.85 0.00 0.00 174.74 174.34 4otc s ILE 7 N 1.99 1.11 0.41 0.60 -4.36 -0.62 -4.99 121.20 115.35 4otc s ILE 7 Ca 0.12 -1.34 -0.25 0.00 -0.26 0.00 0.00 60.65 58.92 4otc s ILE 7 Cb -0.16 -1.10 -0.08 0.00 1.25 0.00 0.00 42.46 42.36 4otc s ILE 7 CO 0.11 -0.25 1.26 -0.76 0.24 0.00 0.00 174.94 175.54 4otc s LEU 8 N -1.80 4.19 0.79 0.37 1.43 -1.26 -0.22 118.68 122.18 4otc s LEU 8 Ca -0.01 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 4otc s LEU 8 Cb -0.10 -3.97 0.07 0.00 0.03 0.00 0.00 46.19 42.23 4otc s LEU 8 CO 0.02 -0.83 1.19 -1.83 0.23 0.00 0.00 176.35 175.13 4otc s GLU 9 N -2.30 1.79 0.00 1.70 -1.05 -0.01 -4.45 118.70 114.39 4otc s GLU 9 Ca 0.58 1.68 0.00 0.00 -0.15 0.00 0.00 54.97 57.08 4otc s GLU 9 Cb -0.35 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 4otc s GLU 9 CO 0.45 -2.08 0.00 0.41 0.95 0.00 0.00 175.26 174.99 4otc n GLY 10 N 0.27 1.39 3.84 -3.83 0.00 -1.26 -4.93 105.19 100.68 4otc n GLY 10 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 4otc n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4otc s ARG 11 N 0.00 4.02 0.73 1.61 3.00 -1.26 -5.06 118.95 121.99 4otc s ARG 11 Ca 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 55.73 56.50 4otc s ARG 11 Cb 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 34.95 32.73 4otc s ARG 11 CO 0.00 -0.07 1.07 -1.54 0.00 0.00 0.00 175.30 174.76 4otc s SER 12 N -2.64 5.05 0.34 0.23 1.04 -1.26 -4.90 113.70 111.56 4otc s SER 12 Ca 0.58 1.49 0.02 0.00 0.48 0.00 0.00 55.95 58.52 4otc s SER 12 Cb -0.10 -2.32 0.61 0.00 0.10 0.00 0.00 66.02 64.31 4otc s SER 12 CO 0.23 -1.64 2.00 0.44 0.98 0.00 0.00 173.24 175.25 4otc h ASP 13 N -0.86 0.75 -0.43 7.02 5.19 -1.99 -1.90 116.42 124.20 4otc h ASP 13 Ca -0.45 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 4otc h ASP 13 Cb 1.23 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 4otc h ASP 13 CO 0.58 0.55 0.19 -0.08 -3.12 0.00 0.00 179.24 177.36 4otc h GLU 14 N 0.88 0.64 -0.62 3.56 4.81 -1.99 0.26 114.58 122.12 4otc h GLU 14 Ca 0.24 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 4otc h GLU 14 Cb -0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 4otc h GLU 14 CO -0.05 0.57 0.15 1.96 -0.73 0.00 0.00 179.01 180.91 4otc h GLN 15 N 0.56 1.00 -0.15 1.92 4.20 -1.80 -1.60 115.11 119.23 4otc h GLN 15 Ca 0.15 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 4otc h GLN 15 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 4otc h GLN 15 CO -0.02 0.91 -0.28 0.87 -0.67 0.00 0.00 178.83 179.64 4otc h LYS 16 N 0.92 0.29 -0.52 1.46 1.57 -1.10 0.21 116.57 119.39 4otc h LYS 16 Ca 0.20 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 4otc h LYS 16 Cb 0.36 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 4otc h LYS 16 CO 0.00 0.55 -0.00 0.93 -0.57 0.00 0.00 179.45 180.36 4otc h GLU 17 N 0.25 0.93 -0.15 3.15 5.08 -0.64 -1.82 114.58 121.39 4otc h GLU 17 Ca 0.04 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 4otc h GLU 17 Cb 0.63 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 4otc h GLU 17 CO 0.05 0.95 -0.02 1.15 -1.00 0.00 0.00 179.01 180.14 4otc h THR 18 N 0.80 1.27 -0.42 1.13 2.02 -1.00 -2.24 112.91 114.47 4otc h THR 18 Ca 0.15 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.50 4otc h THR 18 Cb 0.53 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.45 4otc h THR 18 CO 0.03 0.27 -0.10 0.25 0.37 0.00 0.00 175.52 176.33 4otc h LEU 19 N -0.01 -0.38 -0.94 2.58 5.85 -0.84 0.12 115.31 121.69 4otc h LEU 19 Ca 0.04 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.90 4otc h LEU 19 Cb 0.42 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 4otc h LEU 19 CO 0.01 -0.14 0.62 0.40 -0.34 0.00 0.00 178.44 178.99 4otc h ILE 20 N 0.00 1.21 0.34 4.05 