#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a24 s THR 7 N 0.00 2.75 0.32 -0.18 2.01 -1.26 -1.61 115.64 117.68 2a24 s THR 7 Ca 0.00 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.13 2a24 s THR 7 Cb 0.00 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2a24 s THR 7 CO 0.00 0.28 -0.01 0.72 -0.69 0.00 0.00 174.62 174.92 2a24 s PHE 8 N 1.33 2.54 -0.21 4.92 -0.71 -0.78 -4.98 117.98 120.10 2a24 s PHE 8 Ca 0.01 -0.39 -0.08 0.00 -1.04 0.00 0.00 56.93 55.44 2a24 s PHE 8 Cb -0.16 -1.38 -0.04 0.00 -1.21 0.00 0.00 43.02 40.23 2a24 s PHE 8 CO -0.06 0.53 0.07 -1.17 -1.34 0.00 0.00 175.22 173.25 2a24 s LEU 9 N -3.69 3.74 -0.45 -1.99 1.98 -1.26 -0.92 118.68 116.09 2a24 s LEU 9 Ca 0.34 0.00 0.02 0.00 -2.89 0.00 0.00 54.13 51.60 2a24 s LEU 9 Cb -0.02 -1.97 0.12 0.00 0.66 0.00 0.00 46.19 44.99 2a24 s LEU 9 CO 0.19 0.11 0.19 -0.44 -1.89 0.00 0.00 176.35 174.51 2a24 s SER 10 N 0.78 4.75 -0.55 3.68 0.01 0.28 -2.46 113.70 120.19 2a24 s SER 10 Ca 0.04 -2.52 -0.27 0.00 1.31 0.00 0.00 55.95 54.51 2a24 s SER 10 Cb -0.13 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 2a24 s SER 10 CO 0.02 -0.35 1.89 -0.60 0.41 0.00 0.00 173.24 174.61 2a24 s ARG 11 N 0.41 2.71 -0.96 12.44 3.52 -0.71 -1.00 118.95 135.36 2a24 s ARG 11 Ca 0.13 0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 56.53 2a24 s ARG 11 Cb -0.22 -4.37 0.27 0.00 -1.56 0.00 0.00 34.95 29.07 2a24 s ARG 11 CO -0.04 -2.62 1.08 0.72 -0.81 0.00 0.00 175.30 173.63 2a24 n HIS 12 N 12.55 3.68 -3.14 5.12 8.25 -0.85 -1.24 115.22 139.60 2a24 n HIS 12 Ca 0.22 -3.57 -0.23 0.00 -0.26 0.00 0.00 57.72 53.88 2a24 n HIS 12 Cb 0.51 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.43 2a24 n HIS 12 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2a24 s SER 13 N -0.80 5.97 1.61 0.41 0.01 -1.19 -4.18 113.70 115.53 2a24 s SER 13 Ca 0.31 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2a24 s SER 13 Cb -0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2a24 s SER 13 CO -0.02 -0.56 0.00 0.23 0.41 0.00 0.00 173.24 173.29 2a24 n MET 14 N -1.96 0.00 -0.45 12.44 2.81 -1.26 -1.94 117.12 126.76 2a24 n MET 14 Ca -0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 2a24 n MET 14 Cb 0.57 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.18 2a24 n MET 14 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2a24 n ASP 15 N 10.56 3.18 -1.68 7.83 5.75 -1.26 -4.80 116.55 136.13 2a24 n ASP 15 Ca 0.00 -2.56 -0.17 0.00 -0.01 0.00 0.00 54.79 52.05 2a24 n ASP 15 Cb 0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.44 2a24 n ASP 15 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2a24 n MET 16 N -0.03 -1.29 0.00 0.11 1.56 -0.82 -4.82 117.12 111.83 2a24 n MET 16 Ca 0.20 0.95 0.00 0.00 -0.27 0.00 0.00 57.70 58.58 2a24 n MET 16 Cb 0.87 -5.31 0.00 0.00 2.15 0.00 0.00 33.22 30.93 2a24 n MET 16 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 2a24 n LYS 17 N -2.58 2.41 -3.84 2.12 2.85 -1.14 -4.69 118.16 113.28 2a24 n LYS 17 Ca -0.19 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.71 2a24 n LYS 17 Cb 0.61 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.87 2a24 n LYS 17 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2a24 s PHE 18 N 0.19 3.37 -0.46 5.58 0.08 -1.26 -3.61 117.98 121.87 2a24 s PHE 18 Ca 0.00 -1.99 0.22 0.00 0.12 0.00 0.00 56.93 55.29 2a24 s PHE 18 Cb 0.00 -2.50 -0.12 0.00 -0.57 0.00 0.00 43.02 39.84 2a24 s PHE 18 CO 0.00 -0.85 0.84 0.25 -0.10 0.00 0.00 175.22 175.37 2a24 n THR 19 N 4.64 0.14 -3.21 0.64 -2.24 -0.38 -3.38 114.28 110.49 2a24 n THR 19 Ca -0.09 -0.31 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 2a24 n THR 19 Cb 0.43 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2a24 s TYR 20 N -3.28 -1.03 0.02 4.78 5.04 -1.25 -5.02 117.35 116.60 2a24 s TYR 20 Ca 0.00 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 2a24 s TYR 20 Cb 0.14 0.41 -0.04 0.00 0.35 0.00 0.00 41.96 42.82 2a24 s TYR 20 CO 0.84 -0.56 0.09 0.00 -1.34 0.00 0.00 175.55 174.59 2a24 s ASP 22 N -1.92 5.69 0.23 0.00 -1.08 -1.03 -4.75 116.67 113.81 2a24 s ASP 22 Ca 0.25 2.17 0.26 0.00 -0.52 0.00 0.00 52.55 54.70 2a24 s ASP 22 Cb -0.12 -2.58 0.78 0.00 -1.46 0.00 0.00 42.92 39.54 2a24 s ASP 22 CO 0.17 -1.24 1.76 -2.24 0.52 0.00 0.00 175.17 174.14 2a24 h ASP 23 N 1.13 0.00 0.64 -0.34 2.03 -1.98 -3.03 116.42 114.87 2a24 h ASP 23 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2a24 h ASP 23 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2a24 h ASP 23 CO 0.57 0.00 -0.10 0.54 -1.03 0.00 0.00 179.24 179.22 2a24 n ARG 24 N -2.32 0.31 0.19 4.15 1.74 -1.26 -3.42 116.66 116.04 2a24 n ARG 24 Ca 0.05 -0.07 0.14 0.00 -0.77 0.00 0.00 57.85 57.21 2a24 n ARG 24 Cb 0.43 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.92 2a24 n ARG 24 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2a24 h ILE 25 N 0.16 0.00 -0.11 0.55 2.10 -1.83 -2.90 117.51 115.48 2a24 h ILE 25 Ca 0.00 -0.39 -0.10 0.00 1.08 0.00 0.00 64.86 65.45 2a24 h ILE 25 Cb 0.40 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2a24 h ILE 25 CO 0.00 0.00 -0.36 0.74 -1.08 0.00 0.00 178.15 177.45 2a24 h THR 26 N 0.00 1.29 -0.02 2.19 2.02 -1.56 0.16 112.91 116.98 2a24 h THR 26 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2a24 h THR 26 Cb 0.48 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2a24 h THR 26 CO 0.00 0.42 -0.04 -1.84 0.37 0.00 0.00 175.52 174.42 2a24 n GLU 27 N -4.07 1.85 -0.02 6.66 0.28 -1.10 -2.68 120.64 121.56 2a24 n GLU 27 Ca -0.01 -1.32 -0.04 0.00 -0.16 0.00 0.00 57.16 55.63 2a24 n GLU 27 Cb 0.44 -1.47 -0.01 0.00 1.43 0.00 0.00 31.44 31.83 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2a24 n LEU 28 N 0.58 1.02 0.07 -1.84 4.77 -0.99 -4.81 117.00 115.81 2a24 n LEU 28 Ca 0.16 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 2a24 n LEU 28 Cb 0.46 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2a24 n LEU 28 CO 0.17 -0.47 -0.55 0.40 -1.33 0.00 0.00 177.39 175.61 2a24 h ILE 29 N -0.39 0.92 0.00 -0.08 1.08 -0.93 -3.47 117.51 114.64 2a24 h ILE 29 Ca 0.00 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 2a24 h ILE 29 Cb 0.39 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2a24 h ILE 29 CO 0.00 0.86 0.00 0.61 -0.69 0.00 0.00 178.15 178.93 2a24 n GLY 30 N 1.87 0.67 3.92 5.37 0.00 -0.89 0.16 105.19 116.29 2a24 n GLY 30 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2a24 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 31 N -2.00 3.52 0.24 1.61 2.02 -1.26 -4.90 117.35 116.59 2a24 s TYR 31 Ca 0.00 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.85 2a24 s TYR 31 Cb 0.00 -1.77 -0.08 0.00 -0.40 0.00 0.00 41.96 39.72 2a24 s TYR 31 CO 0.00 0.60 0.59 -1.58 -1.57 0.00 0.00 175.55 173.58 2a24 s HIS 32 N -1.48 3.43 0.21 2.71 2.46 -1.26 -3.15 115.29 118.21 2a24 s HIS 32 Ca 0.34 0.95 -0.14 0.00 0.47 0.00 0.00 55.06 56.68 2a24 s HIS 32 Cb -0.13 -2.32 0.24 0.00 -0.13 0.00 0.00 32.58 30.24 2a24 s HIS 32 CO 0.26 0.24 1.61 -1.35 -2.47 0.00 0.00 174.74 173.04 2a24 h PRO 33 N 2.55 -0.03 0.00 