#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h9c s GLU 2 N 0.00 0.21 0.02 2.12 2.12 -1.26 -5.14 118.70 116.77 1h9c s GLU 2 Ca 0.00 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.24 1h9c s GLU 2 Cb 0.00 -1.12 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 1h9c s GLU 2 CO 0.00 -0.86 -0.11 0.15 -0.54 0.00 0.00 175.26 173.90 1h9c s LYS 3 N 2.25 0.75 0.03 4.30 1.02 -1.26 -4.83 119.74 122.00 1h9c s LYS 3 Ca 0.08 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 1h9c s LYS 3 Cb -0.15 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 1h9c s LYS 3 CO -0.24 0.17 0.15 0.15 -0.92 0.00 0.00 175.35 174.66 1h9c s LYS 4 N -0.86 3.24 -0.26 1.68 3.01 -0.98 -4.95 119.74 120.62 1h9c s LYS 4 Ca -0.00 -0.47 -0.08 0.00 -1.01 0.00 0.00 55.97 54.41 1h9c s LYS 4 Cb -0.06 -2.95 -0.02 0.00 -1.01 0.00 0.00 37.83 33.78 1h9c s LYS 4 CO 0.00 0.62 0.08 -1.01 0.51 0.00 0.00 175.35 175.56 1h9c s HIS 5 N -1.37 3.10 -0.31 3.18 3.76 -1.26 -0.69 115.29 121.70 1h9c s HIS 5 Ca 0.29 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1h9c s HIS 5 Cb -0.13 -2.26 0.08 0.00 1.11 0.00 0.00 32.58 31.39 1h9c s HIS 5 CO 0.21 -0.40 -0.01 0.42 -0.85 0.00 0.00 174.74 174.11 1h9c s ILE 6 N 1.60 2.40 -0.16 0.60 1.01 -0.16 -1.09 121.20 125.39 1h9c s ILE 6 Ca 0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 60.65 58.77 1h9c s ILE 6 Cb -0.16 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1h9c s ILE 6 CO 0.04 -0.30 -0.05 -0.31 0.00 0.00 0.00 174.94 174.32 1h9c s TYR 7 N 1.05 2.98 -0.16 3.97 2.02 -0.90 -2.40 117.35 123.91 1h9c s TYR 7 Ca 0.00 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1h9c s TYR 7 Cb -0.20 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1h9c s TYR 7 CO -0.06 -0.14 0.13 -0.51 -1.57 0.00 0.00 175.55 173.40 1h9c s LEU 8 N 0.54 4.25 0.08 -1.29 1.02 -0.16 -1.18 118.68 121.94 1h9c s LEU 8 Ca -0.04 0.33 0.06 0.00 0.02 0.00 0.00 54.13 54.50 1h9c s LEU 8 Cb -0.15 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 1h9c s LEU 8 CO 0.03 0.29 -0.15 -0.36 0.02 0.00 0.00 176.35 176.18 1h9c s PHE 9 N -0.32 1.31 0.02 0.29 0.40 -0.11 -1.06 117.98 118.51 1h9c s PHE 9 Ca 0.11 -0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 55.76 1h9c s PHE 9 Cb -0.12 -0.73 -0.18 0.00 0.51 0.00 0.00 43.02 42.51 1h9c s PHE 9 CO 0.01 0.09 1.22 1.03 0.70 0.00 0.00 175.22 178.27 1h9c h SER 11 N 4.11 0.43 0.00 1.36 0.87 -1.94 -1.90 113.55 116.47 1h9c h SER 11 Ca -0.41 -0.61 -0.23 0.00 -1.23 0.00 0.00 61.79 59.30 1h9c h SER 11 Cb 1.19 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1h9c h SER 11 CO 0.42 0.97 -1.88 0.00 -0.53 0.00 0.00 176.83 175.81 1h9c n ALA 12 N -2.50 1.68 -1.93 6.23 0.00 -1.26 -3.97 120.51 118.75 1h9c n ALA 12 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1h9c n ALA 12 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1h9c n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h9c n GLY 13 N 2.45 0.88 0.96 0.00 0.00 -1.26 -4.18 105.19 104.04 1h9c n GLY 13 Ca -0.24 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1h9c n GLY 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1h9c n MET 14 N -0.58 0.00 0.08 1.61 0.00 -1.26 -4.72 117.12 112.25 1h9c n MET 14 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1h9c n MET 14 Cb 0.41 -0.52 0.38 0.00 0.00 0.00 0.00 33.22 33.49 1h9c n MET 14 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1h9c h SER 15 N 0.00 0.30 0.36 3.17 0.02 -2.03 -2.73 113.55 112.64 1h9c h SER 15 Ca 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1h9c h SER 15 Cb 0.93 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1h9c h SER 15 CO 0.00 0.40 -0.10 