#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 1.14 -0.06 4.25 1.01 -1.26 -1.82 121.20 124.46 4otc s ILE 2 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.20 4otc s ILE 2 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 4otc s ILE 2 CO 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 174.94 175.09 4otc s ALA 3 N 1.64 2.65 -0.14 9.38 0.00 0.08 -5.00 121.76 130.37 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 -0.14 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.99 4otc s ALA 3 CO -0.08 0.50 -0.20 -1.14 0.00 0.00 0.00 175.76 174.83 4otc s GLN 4 N -0.52 2.83 -0.18 0.00 0.74 -1.26 -0.20 119.66 121.08 4otc s GLN 4 Ca 0.07 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 4otc s GLN 4 Cb -0.12 -2.35 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 4otc s GLN 4 CO 0.01 -0.08 -0.12 0.42 -0.55 0.00 0.00 175.29 174.98 4otc s ILE 5 N 0.98 2.90 -0.28 -2.34 1.01 0.94 -4.97 121.20 119.45 4otc s ILE 5 Ca -0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 4otc s ILE 5 Cb -0.15 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 4otc s ILE 5 CO -0.05 0.49 0.22 -1.00 0.00 0.00 0.00 174.94 174.61 4otc s HIS 6 N 1.00 3.22 0.05 3.97 3.76 -1.26 -0.12 115.29 125.91 4otc s HIS 6 Ca -0.01 0.15 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 4otc s HIS 6 Cb -0.15 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 4otc s HIS 6 CO -0.02 -0.18 -0.10 0.96 -0.85 0.00 0.00 174.74 174.55 4otc s ILE 7 N 1.81 0.70 0.43 0.60 -4.36 -0.50 -4.98 121.20 114.90 4otc s ILE 7 Ca 0.08 -1.08 -0.25 0.00 -0.26 0.00 0.00 60.65 59.14 4otc s ILE 7 Cb -0.16 -0.73 -0.08 0.00 1.25 0.00 0.00 42.46 42.74 4otc s ILE 7 CO 0.11 -0.30 1.24 -0.76 0.24 0.00 0.00 174.94 175.47 4otc s LEU 8 N -1.51 4.13 0.72 0.37 1.43 -1.26 -0.15 118.68 122.40 4otc s LEU 8 Ca -0.07 2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 55.38 4otc s LEU 8 Cb -0.09 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.11 4otc s LEU 8 CO 0.01 -0.88 1.19 -1.83 0.23 0.00 0.00 176.35 175.06 4otc s GLU 9 N -2.42 2.22 0.00 1.70 -1.05 -0.20 -4.46 118.70 114.49 4otc s GLU 9 Ca 0.60 1.68 0.00 0.00 -0.15 0.00 0.00 54.97 57.10 4otc s GLU 9 Cb -0.34 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 4otc s GLU 9 CO 0.42 -1.75 0.00 0.41 0.95 0.00 0.00 175.26 175.29 4otc n GLY 10 N 0.20 1.43 3.84 -3.83 0.00 -1.26 -4.92 105.19 100.65 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 4.01 0.80 1.61 3.00 -1.26 -5.06 118.95 122.05 4otc s ARG 11 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 55.73 56.46 4otc s ARG 11 Cb 0.00 -2.27 0.07 0.00 0.00 0.00 0.00 34.95 32.76 4otc s ARG 11 CO 0.00 -0.06 1.09 -1.54 0.00 0.00 0.00 175.30 174.80 4otc s SER 12 N -2.65 4.44 0.32 0.23 1.04 -1.26 -4.89 113.70 110.93 4otc s SER 12 Ca 0.57 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.36 4otc s SER 12 Cb -0.10 -2.09 0.53 0.00 0.10 0.00 0.00 66.02 64.47 4otc s SER 12 CO 0.23 -2.01 1.96 0.44 0.98 0.00 0.00 173.24 174.84 4otc h ASP 13 N -1.11 0.79 0.02 7.02 5.19 -1.99 -2.06 116.42 124.27 4otc h ASP 13 Ca -0.47 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 55.89 4otc