2.88 0.11 -1.86 0.15 132.00 135.80 2a24 h PRO 33 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2a24 h PRO 33 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2a24 h PRO 33 CO 0.68 -0.02 0.00 1.05 -0.21 0.00 0.00 178.00 179.50 2a24 h GLU 34 N -0.03 0.00 -0.00 1.05 9.09 -1.92 -1.53 114.58 121.24 2a24 h GLU 34 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 2a24 h GLU 34 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 2a24 h GLU 34 CO -0.70 0.00 -0.44 0.39 0.05 0.00 0.00 179.01 178.32 2a24 n GLU 35 N -2.39 0.19 -0.07 1.06 -0.58 0.48 -4.05 120.64 115.28 2a24 n GLU 35 Ca 0.01 -0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 56.57 2a24 n GLU 35 Cb 0.20 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.47 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2a24 n LEU 36 N -1.31 0.36 -4.75 -4.62 4.77 -0.63 -4.90 117.00 105.92 2a24 n LEU 36 Ca 0.07 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 2a24 n LEU 36 Cb 0.34 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 2a24 n LEU 36 CO 0.33 0.40 0.73 -1.48 -1.33 0.00 0.00 177.39 176.05 2a24 s LEU 37 N -5.16 4.58 0.00 2.23 0.05 -0.89 -3.36 118.68 116.13 2a24 s LEU 37 Ca -0.09 2.12 0.00 0.00 0.05 0.00 0.00 54.13 56.21 2a24 s LEU 37 Cb 0.04 -3.62 0.00 0.00 -2.05 0.00 0.00 46.19 40.57 2a24 s LEU 37 CO 0.56 -0.03 0.00 0.61 -0.55 0.00 0.00 176.35 176.94 2a24 n GLY 38 N 1.40 2.12 3.78 -3.48 0.00 -1.22 -4.95 105.19 102.85 2a24 n GLY 38 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2a24 n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a24 s ARG 39 N -0.98 2.33 -0.06 1.61 1.70 -1.21 -5.09 118.95 117.25 2a24 s ARG 39 Ca 0.00 -1.73 -0.30 0.00 -0.47 0.00 0.00 55.73 53.24 2a24 s ARG 39 Cb 0.00 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.24 2a24 s ARG 39 CO 0.00 -0.13 0.99 0.45 -1.08 0.00 0.00 175.30 175.54 2a24 s SER 40 N -3.97 7.30 0.41 -2.89 0.15 -1.26 -4.33 113.70 109.10 2a24 s SER 40 Ca 0.43 1.58 0.22 0.00 0.70 0.00 0.00 55.95 58.89 2a24 s SER 40 Cb 0.01 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.35 2a24 s SER 40 CO 0.24 -0.37 1.68 0.00 1.20 0.00 0.00 173.24 176.00 2a24 h ALA 41 N 6.97 0.91 0.00 5.45 0.00 -1.87 -2.99 119.26 127.73 2a24 h ALA 41 Ca -0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2a24 h ALA 41 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2a24 h ALA 41 CO 0.81 0.29 0.00 0.66 0.00 0.00 0.00 179.25 181.01 2a24 n TYR 42 N -3.24 0.00 0.96 0.00 4.01 -1.26 -1.00 117.16 116.62 2a24 n TYR 42 Ca 0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.89 2a24 n TYR 42 Cb 0.53 -0.24 0.58 0.00 -0.31 0.00 0.00 39.34 39.90 2a24 n TYR 42 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2a24 n GLU 43 N -1.24 0.03 -0.26 -0.72 -0.58 -1.13 -3.75 120.64 112.99 2a24 n GLU 43 Ca 0.09 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2a24 n GLU 43 Cb 0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 2a24 n GLU 43 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2a24 n PHE 44 N -1.58 0.00 -2.48 -0.32 1.16 -0.93 -5.02 117.46 108.29 2a24 n PHE 44 Ca 0.07 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.25 2a24 n PHE 44 Cb 0.35 0.07 -0.01 0.00 -1.61 0.00 0.00 39.48 38.28 2a24 n PHE 44 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2a24 s TYR 45 N 0.00 2.59 0.03 2.97 6.14 -0.17 -4.47 117.35 124.44 2a24 s TYR 45 Ca 0.00 -1.15 0.00 0.00 0.64 0.00 0.00 57.07 56.56 2a24 s TYR 45 Cb 0.00 -4.60 0.00 0.00 0.42 0.00 0.00 41.96 37.78 2a24 s TYR 45 CO 