2.04 -1.22 -0.62 117.51 123.32 4otc h ILE 20 Ca 0.20 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 4otc h ILE 20 Cb 0.31 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 4otc h ILE 20 CO -0.43 0.23 -0.16 -0.09 0.00 0.00 0.00 178.15 177.70 4otc h ARG 21 N 1.24 -0.44 -0.69 2.37 2.43 -0.63 -2.49 114.38 116.17 4otc h ARG 21 Ca 0.35 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 4otc h ARG 21 Cb -0.09 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 4otc h ARG 21 CO -0.09 -0.11 0.38 0.93 -1.51 0.00 0.00 179.97 179.57 4otc h GLU 22 N -0.89 0.68 -0.62 0.20 4.39 -0.71 -1.84 114.58 115.79 4otc h GLU 22 Ca -0.05 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 4otc h GLU 22 Cb 0.53 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 4otc h GLU 22 CO 0.08 0.45 0.10 0.28 -1.16 0.00 0.00 179.01 178.75 4otc h VAL 23 N 0.70 1.26 -0.65 3.13 2.07 -1.19 -0.76 116.25 120.80 4otc h VAL 23 Ca 0.31 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 4otc h VAL 23 Cb 0.21 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 4otc h VAL 23 CO -0.19 0.37 0.20 0.28 0.02 0.00 0.00 177.57 178.25 4otc h SER 24 N 0.96 0.94 -0.34 0.57 0.02 -0.98 -1.29 113.55 113.44 4otc h SER 24 Ca 0.19 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 4otc h SER 24 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 4otc h SER 24 CO 0.01 0.90 0.00 -0.33 -1.14 0.00 0.00 176.83 176.28 4otc h GLU 25 N 0.94 0.59 -0.96 3.45 5.08 -1.11 -1.27 114.58 121.30 4otc h GLU 25 Ca 0.21 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 4otc h GLU 25 Cb 0.30 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 4otc h GLU 25 CO -0.01 0.71 0.63 0.00 -1.00 0.00 0.00 179.01 179.35 4otc h ALA 26 N 0.86 1.37 -0.12 3.43 0.00 -0.91 0.53 119.26 124.41 4otc h ALA 26 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 4otc h ALA 26 Cb 0.44 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.89 4otc h ALA 26 CO 0.02 0.54 -0.28 0.82 0.00 0.00 0.00 179.25 180.35 4otc h ILE 27 N 1.23 1.38 -0.36 0.00 2.04 -1.08 -0.91 117.51 119.79 4otc h ILE 27 Ca 0.38 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 4otc h ILE 27 Cb -0.01 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 4otc h ILE 27 CO -0.11 0.46 0.19 -1.28 0.00 0.00 0.00 178.15 177.41 4otc h SER 28 N -0.00 0.46 -0.48 1.72 0.87 -0.98 -2.11 113.55 113.02 4otc h SER 28 Ca -0.00 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 4otc h SER 28 Cb 0.88 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 4otc h SER 28 CO 0.06 0.44 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.56 4otc h ARG 29 N 0.45 0.95 -0.83 2.24 2.43 -0.94 0.29 114.38 118.98 4otc h ARG 29 Ca 0.13 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 4otc h ARG 29 Cb 0.09 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 4otc h ARG 29 CO -0.02 1.04 0.42 0.77 -1.51 0.00 0.00 179.97 180.67 4otc h SER 30 N 0.80 1.06 -0.07 -3.80 0.02 -0.98 -3.17 113.55 107.41 4otc h SER 30 Ca 0.12 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 4otc h SER 30 Cb 0.71 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.97 4otc h SER 30 CO 0.05 0.88 0.00 0.18 -1.14 0.00 0.00 176.83 176.80 4otc n LEU 31 N -4.32 2.39 -3.57 5.07 4.77 -0.81 -4.97 117.00 115.55 4otc n LEU 31 Ca 0.08 -1.11 -0.21 0.00 -0.03 0.00 0.00 56.01 54.75 4otc n LEU 31 Cb 0.12 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 4otc n LEU 31 CO 0.39 0.45 0.11 0.47 -1.33 0.00 0.00 177.39 177.48 4otc n ASP 32 N 0.87 -3.15 -4.59 -1.43 8.00 -0.02 -4.99 116.55 111.24 4otc n ASP 32 Ca 0.10 -0.66 -0.31 0.00 0.71 0.00 0.00 54.79 54.63 4otc n ASP 32 Cb 0.40 -4.77 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 4otc