h ASP 13 Cb 1.27 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.58 4otc h ASP 13 CO 0.59 0.62 -0.01 -0.08 -3.12 0.00 0.00 179.24 177.24 4otc h GLU 14 N 0.91 -0.02 -0.95 3.56 4.81 -1.99 -0.31 114.58 120.59 4otc h GLU 14 Ca 0.24 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 4otc h GLU 14 Cb -0.01 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 4otc h GLU 14 CO -0.04 0.22 0.61 1.96 -0.73 0.00 0.00 179.01 181.02 4otc h GLN 15 N -0.26 1.07 -0.17 1.92 4.20 -1.85 0.64 115.11 120.65 4otc h GLN 15 Ca -0.00 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 4otc h GLN 15 Cb 0.25 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 4otc h GLN 15 CO 0.00 0.71 -0.33 0.87 -0.67 0.00 0.00 178.83 179.41 4otc h LYS 16 N 1.10 0.35 -0.44 1.46 1.57 -1.24 0.04 116.57 119.41 4otc h LYS 16 Ca 0.41 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 4otc h LYS 16 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 4otc h LYS 16 CO -0.17 0.64 -0.11 0.93 -0.57 0.00 0.00 179.45 180.17 4otc h GLU 17 N 0.30 0.85 -0.33 3.15 5.08 -0.32 -1.49 114.58 121.82 4otc h GLU 17 Ca 0.04 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 4otc h GLU 17 Cb 0.73 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 4otc h GLU 17 CO 0.06 0.96 0.09 1.15 -1.00 0.00 0.00 179.01 180.27 4otc h THR 18 N 0.68 1.21 -0.31 1.13 2.02 -0.59 -1.88 112.91 115.17 4otc h THR 18 Ca 0.11 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.64 4otc h THR 18 Cb 0.65 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 4otc h THR 18 CO 0.04 0.24 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 4otc h LEU 19 N 0.38 -0.26 -1.18 2.58 5.85 -0.81 0.28 115.31 122.16 4otc h LEU 19 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.92 4otc h LEU 19 Cb 0.28 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 4otc h LEU 19 CO -0.00 -0.09 0.56 0.40 -0.34 0.00 0.00 178.44 178.97 4otc h ILE 20 N 0.02 1.21 0.18 4.05 2.04 -1.11 -1.10 117.51 122.81 4otc h ILE 20 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 4otc h ILE 20 Cb 0.22 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 4otc h ILE 20 CO -0.31 0.21 -0.09 -0.09 0.00 0.00 0.00 178.15 177.87 4otc h ARG 21 N 1.13 -0.23 -0.67 2.37 2.43 -0.30 -2.51 114.38 116.61 4otc h ARG 21 Ca 0.31 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 4otc h ARG 21 Cb -0.13 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 4otc h ARG 21 CO -0.07 0.18 0.40 0.93 -1.51 0.00 0.00 179.97 179.90 4otc h GLU 22 N -0.79 0.74 -0.61 0.20 4.39 -0.43 -1.72 114.58 116.37 4otc h GLU 22 Ca -0.02 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 4otc h GLU 22 Cb 0.52 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 4otc h GLU 22 CO 0.04 0.49 0.16 0.28 -1.16 0.00 0.00 179.01 178.82 4otc h VAL 23 N 0.76 1.25 -0.70 3.13 2.07 -1.30 -0.64 116.25 120.83 4otc h VAL 23 Ca 0.28 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 4otc h VAL 23 Cb 0.09 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 4otc h VAL 23 CO -0.14 0.33 0.39 0.28 0.02 0.00 0.00 177.57 178.45 4otc h SER 24 N 0.88 0.86 -0.55 0.57 0.02 -1.04 -0.75 113.55 113.54 4otc