0.00 -1.71 0.00 0.72 0.64 0.00 0.00 175.55 175.20 2a24 n HIS 46 N 9.63 -1.72 0.02 4.97 8.25 -1.26 -4.14 115.22 130.97 2a24 n HIS 46 Ca 0.47 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 2a24 n HIS 46 Cb 0.46 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 n ALA 47 N -0.34 3.00 0.13 -1.41 0.00 -1.26 -4.76 120.51 115.87 2a24 n ALA 47 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2a24 n ALA 47 Cb 0.06 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 2a24 n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2a24 n LEU 48 N -2.85 0.26 -1.12 0.00 -0.00 -1.26 -4.05 117.00 107.98 2a24 n LEU 48 Ca 0.00 0.01 0.05 0.00 -0.00 0.00 0.00 56.01 56.07 2a24 n LEU 48 Cb 0.00 -0.02 0.22 0.00 -0.00 0.00 0.00 43.42 43.62 2a24 n LEU 48 CO 0.00 -0.01 0.62 0.47 -0.00 0.00 0.00 177.39 178.47 2a24 n ASP 49 N -2.25 3.22 -0.08 1.45 9.92 -1.26 -4.18 116.55 123.38 2a24 n ASP 49 Ca -0.02 -2.36 -0.12 0.00 -0.53 0.00 0.00 54.79 51.76 2a24 n ASP 49 Cb 0.54 -0.50 -0.05 0.00 -0.64 0.00 0.00 41.12 40.47 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2a24 h SER 50 N 2.33 0.54 -0.84 -2.24 0.02 -1.72 -3.05 113.55 108.59 2a24 h SER 50 Ca 0.00 -0.42 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 2a24 h SER 50 Cb 1.09 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 2a24 h SER 50 CO 0.19 0.84 0.52 -0.08 -1.14 0.00 0.00 176.83 177.16 2a24 h GLU 51 N 0.23 0.94 -0.88 3.45 4.22 -1.89 -1.29 114.58 119.36 2a24 h GLU 51 Ca 0.05 -0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.50 2a24 h GLU 51 Cb 0.64 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2a24 h GLU 51 CO 0.04 0.62 0.58 -0.91 -2.18 0.00 0.00 179.01 177.16 2a24 h ASN 52 N 0.97 0.88 -0.19 1.04 4.21 -1.82 -0.24 115.58 120.43 2a24 h ASN 52 Ca 0.36 0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.77 2a24 h ASN 52 Cb 0.14 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 2a24 h ASN 52 CO -0.16 0.57 -0.31 -0.03 -1.29 0.00 0.00 177.43 176.20 2a24 h MET 53 N 1.00 0.55 -0.85 0.81 4.05 -1.16 -1.44 114.93 117.88 2a24 h MET 53 Ca 0.38 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2a24 h MET 53 Cb 0.20 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 2a24 h MET 53 CO -0.14 0.94 0.52 1.15 0.23 0.00 0.00 176.91 179.60 2a24 h THR 54 N 0.21 1.24 -0.19 -0.77 2.02 -0.77 -0.08 112.91 114.57 2a24 h THR 54 Ca 0.02 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2a24 h THR 54 Cb 0.89 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2a24 h THR 54 CO 0.07 0.25 -0.02 0.50 0.37 0.00 0.00 175.52 176.69 2a24 h LYS 55 N 1.18 0.34 -0.11 6.66 1.63 -0.98 -2.94 116.57 122.35 2a24 h LYS 55 Ca 0.31 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 2a24 h LYS 55 Cb -0.05 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2a24 h LYS 55 CO -0.06 0.57 -0.11 0.77 -3.45 0.00 0.00 179.45 177.17 2a24 h SER 56 N 0.08 0.15 -0.26 4.20 0.02 -0.88 -2.20 113.55 114.67 2a24 h SER 56 Ca 0.05 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2a24 h SER 56 Cb 0.42 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2a24 h SER 56 CO 0.01 0.28 0.15 -0.74 -1.14 0.00 0.00 176.83 175.40 2a24 h HIS 57 N 0.16 0.36 0.05 3.45 -0.00 -0.83 -0.25 115.15 118.09 2a24 h HIS 57 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2a24 h HIS 57 Cb 0.30 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2a24 h HIS 57 CO 0.00 0.26 -0.02 1.96 -0.00 0.00 0.00 177.93 180.13 2a24 h GLN 58 N 0.38 -0.07 -0.83 5.26 1.08 -1.37 -3.09 115.11 116.47 