n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4otc s ALA 33 N -3.41 3.00 0.27 2.24 0.00 -0.55 -5.05 121.76 118.27 4otc s ALA 33 Ca 0.20 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 4otc s ALA 33 Cb -0.09 -1.03 -0.12 0.00 0.00 0.00 0.00 23.12 21.88 4otc s ALA 33 CO 0.76 0.63 1.59 -2.30 0.00 0.00 0.00 175.76 176.44 4otc n PRO 34 N 1.14 2.60 -0.26 0.00 -0.02 -1.26 -4.59 135.00 132.61 4otc n PRO 34 Ca -0.14 0.93 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 4otc n PRO 34 Cb 0.52 -2.70 0.36 0.00 -0.02 0.00 0.00 33.50 31.66 4otc n PRO 34 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 4otc h LEU 35 N 5.08 0.68 -0.92 2.45 5.85 -1.92 0.13 115.31 126.66 4otc h LEU 35 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 4otc h LEU 35 Cb 1.23 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 4otc h LEU 35 CO 0.82 0.37 0.00 0.35 -0.34 0.00 0.00 178.44 179.64 4otc n THR 36 N -4.55 0.96 1.13 1.05 -2.24 -1.26 -1.58 114.28 107.79 4otc n THR 36 Ca 0.16 0.43 0.13 0.00 -2.27 0.00 0.00 64.05 62.50 4otc n THR 36 Cb 0.41 -1.38 0.40 0.00 -2.10 0.00 0.00 70.33 67.66 4otc n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 4otc n SER 37 N -2.19 0.53 -4.67 3.42 3.41 0.03 -4.84 113.62 109.32 4otc n SER 37 Ca 0.01 -0.33 -0.40 0.00 -0.26 0.00 0.00 58.87 57.88 4otc n SER 37 Cb 0.15 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 4otc n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4otc s VAL 38 N -2.80 4.99 -0.09 -3.33 1.01 -0.61 -2.24 120.40 117.33 4otc s VAL 38 Ca 0.18 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.51 4otc s VAL 38 Cb 0.19 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.57 4otc s VAL 38 CO 0.59 0.10 -0.22 -0.13 0.00 0.00 0.00 175.10 175.44 4otc s ARG 39 N 1.87 2.81 -0.05 2.72 0.52 -0.82 -4.99 118.95 120.99 4otc s ARG 39 Ca 0.32 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.76 4otc s ARG 39 Cb -0.16 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 4otc s ARG 39 CO 0.11 0.18 -0.23 0.08 0.02 0.00 0.00 175.30 175.47 4otc s VAL 40 N 0.33 1.86 -0.12 3.52 1.01 -1.26 -0.84 120.40 124.90 4otc s VAL 40 Ca -0.17 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.88 4otc s VAL 40 Cb -0.17 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.63 4otc s VAL 40 CO 0.08 0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 174.86 4otc s ILE 41 N -0.09 1.93 -0.18 2.22 1.01 0.73 -4.98 121.20 121.85 4otc s ILE 41 Ca -0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 4otc s ILE 41 Cb -0.13 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 4otc s ILE 41 CO 0.03 0.53 0.04 -0.63 0.00 0.00 0.00 174.94 174.91 4otc s ILE 42 N 0.71 4.58 -0.18 2.92 1.01 -1.26 0.05 121.20 129.03 4otc s ILE 42 Ca -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.45 4otc s ILE 42 Cb -0.16 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.28 4otc s ILE 42 CO 0.01 0.46 -0.14 -0.89 0.00 0.00 0.00 174.94 174.39 4otc s THR 43 N 0.41 1.74 0.18 2.92 2.01 0.60 -4.93 115.64 118.56 4otc s THR 43 Ca 0.02 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 4otc s THR 43 Cb -0.13 -1.70 -0.08 0.00 0.01 0.00 0.00 72.50 70.61 4otc s THR 43 CO 0.01 0.33 0.64 -1.61 -0.69 0.00 0.00 174.62 173.31 4otc s GLU 44 N 1.39 4.14 -0.08 4.92 2.02 -1.26 -1.59 118.70 128.24 4otc s GLU 44 Ca 0.02 0.71 0.02 0.00 0.02 0.00 0.00 54.97 55.74 4otc s GLU 44 Cb -0.15 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 4otc s GLU 44 CO -0.10 0.45 -0.13 -1.64 0.02 0.00 0.00 175.26 173.86 4otc s MET 45 N -1.90 2.87 0.45 1.61 -1.94 0.69 -4.87 119.30 116.21 4otc s MET 45 Ca 0.40 -0.67 -0.23 0.00 -1.71 0.00 0.00 55.69 53.47 4otc s MET 45 Cb -0.16 -2.50 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 