0.71 -1.14 0.00 0.00 176.83 176.71 1h9c h THR 16 N 0.31 0.51 -0.64 -2.27 1.35 -2.01 -3.34 112.91 106.82 1h9c h THR 16 Ca 0.07 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.49 1h9c h THR 16 Cb 0.31 1.31 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 1h9c h THR 16 CO 0.01 0.10 0.42 0.77 -0.25 0.00 0.00 175.52 176.57 1h9c h SER 17 N 0.00 0.65 -0.18 5.36 4.64 -1.78 -0.99 113.55 121.24 1h9c h SER 17 Ca -0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1h9c h SER 17 Cb 0.31 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1h9c h SER 17 CO 0.01 0.45 -0.14 0.25 -0.87 0.00 0.00 176.83 176.52 1h9c h LEU 18 N 0.75 0.44 -1.37 5.97 5.85 -1.81 -2.09 115.31 123.05 1h9c h LEU 18 Ca 0.25 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1h9c h LEU 18 Cb 0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1h9c h LEU 18 CO -0.07 0.80 0.30 0.25 -0.34 0.00 0.00 178.44 179.38 1h9c h LEU 19 N 0.08 0.64 -0.11 2.25 6.46 -1.54 -1.93 115.31 121.16 1h9c h LEU 19 Ca 0.03 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1h9c h LEU 19 Cb 0.66 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1h9c h LEU 19 CO 0.04 0.51 0.06 0.58 -0.62 0.00 0.00 178.44 179.01 1h9c h VAL 20 N 0.74 1.10 0.00 1.05 2.07 -1.10 -2.10 116.25 118.01 1h9c h VAL 20 Ca 0.19 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1h9c h VAL 20 Cb 0.00 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1h9c h VAL 20 CO -0.03 0.09 -0.29 0.77 0.02 0.00 0.00 177.57 178.12 1h9c h SER 21 N 0.08 0.00 -0.39 0.57 4.64 -0.97 -0.33 113.55 117.15 1h9c h SER 21 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1h9c h SER 21 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1h9c h SER 21 CO -0.01 0.29 0.07 0.11 -0.87 0.00 0.00 176.83 176.43 1h9c h LYS 22 N 0.00 0.64 0.00 4.77 1.79 -0.95 -1.71 116.57 121.11 1h9c h LYS 22 Ca -0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1h9c h LYS 22 Cb 0.65 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1h9c h LYS 22 CO 0.04 0.69 -0.33 0.00 -1.08 0.00 0.00 179.45 178.77 1h9c n MET 23 N -4.54 0.17 -0.06 3.15 0.00 -0.83 -1.84 117.12 113.18 1h9c n MET 23 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 57.70 57.63 1h9c n MET 23 Cb 0.22 -1.65 -0.06 0.00 0.00 0.00 0.00 33.22 31.74 1h9c n MET 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1h9c h ARG 24 N 0.00 0.73 -0.49 3.17 3.08 -0.97 -1.07 114.38 118.83 1h9c h ARG 24 Ca 0.00 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.44 1h9c h ARG 24 Cb 0.65 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1h9c h ARG 24 CO 0.00 1.13 -0.13 0.00 -1.07 0.00 0.00 179.97 179.90 1h9c h ALA 25 N 0.60 0.84 -0.17 0.04 0.00 -1.20 -0.54 119.26 118.83 1h9c h ALA 25 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1h9c h ALA 25 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1h9c h ALA 25 CO 0.11 0.65 -0.47 1.96 0.00 0.00 0.00 179.25 181.50 1h9c h GLN 26 N 0.82 0.43 -0.60 0.00 1.08 -1.43 -1.66 115.11 113.76 1h9c h GLN 26 Ca 0.13 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1h9c h GLN 26 Cb 0.67 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 1h9c h GLN 26 CO 0.05 0.81 0.34 0.00 -0.95 0.00 0.00 178.83 179.08 1h9c h ALA 27 N 1.15 0.77 -0.15 3.87 0.00 -0.51 -0.56 119.26 123.83 1h9c h ALA 27 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1h9c h ALA 27 Cb 0.96 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h9c h ALA 27 CO 0.08 0.27 -0.41 0.93 0.00 0.00 0.00 179.25 180.13 1h9c h GLU 28 N 0.81 0.34 0.14 0.00 5.08 -1.03 0.10 114.58 120.02 1h9c h GLU 28 Ca 0.21 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1h9c