2a24 h GLN 58 Ca 0.10 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2a24 h GLN 58 Cb 0.01 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2a24 h GLN 58 CO -0.02 0.52 0.55 -0.97 -0.95 0.00 0.00 178.83 177.96 2a24 h ASN 59 N -0.73 0.95 -0.87 1.46 -0.73 -1.43 -2.27 115.58 111.97 2a24 h ASN 59 Ca -0.01 -0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.20 2a24 h ASN 59 Cb 0.62 -0.24 -0.06 0.00 0.27 0.00 0.00 38.32 38.91 2a24 h ASN 59 CO 0.01 0.69 0.54 0.25 -0.37 0.00 0.00 177.43 178.55 2a24 h LEU 60 N 1.12 0.85 -1.13 0.34 5.85 -1.09 0.36 115.31 121.62 2a24 h LEU 60 Ca 0.31 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 2a24 h LEU 60 Cb -0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2a24 h LEU 60 CO -0.07 0.54 -0.39 0.00 -0.34 0.00 0.00 178.44 178.18 2a24 h THR 62 N 0.07 1.24 -0.41 0.00 2.02 -1.18 -3.38 112.91 111.27 2a24 h THR 62 Ca 0.01 -2.20 -0.15 0.00 0.77 0.00 0.00 66.41 64.83 2a24 h THR 62 Cb 0.73 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2a24 h THR 62 CO 0.05 0.42 -0.35 0.11 0.37 0.00 0.00 175.52 176.13 2a24 h LYS 63 N -1.00 0.96 0.00 6.66 1.57 -0.36 -3.47 116.57 120.93 2a24 h LYS 63 Ca -0.19 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2a24 h LYS 63 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2a24 h LYS 63 CO -0.12 1.14 0.00 0.41 -0.57 0.00 0.00 179.45 180.32 2a24 n GLY 64 N 0.08 1.03 3.63 3.86 0.00 0.49 -4.97 105.19 109.31 2a24 n GLY 64 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2a24 n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a24 s GLN 65 N -0.66 0.57 -0.03 1.61 0.74 -1.25 0.24 119.66 120.89 2a24 s GLN 65 Ca 0.00 1.03 -0.03 0.00 0.05 0.00 0.00 55.36 56.41 2a24 s GLN 65 Cb 0.00 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.30 2a24 s GLN 65 CO 0.00 -0.13 0.08 0.54 -0.55 0.00 0.00 175.29 175.24 2a24 s VAL 66 N 1.66 0.02 -0.69 1.34 0.11 0.05 -4.90 120.40 117.98 2a24 s VAL 66 Ca -0.09 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.73 2a24 s VAL 66 Cb -0.05 -0.17 0.18 0.00 -1.53 0.00 0.00 36.38 34.81 2a24 s VAL 66 CO -0.18 -0.07 0.58 -0.69 -3.33 0.00 0.00 175.10 171.42 2a24 s VAL 67 N -0.18 4.80 0.08 2.04 1.01 -1.26 -1.08 120.40 125.81 2a24 s VAL 67 Ca -0.02 -2.44 -0.31 0.00 0.00 0.00 0.00 61.98 59.20 2a24 s VAL 67 Cb -0.02 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2a24 s VAL 67 CO 0.00 -0.93 1.52 -0.44 0.00 0.00 0.00 175.10 175.25 2a24 s SER 68 N 1.90 6.71 0.70 3.32 0.01 0.11 -4.91 113.70 121.54 2a24 s SER 68 Ca 0.15 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.63 2a24 s SER 68 Cb -0.17 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.51 2a24 s SER 68 CO -0.05 -0.78 1.23 -0.83 0.41 0.00 0.00 173.24 173.21 2a24 s GLY 69 N 1.77 2.51 -0.17 3.44 0.00 -1.26 -1.72 107.32 111.90 2a24 s GLY 69 Ca 0.69 0.97 -0.38 0.00 0.00 0.00 0.00 44.72 46.00 2a24 s GLY 69 CO 0.30 1.38 1.74 -1.06 0.00 0.00 0.00 173.10 175.46 2a24 n GLN 70 N -2.41 1.50 -4.42 2.90 6.02 -1.26 -4.64 117.38 115.06 2a24 n GLN 70 Ca 0.14 0.55 -0.23 0.00 -0.01 0.00 0.00 57.00 57.45 2a24 n GLN 70 Cb 0.50 -2.28 -0.08 0.00 1.02 0.00 0.00 30.24 29.40 2a24 n GLN 70 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2a24 s TYR 71 N 3.27 1.76 -0.13 1.08 -0.85 -0.61 -4.90 117.35 116.96 2a24 s TYR 71 Ca 0.94 -1.46 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 2a24 s TYR 71 Cb -0.93 -0.96 -0.04 0.00 0.38 0.00 0.00 41.96 40.41 2a24 s TYR 71 CO 0.58 -0.55 0.03 -0.98 -1.52 0.00 0.00 175.55 173.11 2a24 s