4otc s MET 45 CO 0.20 0.47 1.16 0.00 -0.01 0.00 0.00 175.02 176.85 4otc s ALA 46 N -0.33 3.01 0.58 3.03 0.00 -1.26 -0.83 121.76 125.97 4otc s ALA 46 Ca 0.03 0.94 0.29 0.00 0.00 0.00 0.00 51.96 53.22 4otc s ALA 46 Cb -0.13 -3.38 1.50 0.00 0.00 0.00 0.00 23.12 21.12 4otc s ALA 46 CO 0.02 -0.62 1.94 0.87 0.00 0.00 0.00 175.76 177.97 4otc h LYS 47 N 2.17 0.00 -0.23 0.00 1.57 -1.96 0.19 116.57 118.32 4otc h LYS 47 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 4otc h LYS 47 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 4otc h LYS 47 CO 0.61 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 4otc n GLY 48 N -1.51 0.41 0.39 3.86 0.00 -1.26 -3.93 105.19 103.15 4otc n GLY 48 Ca 0.07 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.72 4otc n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4otc n HIS 49 N 0.39 0.21 -4.00 1.61 8.25 0.67 -4.94 115.22 117.41 4otc n HIS 49 Ca 0.15 -0.33 -0.30 0.00 -0.26 0.00 0.00 57.72 56.98 4otc n HIS 49 Cb 0.32 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.24 4otc n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4otc s PHE 50 N -0.88 2.11 0.07 4.41 5.36 -1.24 -4.90 117.98 122.92 4otc s PHE 50 Ca 0.13 -1.21 0.07 0.00 -0.96 0.00 0.00 56.93 54.97 4otc s PHE 50 Cb 0.08 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.17 4otc s PHE 50 CO 0.10 -0.66 -0.16 0.20 -1.46 0.00 0.00 175.22 173.24 4otc s GLY 51 N 1.51 1.66 -0.12 13.12 0.00 -1.26 -0.58 107.32 121.65 4otc s GLY 51 Ca 0.04 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.50 4otc s GLY 51 CO -0.10 -1.17 0.02 -0.42 0.00 0.00 0.00 173.10 171.43 4otc s ILE 52 N -1.04 0.40 -1.30 0.90 1.01 0.38 -4.78 121.20 116.77 4otc s ILE 52 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.71 4otc s ILE 52 Cb -0.11 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.67 4otc s ILE 52 CO 0.08 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.72 4otc n GLY 53 N 5.12 0.57 2.17 6.18 0.00 -1.26 -2.27 105.19 115.70 4otc n GLY 53 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.60 4otc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4otc n GLY 54 N -1.15 0.89 3.55 -0.02 0.00 -1.26 -5.04 105.19 102.16 4otc n GLY 54 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 4otc n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4otc s GLU 55 N -0.28 2.00 0.22 1.61 0.41 -0.96 -5.07 118.70 116.63 4otc s GLU 55 Ca 0.00 -1.08 -0.31 0.00 -0.41 0.00 0.00 54.97 53.17 4otc s GLU 55 Cb 0.00 -2.24 -0.11 0.00 -1.78 0.00 0.00 34.13 30.01 4otc s GLU 55 CO 0.00 0.50 1.59 -0.51 -0.49 0.00 0.00 175.26 176.35 4otc s LEU 56 N -2.20 4.37 0.31 1.80 1.43 -1.26 -0.47 118.68 122.66 4otc s LEU 56 Ca 0.20 2.76 0.05 0.00 -1.03 0.00 0.00 54.13 56.11 4otc s LEU 56 Cb -0.11 -3.61 0.67 0.00 0.03 0.00 0.00 46.19 43.18 4otc s LEU 56 CO 0.13 -0.86 1.84 0.00 0.23 0.00 0.00 176.35 177.69 4otc h ALA 57 N 6.12 1.66 -1.01 4.21 0.00 -1.06 -0.24 119.26 128.94 4otc h ALA 57 Ca -0.44 0.02 0.24 0.00 0.00 0.00 0.00 54.91 54.74 4otc h ALA 57 Cb 1.21 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 4otc h ALA 57 CO 0.88 0.09 0.64 0.66 0.00 0.00 0.00 179.25 181.52 4otc h SER 58 N 0.86 0.51 -0.66 0.00 4.64 -1.80 -2.22 113.55 114.89 4otc h SER 58 Ca 0.48 0.08 -0.43 0.00 -0.47 0.00 0.00 61.79 61.46 4otc h SER 58 Cb 0.61 -0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.44 4otc h SER 58 CO -0.25 0.13 -0.04 2.29 -0.87 0.00 0.00 176.83 178.09 4otc n LYS 59 N -4.65 2.58 0.00 4.77 2.85 -0.10 -5.20 118.16 118.41 4otc n LYS 59 Ca 0.24 -3.50 0.00 0.00 -1.05 0.00 0.00 58.31 54.00 4otc n LYS 59 Cb 0.79 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 4otc n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63