h GLU 28 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1h9c h GLU 28 CO -0.04 0.70 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.39 1h9c h LYS 29 N 0.28 -0.17 -0.88 2.33 3.64 -0.95 -3.17 116.57 117.64 1h9c h LYS 29 Ca 0.03 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1h9c h LYS 29 Cb 0.85 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 1h9c h LYS 29 CO 0.07 0.11 0.15 0.66 -2.27 0.00 0.00 179.45 178.17 1h9c n TYR 30 N -5.04 1.31 -3.48 1.91 4.01 -0.25 -4.94 117.16 110.67 1h9c n TYR 30 Ca -0.09 -0.75 -0.15 0.00 -0.16 0.00 0.00 57.90 56.75 1h9c n TYR 30 Cb 0.20 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 1h9c n TYR 30 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1h9c n GLU 31 N 0.02 -0.67 -3.69 -0.72 0.28 -0.59 -4.95 120.64 110.32 1h9c n GLU 31 Ca 0.22 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.83 1h9c n GLU 31 Cb 0.91 -0.68 -0.11 0.00 1.43 0.00 0.00 31.44 32.99 1h9c n GLU 31 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1h9c s VAL 32 N -3.43 3.87 -0.86 3.84 1.01 0.25 -5.02 120.40 120.06 1h9c s VAL 32 Ca 0.11 -1.46 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 1h9c s VAL 32 Cb -0.06 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1h9c s VAL 32 CO 0.39 -0.44 1.60 -2.16 0.00 0.00 0.00 175.10 174.49 1h9c s PRO 33 N 1.36 3.08 0.03 2.72 0.04 -1.26 -4.58 135.00 136.38 1h9c s PRO 33 Ca 0.02 -0.43 -0.02 0.00 0.04 0.00 0.00 61.00 60.62 1h9c s PRO 33 Cb -0.22 -4.85 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 1h9c s PRO 33 CO 0.01 -2.57 0.01 0.14 0.04 0.00 0.00 177.00 174.63 1h9c s VAL 34 N 7.09 0.13 -0.37 -0.36 -7.23 -1.26 -2.33 120.40 116.07 1h9c s VAL 34 Ca 0.53 -1.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.54 1h9c s VAL 34 Cb -0.06 -0.62 0.06 0.00 0.56 0.00 0.00 36.38 36.32 1h9c s VAL 34 CO 0.03 -0.60 0.17 -0.63 -0.31 0.00 0.00 175.10 173.76 1h9c s ILE 35 N -2.11 3.88 -0.28 -0.62 -1.09 0.13 -4.93 121.20 116.18 1h9c s ILE 35 Ca -0.10 -1.32 -0.04 0.00 -2.23 0.00 0.00 60.65 56.96 1h9c s ILE 35 Cb -0.05 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1h9c s ILE 35 CO -0.03 -0.35 0.01 -0.63 -1.23 0.00 0.00 174.94 172.71 1h9c s ILE 36 N 1.38 3.30 0.03 2.92 1.01 -1.26 -0.99 121.20 127.59 1h9c s ILE 36 Ca 0.01 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1h9c s ILE 36 Cb -0.21 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1h9c s ILE 36 CO 0.02 0.06 -0.07 -1.61 0.00 0.00 0.00 174.94 173.34 1h9c s GLU 37 N 1.36 0.48 -0.07 2.79 0.41 -1.01 -4.95 118.70 117.72 1h9c s GLU 37 Ca -0.01 -0.67 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 1h9c s GLU 37 Cb -0.18 -0.25 -0.03 0.00 -1.78 0.00 0.00 34.13 31.90 1h9c s GLU 37 CO -0.01 0.04 -0.08 0.00 -0.49 0.00 0.00 175.26 174.72 1h9c s ALA 38 N -1.23 2.93 0.02 5.21 0.00 -1.26 -0.99 121.76 126.45 1h9c s ALA 38 Ca -0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 1h9c s ALA 38 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1h9c s ALA 38 CO 0.00 0.56 0.06 -0.06 0.00 0.00 0.00 175.76 176.32 1h9c s PHE 39 N -0.76 0.19 0.67 0.00 0.08 -0.22 -4.96 117.98 112.98 1h9c s PHE 39 Ca 0.12 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 1h9c s PHE 39 Cb -0.11 -0.15 0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1h9c s PHE 39 CO 0.01 -0.29 1.15 -1.25 -0.10 0.00 0.00 175.22 174.74 1h9c s PRO 40 N -1.96 2.64 0.62 0.24 0.04 -1.26 -4.20 135.00 131.13 1h9c s PRO 40 Ca -0.11 1.55 0.37 0.00 0.04 0.00 0.00 61.00 62.85 1h9c s PRO 40 Cb -0.05 -1.92 2.08 0.00 0.04 0.00 0.00 34.50 34.65 1h9c s PRO 40 CO -0.02 -1.40 2.30 1.05 0.04 0.00 0.00 177.00 178.97 1h9c h GLU 41 N 0.06 0.00 -0.10 4.56 9.09 -1.92 -1.84 114.58 124.43 1h9c h GLU 41 Ca -0.47 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.93 1h9c h GLU 41 Cb 1.