ARG 72 N -3.60 3.48 -0.07 -3.49 1.70 -1.25 -0.90 118.95 114.82 2a24 s ARG 72 Ca 0.30 -0.37 0.04 0.00 -0.47 0.00 0.00 55.73 55.23 2a24 s ARG 72 Cb 0.02 -3.00 -0.02 0.00 -0.57 0.00 0.00 34.95 31.39 2a24 s ARG 72 CO 0.20 0.50 -0.20 1.41 -1.08 0.00 0.00 175.30 176.13 2a24 s MET 73 N -0.29 2.73 0.16 3.89 1.75 0.10 -4.71 119.30 122.93 2a24 s MET 73 Ca 0.07 -0.80 -0.30 0.00 -1.25 0.00 0.00 55.69 53.41 2a24 s MET 73 Cb -0.12 -2.32 -0.07 0.00 2.84 0.00 0.00 34.83 35.15 2a24 s MET 73 CO 0.02 0.40 1.17 -1.17 -0.65 0.00 0.00 175.02 174.79 2a24 s LEU 74 N -0.19 4.44 0.63 4.11 2.96 -1.26 -0.34 118.68 129.04 2a24 s LEU 74 Ca -0.02 2.15 0.02 0.00 -0.22 0.00 0.00 54.13 56.06 2a24 s LEU 74 Cb -0.13 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.04 2a24 s LEU 74 CO 0.03 -0.35 0.88 0.00 -1.32 0.00 0.00 176.35 175.59 2a24 s ALA 75 N 0.11 3.93 -0.02 5.97 0.00 -0.19 -4.92 121.76 126.65 2a24 s ALA 75 Ca 0.53 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 2a24 s ALA 75 Cb -0.31 -1.95 -0.16 0.00 0.00 0.00 0.00 23.12 20.70 2a24 s ALA 75 CO 0.35 -1.09 1.05 -0.22 0.00 0.00 0.00 175.76 175.85 2a24 h LYS 76 N -0.19 -0.33 0.00 0.00 3.64 -0.63 -3.19 116.57 115.88 2a24 h LYS 76 Ca -0.38 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2a24 h LYS 76 Cb 1.28 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2a24 h LYS 76 CO 0.45 0.03 -0.13 1.12 -2.27 0.00 0.00 179.45 178.64 2a24 h HIS 77 N -0.82 0.00 0.00 1.91 2.07 -1.94 -3.49 115.15 112.88 2a24 h HIS 77 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2a24 h HIS 77 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2a24 h HIS 77 CO 0.05 0.13 0.00 0.41 -3.07 0.00 0.00 177.93 175.45 2a24 n GLY 78 N 0.05 2.43 0.00 6.13 0.00 -1.21 -5.17 105.19 107.43 2a24 n GLY 78 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2a24 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a24 n GLY 79 N -1.59 -1.22 3.06 -0.02 0.00 -1.26 -4.23 105.19 99.93 2a24 n GLY 79 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 2a24 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a24 s TYR 80 N -2.92 2.23 0.21 1.61 1.51 0.39 -1.02 117.35 119.35 2a24 s TYR 80 Ca 0.00 -1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 54.72 2a24 s TYR 80 Cb 0.00 -1.60 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 2a24 s TYR 80 CO 0.00 -0.61 0.65 0.14 -1.11 0.00 0.00 175.55 174.62 2a24 s VAL 81 N 1.20 4.72 -0.30 0.71 -7.23 0.54 -0.28 120.40 119.77 2a24 s VAL 81 Ca -0.01 1.00 -0.13 0.00 -1.81 0.00 0.00 61.98 61.03 2a24 s VAL 81 Cb -0.14 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 2a24 s VAL 81 CO -0.07 0.13 0.27 0.26 -0.31 0.00 0.00 175.10 175.39 2a24 s TRP 82 N -1.60 3.23 -0.06 2.82 0.52 -0.10 0.03 118.94 123.78 2a24 s TRP 82 Ca 0.43 0.09 -0.22 0.00 0.02 0.00 0.00 56.10 56.42 2a24 s TRP 82 Cb -0.15 -2.49 0.05 0.00 -1.15 0.00 0.00 33.47 29.73 2a24 s TRP 82 CO 0.20 -0.26 0.51 -0.48 0.02 0.00 0.00 176.95 176.93 2a24 s LEU 83 N 1.87 0.06 0.00 2.99 0.05 -0.08 -0.26 118.68 123.31 2a24 s LEU 83 Ca 0.09 0.52 0.02 0.00 0.05 0.00 0.00 54.13 54.82 2a24 s LEU 83 Cb -0.16 1.91 0.13 0.00 -2.05 0.00 0.00 46.19 46.01 2a24 s LEU 83 CO 0.11 -0.47 0.92 -1.84 -0.55 0.00 0.00 176.35 174.52 2a24 n GLU 84 N 1.37 0.09 -3.68 1.48 0.28 -0.90 -1.57 120.64 117.70 2a24 n GLU 84 Ca -0.19 -2.76 -0.13 0.00 -0.16 0.00 0.00 57.16 53.92 2a24 n GLU 84 Cb 0.56 -0.54 -0.13 0.00 1.43 0.00 0.00 31.44 32.76 2a24 n GLU 84 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2a24 s THR 85 N -2.88 -0.33 -0.86 3.84 2.01 -0.70 -2.64 115.64 114.08 2a24 s THR 85 Ca 0.63 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.79 2a24 s THR 85 Cb -0.04 -0.43 0.22 0.00 0.01 0.00 0.00 72.50 72.26 2a24 s THR 85 CO 0.42 0.11 0.78 -1.58 -0.69 0.00 0.00 174.62 173.65 2a24 s GLN 86 N 2.17 3.48 -0.15 4.92 2.00 0.14 0.08 119.66 132.31 2a24 s GLN 86 Ca -0.01 -2.76 -0.24 0.00 -2.00 0.00 0.00 55.36 50.35 2a24 s GLN 86 Cb -0.12 -4.25 -0.02 0.00 0.80 0.00 0.00 33.01 29.42 2a24 s GLN 86 CO -0.09 -1.25 0.77 0.20 -0.50 0.00 0.00 175.29 174.42 2a24 s GLY 87 N 1.34 2.22 -0.10 2.59 0.00 -0.24 -0.78 107.32 112.36 2a24 s GLY 87 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2a24 s GLY 87 CO -0.08 1.50 -0.10 -1.59 0.00 0.00 0.00 173.10 172.83 2a24 s THR 88 N 1.79 1.13 -0.69 0.90 2.01 0.23 -0.77 115.64 120.25 2a24 s THR 88 Ca 0.37 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.73 2a24 s THR 88 Cb -0.17 -1.10 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2a24 s THR 88 CO 0.14 0.38 1.12 -0.69 -0.69 0.00 0.00 174.62 174.87 2a24 s VAL 89 N 1.37 4.04 -0.19 3.82 1.01 0.14 -2.13 120.40 128.45 2a24 s VAL 89 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 2a24 s VAL 89 Cb -0.14 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.41 2a24 s VAL 89 CO -0.05 -1.63 0.24 -0.63 0.00 0.00 0.00 175.10 173.03 2a24 s ILE 90 N 4.87 5.33 0.27 2.22 1.01 -1.21 -4.93 121.20 128.75 2a24 s ILE 90 Ca 0.29 0.40 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 2a24 s ILE 90 Cb -0.12 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 2a24 s ILE 90 CO 0.13 0.37 0.78 -0.31 0.00 0.00 0.00 174.94 175.92 2a24 s TYR 91 N 0.70 3.61 -0.39 3.97 1.51 -1.26 -1.81 117.35 123.68 2a24 s TYR 91 Ca 0.13 1.46 -0.13 0.00 -1.01 0.00 0.00 57.07 57.52 2a24 s TYR 91 Cb -0.13 -2.69 0.02 0.00 -0.11 0.00 0.00 41.96 39.05 2a24 s TYR 91 CO 0.03 0.26 0.26 1.21 -1.11 0.00 0.00 175.55 176.20 2a24 s ASN 92 N -1.74 5.96 0.28 2.29 2.47 0.80 -4.78 114.94 120.21 2a24 s ASN 92 Ca 0.47 -0.87 0.23 0.00 0.42 0.00 0.00 52.86 53.10 2a24 s ASN 92 Cb -0.16 -2.11 1.03 0.00 -1.45 0.00 0.00 41.25 38.57 2a24 s ASN 92 CO 0.21 -0.40 1.69 -0.81 -3.72 0.00 0.00 177.10 174.07 2a24 n PRO 93 N 5.10 0.18 0.16 0.43 -0.04 -1.26 0.18 135.00 139.74 2a24 n PRO 93 Ca -0.12 0.49 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 2a24 n PRO 93 Cb 0.47 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2a24 n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a24 h ARG 94 N 0.00 0.00 0.00 0.54 2.47 -1.93 -3.34 114.38 112.12 2a24 h ARG 94 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a24 h ARG 94 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2a24 h ARG 94 CO 0.00 0.38 0.00 -1.71 0.56 0.00 0.00 179.97 179.20 2a24 n ASN 95 N -3.20 0.40 -1.93 7.04 2.85 -0.91 -5.01 115.26 114.50 2a24 n ASN 95 Ca 0.02 -0.72 -0.18 0.00 -0.11 0.00 0.00 54.58 53.60 2a24 n ASN 95 Cb 0.68 0.32 -0.02 0.00 1.24 0.00 0.00 39.78 42.01 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2a24 n LEU 96 N -0.32 -1.74 -3.99 1.20 7.99 0.13 -4.99 117.00 115.28 2a24 n LEU 96 Ca 0.00 0.04 -0.08 0.00 -0.01 0.00 0.00 56.01 55.96 2a24 n LEU 96 Cb 0.04 -2.56 -0.09 0.00 -0.11 0.00 0.00 43.42 40.70 2a24 n LEU 96 CO 0.00 -0.27 -0.24 0.00 -1.51 0.00 0.00 177.39 175.36 2a24 s GLN 97 N -4.71 0.72 -1.18 3.23 -2.07 -1.11 -4.94 119.66 109.60 2a24 s GLN 97 Ca 0.00 -1.11 -0.22 0.00 -1.82 0.00 0.00 55.36 52.21 2a24 s GLN 97 Cb 0.00 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 