h SER 24 Ca 0.19 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 4otc h SER 24 Cb 0.33 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 4otc h SER 24 CO -0.00 0.70 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.96 4otc h GLU 25 N 0.95 1.04 -0.57 3.45 5.08 -1.09 -1.18 114.58 122.26 4otc h GLU 25 Ca 0.25 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 4otc h GLU 25 Cb 0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 4otc h GLU 25 CO -0.04 1.08 0.16 0.00 -1.00 0.00 0.00 179.01 179.21 4otc h ALA 26 N 0.94 1.23 -0.07 3.43 0.00 -0.69 0.06 119.26 124.16 4otc h ALA 26 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 4otc h ALA 26 Cb 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.24 4otc h ALA 26 CO 0.05 0.54 -0.30 0.82 0.00 0.00 0.00 179.25 180.36 4otc h ILE 27 N 0.83 1.42 -0.42 0.00 2.04 -0.92 -1.45 117.51 119.02 4otc h ILE 27 Ca 0.19 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 4otc h ILE 27 Cb 0.26 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 4otc h ILE 27 CO -0.01 0.49 0.25 -1.28 0.00 0.00 0.00 178.15 177.60 4otc h SER 28 N -0.16 0.51 -0.49 1.72 0.87 -1.10 -2.18 113.55 112.72 4otc h SER 28 Ca -0.02 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.39 4otc h SER 28 Cb 0.95 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 4otc h SER 28 CO 0.06 0.42 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.63 4otc h ARG 29 N 0.55 0.90 -0.62 2.24 2.43 -1.04 -0.02 114.38 118.82 4otc h ARG 29 Ca 0.15 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 4otc h ARG 29 Cb 0.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 4otc h ARG 29 CO -0.03 0.97 0.21 0.77 -1.51 0.00 0.00 179.97 180.38 4otc h SER 30 N 0.76 0.85 -0.16 -3.80 0.02 -1.06 -3.16 113.55 107.01 4otc h SER 30 Ca 0.13 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4otc h SER 30 Cb 0.60 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.92 4otc h SER 30 CO 0.04 0.79 0.00 0.18 -1.14 0.00 0.00 176.83 176.70 4otc n LEU 31 N -4.29 2.48 -3.65 5.07 4.77 -0.84 -4.98 117.00 115.57 4otc n LEU 31 Ca 0.05 -1.34 -0.23 0.00 -0.03 0.00 0.00 56.01 54.46 4otc n LEU 31 Cb 0.20 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 4otc n LEU 31 CO 0.40 0.53 0.10 0.47 -1.33 0.00 0.00 177.39 177.56 4otc n ASP 32 N 0.77 -3.60 -4.65 -1.43 8.00 -0.12 -4.99 116.55 110.53 4otc n ASP 32 Ca 0.10 -0.68 -0.30 0.00 0.71 0.00 0.00 54.79 54.62 4otc n ASP 32 Cb 0.39 -4.58 -0.09 0.00 -0.02 0.00 0.00 41.12 36.82 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 3.18 0.22 2.24 0.00 -0.61 -5.05 121.76 118.33 4otc s ALA 33 Ca 0.30 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 4otc s ALA 33 Cb -0.14 -1.11 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 4otc s ALA 33 CO 0.77 0.68 1.60 -2.14 0.00 0.00 0.00 175.76 176.67 4otc s PRO 34 N -2.22 4.17 0.36 0.00 0.02 -1.26 -4.61 135.00 131.46 4otc s PRO 34 Ca 0.24 2.48 0.11 0.00 0.02 0.00 0.00 61.00 63.85 4otc s PRO 34 Cb -0.11 -3.09 0.90 0.00 0.02 0.00 0.00 34.50 32.21 4otc s PRO 34 CO 0.16 -0.63 1.82 1.25 -0.33 0.00 0.00 177.00 179.27 4otc h LEU 35 N 6.05 0.61 -0.30 -5.54 5.85 -1.93 0.13 