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 1h9c h GLU 41 CO 0.53 0.01 0.05 1.79 0.05 0.00 0.00 179.01 181.44 1h9c h THR 42 N 0.00 1.04 -0.61 -1.06 1.35 -1.92 -2.07 112.91 109.63 1h9c h THR 42 Ca -0.00 -0.11 -0.09 0.00 -0.55 0.00 0.00 66.41 65.66 1h9c h THR 42 Cb 0.04 0.91 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 1h9c h THR 42 CO 0.00 0.04 0.11 0.18 -0.25 0.00 0.00 175.52 175.60 1h9c n LEU 43 N -4.50 5.68 -0.01 3.87 4.77 -0.69 -4.52 117.00 121.60 1h9c n LEU 43 Ca -0.01 -2.91 -0.11 0.00 -0.03 0.00 0.00 56.01 52.94 1h9c n LEU 43 Cb 0.10 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 1h9c n LEU 43 CO 0.35 0.68 0.85 0.00 -1.33 0.00 0.00 177.39 177.93 1h9c h ALA 44 N 3.40 0.12 0.73 -1.18 0.00 -1.50 -1.46 119.26 119.36 1h9c h ALA 44 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1h9c h ALA 44 Cb 2.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.82 1h9c h ALA 44 CO 0.57 -0.32 -0.35 0.78 0.00 0.00 0.00 179.25 179.93 1h9c h GLY 45 N 0.03 -1.02 0.90 0.00 0.00 -1.83 -1.01 103.07 100.14 1h9c h GLY 45 Ca 0.03 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 1h9c h GLY 45 CO -0.00 -0.37 -0.16 -2.09 0.00 0.00 0.00 176.54 173.92 1h9c h GLU 46 N -1.04 -0.42 0.04 4.80 4.57 -1.86 -2.86 114.58 117.81 1h9c h GLU 46 Ca -0.10 0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.88 1h9c h GLU 46 Cb 0.76 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1h9c h GLU 46 CO 0.16 -0.21 -1.10 0.87 -1.18 0.00 0.00 179.01 177.55 1h9c h LYS 47 N -0.55 0.08 0.00 1.92 1.79 -1.38 -3.26 116.57 115.18 1h9c h LYS 47 Ca -0.04 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1h9c h LYS 47 Cb 0.40 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1h9c h LYS 47 CO 0.07 1.05 -0.00 0.78 -1.08 0.00 0.00 179.45 180.27 1h9c h GLY 48 N 2.59 0.00 1.68 3.86 0.00 -0.99 -2.05 103.07 108.15 1h9c h GLY 48 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1h9c h GLY 48 CO 0.15 0.00 0.20 1.46 0.00 0.00 0.00 176.54 178.35 1h9c h GLN 49 N 0.00 0.35 0.00 4.80 1.08 -1.55 -2.74 115.11 117.05 1h9c h GLN 49 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1h9c h GLN 49 Cb 0.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1h9c h GLN 49 CO 0.00 0.23 -1.60 0.09 -0.95 0.00 0.00 178.83 176.61 1h9c n ASN 50 N -4.49 0.38 -4.74 1.46 3.02 -0.78 -4.95 115.26 105.16 1h9c n ASN 50 Ca 0.02 -0.34 -0.41 0.00 -0.03 0.00 0.00 54.58 53.82 1h9c n ASN 50 Cb 0.10 1.57 -0.03 0.00 -0.61 0.00 0.00 39.78 40.81 1h9c n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h9c s ALA 51 N -3.33 3.49 -0.11 5.41 0.00 -1.04 -4.72 121.76 121.47 1h9c s ALA 51 Ca -0.02 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.16 1h9c s ALA 51 Cb 0.15 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1h9c s ALA 51 CO 0.89 -0.48 1.02 -0.44 0.00 0.00 0.00 175.76 176.75 1h9c h ASP 52 N 5.04 0.00 -3.90 0.00 3.32 -1.42 -3.46 116.42 116.00 1h9c h ASP 52 Ca -0.45 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 1h9c h ASP 52 Cb 1.22 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 1h9c h ASP 52 CO 0.75 0.62 -0.41 0.54 -1.72 0.00 0.00 179.24 179.02 1h9c s VAL 53 N -2.89 0.00 -0.18 -1.35 0.11 -1.09 -4.48 120.40 110.52 1h9c s VAL 53 Ca -0.01 -0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1h9c s VAL 53 Cb 0.08 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1h9c s VAL 53 CO 0.80 -0.02 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.83 1h9c s VAL 54 N 0.04 