2a24 s GLN 97 CO 0.00 -0.18 1.87 -1.25 -1.32 0.00 0.00 175.29 174.40 2a24 s PRO 98 N -3.90 2.92 0.00 9.60 0.04 -1.26 -0.14 135.00 142.26 2a24 s PRO 98 Ca 0.06 -1.29 0.19 0.00 0.04 0.00 0.00 61.00 60.00 2a24 s PRO 98 Cb 0.07 -5.31 -0.16 0.00 0.04 0.00 0.00 34.50 29.14 2a24 s PRO 98 CO -0.10 -3.42 0.84 0.94 0.04 0.00 0.00 177.00 175.29 2a24 n GLN 99 N 8.39 0.94 -1.18 4.56 7.27 -1.24 -4.39 117.38 131.73 2a24 n GLN 99 Ca 0.45 -0.19 -0.20 0.00 0.07 0.00 0.00 57.00 57.13 2a24 n GLN 99 Cb 0.47 -1.39 0.15 0.00 2.41 0.00 0.00 30.24 31.88 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a24 s ILE 101 N -3.70 3.65 0.11 0.00 1.01 -1.24 -3.30 121.20 117.74 2a24 s ILE 101 Ca 0.54 0.61 0.10 0.00 0.00 0.00 0.00 60.65 61.90 2a24 s ILE 101 Cb 0.46 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2a24 s ILE 101 CO 0.04 -0.75 -0.26 -0.04 0.00 0.00 0.00 174.94 173.94 2a24 s MET 102 N 5.63 1.38 -0.14 2.79 -1.94 -0.91 -2.00 119.30 124.12 2a24 s MET 102 Ca 0.67 -1.28 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2a24 s MET 102 Cb -0.16 -1.80 0.03 0.00 2.01 0.00 0.00 34.83 34.91 2a24 s MET 102 CO 0.30 0.43 -0.10 0.00 -0.01 0.00 0.00 175.02 175.64 2a24 s VAL 104 N 1.61 4.75 -0.32 0.00 1.01 0.04 -0.55 120.40 126.94 2a24 s VAL 104 Ca 0.04 1.93 -0.08 0.00 0.00 0.00 0.00 61.98 63.87 2a24 s VAL 104 Cb -0.13 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.00 2a24 s VAL 104 CO -0.09 -0.09 0.12 0.20 0.00 0.00 0.00 175.10 175.24 2a24 s ASN 105 N 1.18 5.35 -0.52 3.32 -0.87 -0.10 0.28 114.94 123.58 2a24 s ASN 105 Ca 0.43 -0.82 -0.20 0.00 -1.57 0.00 0.00 52.86 50.70 2a24 s ASN 105 Cb -0.16 -1.93 0.06 0.00 -0.02 0.00 0.00 41.25 39.20 2a24 s ASN 105 CO 0.10 -0.26 0.71 -0.31 -2.57 0.00 0.00 177.10 174.78 2a24 s TYR 106 N 1.51 2.98 -0.11 2.20 1.51 -1.08 -1.87 117.35 122.49 2a24 s TYR 106 Ca 0.02 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 2a24 s TYR 106 Cb -0.18 -3.70 -0.02 0.00 -0.11 0.00 0.00 41.96 37.95 2a24 s TYR 106 CO 0.04 -1.13 1.25 0.08 -1.11 0.00 0.00 175.55 174.68 2a24 s VAL 107 N 2.97 4.22 -0.14 0.71 1.01 -0.63 -2.13 120.40 126.40 2a24 s VAL 107 Ca 0.19 1.52 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 2a24 s VAL 107 Cb -0.18 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2a24 s VAL 107 CO 0.13 -0.07 -0.22 0.18 0.00 0.00 0.00 175.10 175.12 2a24 n LEU 108 N 5.97 1.36 -4.44 3.92 4.77 0.64 -4.04 117.00 125.18 2a24 n LEU 108 Ca 0.13 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 2a24 n LEU 108 Cb 0.45 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2a24 n LEU 108 CO 0.56 0.10 -0.50 -0.44 -1.33 0.00 0.00 177.39 175.78 2a24 s SER 109 N -6.37 3.72 0.32 -1.43 0.01 -0.81 -4.99 113.70 104.15 2a24 s SER 109 Ca -0.22 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2a24 s SER 109 Cb 0.07 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2a24 s SER 109 CO 0.30 0.27 0.00 -1.84 0.41 0.00 0.00 173.24 172.37 2a24 n GLU 110 N 1.68 0.50 -1.61 12.44 0.28 -1.26 -0.92 120.64 131.75 2a24 n GLU 110 Ca -0.16 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.40 2a24 n GLU 110 Cb 0.52 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.36 2a24 n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2a24 n ILE 111 N -0.91 0.45 0.69 3.84 -0.00 -1.26 -3.92 119.36 118.25 2a24 n ILE 111 Ca 0.00 -0.34 0.08 0.00 -0.00 0.00 0.00 62.75 62.49 2a24 n ILE 111 Cb 0.00 -2.39 0.07 0.00 -0.00 0.00 0.00 39.64 37.32 2a24 n ILE 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76