115.31 120.18 4otc h LEU 35 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 4otc h LEU 35 Cb 1.21 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.20 4otc h LEU 35 CO 0.88 0.23 0.00 0.35 -0.34 0.00 0.00 178.44 179.56 4otc n THR 36 N -4.63 1.18 1.21 1.05 -2.24 -1.26 -1.64 114.28 107.95 4otc n THR 36 Ca 0.21 0.35 0.13 0.00 -2.27 0.00 0.00 64.05 62.47 4otc n THR 36 Cb 0.63 -1.22 0.35 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.74 0.99 -4.67 3.42 3.41 0.45 -4.85 113.62 110.63 4otc n SER 37 Ca 0.02 -0.83 -0.39 0.00 -0.26 0.00 0.00 58.87 57.40 4otc n SER 37 Cb 0.13 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.56 5.07 -0.09 -3.33 1.01 -0.65 -2.05 120.40 117.79 4otc s VAL 38 Ca 0.23 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.31 4otc s VAL 38 Cb 0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.68 4otc s VAL 38 CO 0.54 0.16 -0.21 -0.13 0.00 0.00 0.00 175.10 175.46 4otc s ARG 39 N 1.67 2.71 -0.06 2.72 0.52 -0.75 -5.00 118.95 120.76 4otc s ARG 39 Ca 0.27 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 4otc s ARG 39 Cb -0.16 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 4otc s ARG 39 CO 0.10 0.13 -0.25 0.08 0.02 0.00 0.00 175.30 175.39 4otc s VAL 40 N 0.45 2.07 -0.13 3.52 1.01 -1.26 -0.74 120.40 125.32 4otc s VAL 40 Ca -0.17 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.78 4otc s VAL 40 Cb -0.17 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.46 4otc s VAL 40 CO 0.07 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 174.90 4otc s ILE 41 N -0.10 1.94 -0.18 2.22 1.01 0.72 -4.98 121.20 121.83 4otc s ILE 41 Ca -0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 4otc s ILE 41 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 4otc s ILE 41 CO 0.04 0.53 0.04 -0.63 0.00 0.00 0.00 174.94 174.92 4otc s ILE 42 N 0.78 4.57 -0.19 2.92 1.01 -1.26 -0.04 121.20 128.98 4otc s ILE 42 Ca -0.09 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.46 4otc s ILE 42 Cb -0.16 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.30 4otc s ILE 42 CO -0.00 0.46 -0.13 -0.89 0.00 0.00 0.00 174.94 174.39 4otc s THR 43 N 0.40 1.75 0.18 2.92 2.01 0.82 -4.93 115.64 118.80 4otc s THR 43 Ca 0.01 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 4otc s THR 43 Cb -0.13 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.55 4otc s THR 43 CO 0.01 0.26 0.67 -1.61 -0.69 0.00 0.00 174.62 173.26 4otc s GLU 44 N 1.36 4.22 -0.09 4.92 2.02 -1.26 -1.41 118.70 128.46 4otc s GLU 44 Ca 0.00 0.80 0.02 0.00 0.02 0.00 0.00 54.97 55.81 4otc s GLU 44 Cb -0.15 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 4otc s GLU 44 CO -0.09 0.46 -0.16 -1.64 0.02 0.00 0.00 175.26 173.85 4otc s MET 45 N -1.78 2.97 0.52 1.61 -1.94 0.78 -4.87 119.30 116.59 4otc s MET 45 Ca 0.39 -0.73 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 4otc s MET 45 Cb -0.17 -2.47 -0.06 0.00 2.01 0.00 0.00 34.83 34.14 4otc s MET 45 CO 0.21 0.37 1.20 0.00 -0.01 0.00 0.00 175.02 176.79 4otc s ALA 46 N -0.08 2.81 0.64 3.03 0.00 -1.26 -1.03 121.76 125.87 4otc s ALA 46 Ca -0.03 1.00 0.32 0.00 0.00 0.00 0.00 51.96 53.25 4otc s ALA 46 Cb -0.14 -3.42 1.76 0.00 0.00 0.00 0.00 23.12 21.32 4otc s ALA 46 CO 0.04 -0.90 2.03 0.87 0.00 0.00 0.00 175.76 177.80 4otc h LYS 47 N 1.56 0.00 -0.56 0.00 1.57 -1.96 0.82 116.57 118.01 4otc h LYS 47 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 4otc h LYS 47 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 4otc h LYS 47 CO 0.58 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 4otc n GLY 48 N -1.26 1.73 0.27 3.86 0.00 -1.26 -4.05 105.19 104.48 4otc n GLY 48 Ca -0.00 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 1.24 0.17 -3.97 1.61 8.25 0.28 -4.95 115.22 117.85 4otc n HIS 49 Ca 0.20 -0.40 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 4otc n HIS 49 Cb 0.51 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.89 1.88 0.07 4.41 5.36 -1.24 -4.89 117.98 122.68 4otc s PHE 50 Ca 0.10 -1.02 0.08 0.00 -0.96 0.00 0.00 56.93 55.12 4otc s PHE 50 Cb 0.05 -1.44 -0.04 0.00 -0.34 0.00 0.00 43.02 41.25 4otc s PHE 50 CO 0.07 -0.61 -0.18 0.20 -1.46 0.00 0.00 175.22 173.25 4otc s GLY 51 N 1.58 1.62 -0.10 13.12 0.00 -1.26 -0.34 107.32 121.94 4otc s GLY 51 Ca 0.05 -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 0.03 -0.42 0.00 0.00 0.00 173.10 171.45 4otc s ILE 52 N -1.01 0.26 -1.30 0.90 1.01 0.52 -4.77 121.20 116.81 4otc s ILE 52 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.82 4otc s ILE 52 Cb -0.11 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.80 4otc s ILE 52 CO 0.07 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.70 4otc n GLY 53 N 5.17 1.00 1.93 6.18 0.00 -1.26 -2.16 105.19 116.05 4otc n GLY 53 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.31 0.82 3.54 -0.02 0.00 -1.26 -5.04 105.19 101.92 4otc n GLY 54 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.34 2.02 0.21 1.61 0.41 -0.92 -5.07 118.70 116.64 4otc s GLU 55 Ca 0.00 -1.06 -0.32 0.00 -0.41 0.00 0.00 54.97 53.18 4otc s GLU 55 Cb 0.00 -2.24 -0.11 0.00 -1.78 0.00 0.00 34.13 29.99 4otc s GLU 55 CO 0.00 0.50 1.66 -0.51 -0.49 0.00 0.00 175.26 176.42 4otc s LEU 56 N -2.12 4.37 0.29 1.80 1.43 -1.26 -0.35 118.68 122.83 4otc s LEU 56 Ca 0.20 2.82 0.03 0.00 -1.03 0.00 0.00 54.13 56.14 4otc s LEU 56 Cb -0.11 -3.60 0.61 0.00 0.03 0.00 0.00 46.19 43.12 4otc s LEU 56 CO 0.12 -0.92 1.82 0.00 0.23 0.00 0.00 176.35 177.60 4otc h ALA 57 N 6.44 1.57 -1.05 4.21 0.00 -0.90 -0.41 119.26 129.11 4otc h ALA 57 Ca -0.44 0.04 0.27 0.00 0.00 0.00 0.00 54.91 54.78 4otc h ALA 57 Cb 1.20 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 4otc h ALA 57 CO 0.92 0.15 0.67 0.66 0.00 0.00 0.00 179.25 181.64 4otc h SER 58 N 0.93 0.46 -0.62 0.00 4.64 -1.80 -2.05 113.55 115.11 4otc h SER 58 Ca 0.52 0.09 -0.39 0.00 -0.47 0.00 0.00 61.79 61.54 4otc h SER 58 Cb 0.60 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 62.48 4otc h SER 58 CO -0.29 0.07 -0.03 2.29 -0.87 0.00 0.00 176.83 178.00 4otc n LYS 59 N -4.66 2.46 0.00 4.77 2.85 -0.17 -5.19 118.16 118.22 4otc n LYS 59 Ca 0.26 -3.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.08 4otc n LYS 59 Cb 0.90 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 4otc n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63