3.86 -0.18 2.04 1.01 -0.80 -2.13 120.40 124.25 1h9c s VAL 54 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1h9c s VAL 54 Cb -0.02 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1h9c s VAL 54 CO 0.01 0.46 -0.13 -0.76 0.00 0.00 0.00 175.10 174.67 1h9c s LEU 55 N 0.76 2.51 -0.08 3.92 1.43 -0.33 -1.46 118.68 125.44 1h9c s LEU 55 Ca -0.01 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1h9c s LEU 55 Cb -0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1h9c s LEU 55 CO 0.02 0.04 0.15 -0.76 0.23 0.00 0.00 176.35 176.02 1h9c s LEU 56 N 1.09 4.33 0.46 1.79 1.43 -0.09 -0.93 118.68 126.77 1h9c s LEU 56 Ca 0.00 0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 1h9c s LEU 56 Cb -0.14 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 1h9c s LEU 56 CO -0.04 0.36 1.34 -0.83 0.23 0.00 0.00 176.35 177.41 1h9c s GLY 57 N -1.33 2.90 0.60 -3.19 0.00 -0.72 -0.86 107.32 104.72 1h9c s GLY 57 Ca 0.19 1.30 0.31 0.00 0.00 0.00 0.00 44.72 46.51 1h9c s GLY 57 CO 0.09 1.86 2.25 -0.56 0.00 0.00 0.00 173.10 176.74 1h9c h PRO 58 N 2.16 0.00 0.00 2.90 0.13 -1.94 -0.95 132.00 134.30 1h9c h PRO 58 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1h9c h PRO 58 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1h9c h PRO 58 CO 0.60 0.00 -0.34 -0.56 -0.23 0.00 0.00 178.00 177.48 1h9c h GLN 59 N 0.00 0.00 -0.28 0.86 -0.00 -1.95 -2.81 115.11 110.94 1h9c h GLN 59 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1h9c h GLN 59 Cb 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.47 1h9c h GLN 59 CO -0.00 0.34 -0.05 0.44 -0.00 0.00 0.00 178.83 179.55 1h9c n ILE 60 N -3.94 2.39 0.17 1.86 -5.35 -0.40 -4.64 119.36 109.44 1h9c n ILE 60 Ca -0.02 -2.41 0.02 0.00 -0.27 0.00 0.00 62.75 60.07 1h9c n ILE 60 Cb 0.40 -0.29 0.28 0.00 -1.74 0.00 0.00 39.64 38.29 1h9c n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h9c h ALA 61 N 1.18 1.14 0.00 -1.28 0.00 -1.19 -2.11 119.26 117.00 1h9c h ALA 61 Ca 0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1h9c h ALA 61 Cb 1.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1h9c h ALA 61 CO 0.28 0.59 -0.03 0.10 0.00 0.00 0.00 179.25 180.19 1h9c h TYR 62 N 0.00 0.00 -0.22 0.00 -0.00 -1.82 -1.95 116.97 112.98 1h9c h TYR 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h9c h TYR 62 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.61 1h9c h TYR 62 CO 0.00 0.03 0.00 -1.33 -0.00 0.00 0.00 178.16 176.86 1h9c n MET 63 N -3.66 1.63 -0.22 0.10 2.81 -0.79 -4.36 117.12 112.62 1h9c n MET 63 Ca -0.03 -0.96 0.03 0.00 -1.81 0.00 0.00 57.70 54.93 1h9c n MET 63 Cb 0.13 -1.29 0.14 0.00 -0.71 0.00 0.00 33.22 31.49 1h9c n MET 63 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1h9c h LEU 64 N 1.72 0.03 -1.61 4.03 5.85 -1.47 0.13 115.31 123.99 1h9c h LEU 64 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1h9c h LEU 64 Cb 0.39 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1h9c h LEU 64 CO 0.00 0.00 -0.21 1.55 -0.34 0.00 0.00 178.44 179.44 1h9c h PRO 65 N 0.28 0.00 0.17 5.25 0.13 -1.85 -1.56 132.00 134.42 1h9c h PRO 65 Ca 0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.18 1h9c h PRO 65 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 1h9c h PRO 65 CO -0.44 0.21 -1.43 1.49 -0.23 0.00 0.00 178.00 177.60 1h9c h GLU 66 N 0.00 0.35 -0.63 0.86 4.57 -1.34 -0.71 114.58 117.68 1h9c h GLU 66 Ca -0.00 -0.60 -0.08 0.00 -1.18 0.00 0.00 59.36 57.50 1h9c h GLU 66 Cb 0.39 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1h9c h GLU 66 CO 0.03 1.26 0.08 0.82 -1.18 0.00 0.00 179.01 180.02 1h9c h ILE 67 N 0.10 1.26 0.00 2.32 1.08 -0.72 -1.95 117.51 119.59 1h9c h ILE 67 Ca -0.22 -1.05 -0.08 0.00 -0.39 0.00 0.00 64.86 63.13 1h9c h ILE 67 Cb 2.05 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1h9c h ILE 67 CO 0.21 0.39 -0.38 1.56 -0.69 0.00 0.00 178.15 179.24 1h9c h GLN 68 N 0.97 0.00 -0.67 2.37 1.08 -1.29 -0.44 115.11 117.13 1h9c h GLN 68 Ca 0.19 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1h9c h GLN 68 Cb 0.46 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1h9c h GLN 68 CO 0.02 0.38 0.12 -0.09 -0.95 0.00 0.00 178.83 178.30 1h9c h ARG 69 N 0.00 1.11 0.26 1.46 2.43 -0.68 -1.99 114.38 116.97 1h9c h ARG 69 Ca -0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1h9c h ARG 69 Cb 0.97 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1h9c h ARG 69 CO 0.05 1.01 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.32 1h9c h LEU 70 N 1.04 -0.30 -6.54 3.80 3.38 -1.13 -3.40 115.31 112.16 1h9c h LEU 70 Ca 0.21 -0.17 -0.60 0.00 0.09 0.00 0.00 57.88 57.41 1h9c h LEU 70 Cb 0.43 0.08 -0.41 0.00 0.09 0.00 0.00 40.66 40.85 1h9c h LEU 70 CO 0.01 0.02 -0.71 0.18 0.09 0.00 0.00 178.44 178.02 1h9c n LEU 71 N -5.13 2.33 0.24 1.67 4.77 -0.20 -4.96 117.00 115.73 1h9c n LEU 71 Ca -0.09 -5.09 0.12 0.00 -0.03 0.00 0.00 56.01 50.92 1h9c n LEU 71 Cb 0.24 -0.33 0.50 0.00 -2.33 0.00 0.00 43.42 41.50 1h9c n LEU 71 CO 0.32 1.91 0.86 1.55 -1.33 0.00 0.00 177.39 180.70 1h9c h PRO 72 N 4.85 0.00 -0.01 3.23 0.13 -1.59 -2.94 132.00 135.67 1h9c h PRO 72 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h9c h PRO 72 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1h9c h PRO 72 CO 0.67 0.14 -0.02 0.09 -0.23 0.00 0.00 178.00 178.64 1h9c n ASN 73 N -3.26 0.91 -4.52 1.44 4.13 -1.26 -4.81 115.26 107.89 1h9c n ASN 73 Ca 0.01 -1.22 -0.34 0.00 1.68 0.00 0.00 54.58 54.71 1h9c n ASN 73 Cb 0.40 -0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.52 1h9c n ASN 73 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1h9c s LYS 74 N -2.07 3.21 -0.20 3.52 -0.14 -1.11 -5.08 119.74 117.87 1h9c s LYS 74 Ca 0.39 -0.56 -0.29 0.00 -1.36 0.00 0.00 55.97 54.16 1h9c s LYS 74 Cb 0.21 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.61 1h9c s LYS 74 CO 0.37 0.43 1.47 -1.25 -0.76 0.00 0.00 175.35 175.61 1h9c s PRO 75 N -0.17 3.98 -0.16 -1.68 0.04 -1.26 -4.98 135.00 130.78 1h9c s PRO 75 Ca 0.02 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1h9c s PRO 75 Cb -0.13 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.50 1h9c s PRO 75 CO 0.03 -1.05 -0.15 0.08 0.04 0.00 0.00 177.00 175.94 1h9c s VAL 76 N 4.45 1.68 0.20 -0.36 1.01 -1.26 -1.90 120.40 124.21 1h9c s VAL 76 Ca 0.64 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1h9c s VAL 76 Cb -0.24 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1h9c s VAL 76 CO 0.24 0.45 -0.16 -1.61 0.00 0.00 0.00 175.10 174.03 1h9c s GLU 77 N 1.44 1.34 -0.13 2.72 0.41 -0.54 -5.01 118.70 118.93 1h9c s GLU 77 Ca 0.05 -1.55 -0.08 0.00 -0.41 0.00 0.00 54.97 52.98 1h9c s GLU 77 Cb -0.13 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 30.93 1h9c s GLU 77 CO -0.11 0.22 0.15 0.08 -0.49 0.00 0.00 175.26 175.11 1h9c s VAL 78 N -2.64 5.48 0.01 2.63 1.01 -1.26 -0.91 120.40 124.73 1h9c s VAL 78 Ca 0.21 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1h9c s VAL 78 Cb -0.03 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1h9c s VAL 78 CO 0.07 0.59 1.32 -0.63 0.00 0.00 0.00 175.10 176.45 1h9c s ILE 79 N -0.78 3.83 0.22 2.22 1.01 -0.04 -4.88 121.20 122.79 1h9c s ILE 79 Ca 0.14 1.24 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 1h9c s ILE 79 Cb -0.12 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 1h9c s ILE 79 CO 0.03 0.03 1.66 -0.62 0.00 0.00 0.00 174.94 176.04 1h9c s ASP 80 N 1.55 6.42 0.41 3.58 2.15 -1.26 -4.22 116.67 125.30 1h9c s ASP 80 Ca 0.61 2.84 0.10 0.00 0.43 0.00 0.00 52.55 56.53 1h9c s ASP 80 Cb -0.30 -2.61 0.91 0.00 -0.30 0.00 0.00 42.92 40.62 1h9c s ASP 80 CO 0.26 -0.92 2.00 0.28 -0.17 0.00 0.00 175.17 176.62 1h9c h SER 81 N 6.25 0.46 0.17 -0.34 0.02 -1.99 -1.58 113.55 116.55 1h9c h SER 81 Ca -0.44 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.24 1h9c h SER 81 Cb 1.21 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.67 1h9c h SER 81 CO 0.90 0.30 -1.10 0.25 -1.14 0.00 0.00 176.83 176.04 1h9c h LEU 82 N 0.53 0.78 -1.07 5.07 7.12 -1.99 -1.08 115.31 124.67 1h9c h LEU 82 Ca 0.24 -0.67 -0.02 0.00 0.13 0.00 0.00 57.88 57.56 1h9c h LEU 82 Cb 0.28 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.13 1h9c h LEU 82 CO -0.07 1.48 0.40 -0.07 -0.13 0.00 0.00 178.44 180.05 1h9c h LEU 83 N 0.30 0.94 -0.51 2.25 3.38 -1.88 -2.04 115.31 117.74 1h9c h LEU 83 Ca -0.14 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1h9c h LEU 83 Cb 1.76 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1h9c h LEU 83 CO 0.21 0.76 -0.03 0.22 0.09 0.00 0.00 178.44 179.69 1h9c h TYR 84 N 1.05 1.02 -0.59 1.13 5.03 -1.25 -0.65 116.97 122.70 1h9c h TYR 84 Ca 0.26 -0.19 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1h9c h TYR 84 Cb 0.05 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.04 1h9c h TYR 84 CO 0.01 0.95 0.27 0.78 -1.32 0.00 0.00 178.16 178.85 1h9c h GLY 85 N 0.79 0.92 2.00 1.82 0.00 -0.96 -2.68 103.07 104.95 1h9c h GLY 85 Ca 0.14 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1h9c h GLY 85 CO 0.03 0.44 -0.64 0.50 0.00 0.00 0.00 176.54 176.87 1h9c h LYS 86 N 0.81 0.00 -5.48 4.80 1.57 -1.36 -3.49 116.57 113.42 1h9c h LYS 86 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1h9c h LYS 86 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1h9c h LYS 86 CO -0.02 0.64 -0.10 0.28 -0.57 0.00 0.00 179.45 179.68 1h9c n VAL 87 N -3.52 -9.63 -3.69 0.50 0.31 -0.33 -5.01 118.33 96.95 1h9c n VAL 87 Ca -0.00 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.75 1h9c n VAL 87 Cb 0.69 -6.61 -0.10 0.00 -0.91 0.00 0.00 33.84 26.91 1h9c n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h9c s ASP 88 N -2.99 5.42 0.20 4.52 2.15 -0.74 -4.98 116.67 120.24 1h9c s ASP 88 Ca 0.01 -2.04 -0.11 0.00 0.43 0.00 0.00 52.55 50.84 1h9c s ASP 88 Cb -0.00 -1.90 0.14 0.00 -0.30 0.00 0.00 42.92 40.86 1h9c s ASP 88 CO 0.76 -0.59 1.87 1.23 -0.17 0.00 0.00 175.17 178.27 1h9c h GLY 89 N 8.14 0.97 0.97 2.66 0.00 -1.87 -3.12 103.07 110.83 1h9c h GLY 89 Ca -0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1h9c h GLY 89 CO 0.76 0.34 0.14 -2.00 0.00 0.00 0.00 176.54 175.78 1h9c h LEU 90 N 0.92 0.74 -0.82 3.11 5.85 -1.93 -0.71 115.31 122.47 1h9c h LEU 90 Ca 0.26 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1h9c h LEU 90 Cb -0.09 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 1h9c h LEU 90 CO -0.06 0.76 0.50 1.23 -0.34 0.00 0.00 178.44 180.52 1h9c h GLY 91 N 0.68 1.23 1.37 3.75 0.00 -1.97 0.10 103.07 108.23 1h9c h GLY 91 Ca 0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 47.33 46.86 1h9c h GLY 91 CO -0.00 0.23 -1.18 -2.08 0.00 0.00 0.00 176.54 173.50 1h9c h VAL 92 N 0.90 1.34 -0.80 4.60 2.07 -1.49 -2.68 116.25 120.20 1h9c h VAL 92 Ca 0.36 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.29 1h9c h VAL 92 Cb 0.20 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1h9c h VAL 92 CO -0.18 0.77 0.34 0.25 0.02 0.00 0.00 177.57 178.76 1h9c h LEU 93 N 0.24 1.08 -0.48 2.57 5.85 -0.73 -1.09 115.31 122.74 1h9c h LEU 93 Ca -0.16 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1h9c h LEU 93 Cb 1.86 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1h9c h LEU 93 CO 0.22 0.94 0.10 0.50 -0.34 0.00 0.00 178.44 179.86 1h9c h LYS 94 N 1.15 0.77 -0.42 1.25 3.64 -0.79 -0.28 116.57 121.89 1h9c h LYS 94 Ca 0.27 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1h9c h LYS 94 Cb 0.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1h9c h LYS 94 CO -0.03 0.76 -0.06 0.00 -2.27 0.00 0.00 179.45 177.86 1h9c h ALA 95 N 0.97 1.11 -0.30 5.00 0.00 -1.19 -1.58 119.26 123.27 1h9c h ALA 95 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1h9c h ALA 95 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1h9c h ALA 95 CO 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 1h9c h ALA 96 N 1.27 0.42 0.00 0.00 0.00 -0.95 -2.60 119.26 117.40 1h9c h ALA 96 Ca 0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1h9c h ALA 96 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1h9c h ALA 96 CO 0.03 0.27 -0.48 -0.24 0.00 0.00 0.00 179.25 178.83 1h9c h VAL 97 N 0.36 1.10 -0.46 0.00 3.04 -0.92 -1.71 116.25 117.67 1h9c h VAL 97 Ca 0.07 -1.78 -0.12 0.00 -1.01 0.00 0.00 66.70 63.86 1h9c h VAL 97 Cb 0.61 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1h9c h VAL 97 CO 0.04 0.47 -0.20 0.00 -1.01 0.00 0.00 177.57 176.86 1h9c h ALA 98 N 1.52 0.79 0.00 3.17 0.00 -1.13 -0.48 119.26 123.13 1h9c h ALA 98 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1h9c h ALA 98 Cb 0.99 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1h9c h ALA 98 CO 0.06 0.66 -0.69 0.00 0.00 0.00 0.00 179.25 179.28 1h9c h ALA 99 N 0.98 0.80 -0.28 0.00 0.00 -1.04 -1.98 119.26 117.74 1h9c h ALA 99 Ca 0.11 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1h9c h ALA 99 Cb 0.75 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1h9c h ALA 99 CO 0.06 0.86 -0.30 0.82 0.00 0.00 0.00 179.25 180.69 1h9c h ILE 100 N 0.00 1.30 -0.95 0.00 2.04 -1.22 -1.31 117.51 117.37 1h9c h ILE 100 Ca -0.01 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.44 1h9c h ILE 100 Cb 1.26 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.89 1h9c h ILE 100 CO 0.09 0.47 0.62 0.11 0.00 0.00 0.00 178.15 179.44 1h9c h LYS 101 N 0.44 1.09 -0.07 2.37 1.57 -0.92 0.17 116.57 121.22 1h9c h LYS 101 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1h9c h LYS 101 Cb 0.87 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1h9c h LYS 101 CO 0.07 0.72 0.01 -0.22 -0.57 0.00 0.00 179.45 179.46 1h9c h LYS 102 N 1.12 0.12 -0.80 3.15 3.64 -1.19 -0.80 116.57 121.82 1h9c h LYS 102 Ca 0.40 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.81 1h9c h LYS 102 Cb 0.14 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1h9c h LYS 102 CO -0.15 0.37 0.52 0.00 -2.27 0.00 0.00 179.45 177.92 1h9c h ALA 103 N 0.75 1.62 -1.20 5.00 0.00 -0.97 -2.91 119.26 121.54 1h9c h ALA 103 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h9c h ALA 103 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1h9c h ALA 103 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1h9c n ALA 104 N -2.43 -0.18 -2.88 0.00 0.00 0.02 -4.93 120.51 110.11 1h9c n ALA 104 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1h9c n ALA 104 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 1h9c n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h9c s ALA 105 N -2.92 -3.55 0.00 0.00 0.00 -0.32 -5.09 121.76 109.88 1h9c s ALA 105 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1h9c s ALA 105 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1h9c s ALA 105 CO 0.00 -2.39 0.00 0.09 0.00 0.00 0.00 175.76 173.46