#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 1.40 -0.03 -0.18 2.01 -1.26 -3.43 115.64 114.15 2a24 s THR 7 Ca 0.00 -1.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.69 2a24 s THR 7 Cb 0.00 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.26 2a24 s THR 7 CO 0.00 0.01 0.18 0.72 -0.69 0.00 0.00 174.62 174.84 2a24 s PHE 8 N -0.98 -0.08 -0.11 4.92 -0.71 -1.20 -4.80 117.98 115.02 2a24 s PHE 8 Ca 0.04 0.16 -0.16 0.00 -1.04 0.00 0.00 56.93 55.93 2a24 s PHE 8 Cb -0.09 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 2a24 s PHE 8 CO 0.02 -0.24 0.41 -1.17 -1.34 0.00 0.00 175.22 172.91 2a24 s LEU 9 N -0.84 4.31 -0.27 -1.99 1.98 -1.26 -2.70 118.68 117.91 2a24 s LEU 9 Ca -0.09 0.76 0.02 0.00 -2.89 0.00 0.00 54.13 51.92 2a24 s LEU 9 Cb -0.05 -2.58 0.08 0.00 0.66 0.00 0.00 46.19 44.29 2a24 s LEU 9 CO 0.01 0.10 -0.01 -0.44 -1.89 0.00 0.00 176.35 174.12 2a24 s SER 10 N 0.22 4.17 -0.18 3.68 0.01 -0.44 -2.98 113.70 118.19 2a24 s SER 10 Ca 0.23 -1.51 -0.21 0.00 1.31 0.00 0.00 55.95 55.77 2a24 s SER 10 Cb -0.15 -1.29 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2a24 s SER 10 CO 0.09 -0.29 0.64 -0.60 0.41 0.00 0.00 173.24 173.49 2a24 s ARG 11 N 1.27 4.25 0.33 12.44 3.00 -0.50 -0.71 118.95 139.03 2a24 s ARG 11 Ca 0.00 0.65 0.09 0.00 -1.00 0.00 0.00 55.73 55.47 2a24 s ARG 11 Cb -0.19 -3.55 -0.05 0.00 0.00 0.00 0.00 34.95 31.16 2a24 s ARG 11 CO -0.09 -0.18 0.01 -1.01 0.00 0.00 0.00 175.30 174.02 2a24 s HIS 12 N 1.72 2.56 -0.13 5.12 3.76 0.82 -1.93 115.29 127.21 2a24 s HIS 12 Ca 0.30 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.50 2a24 s HIS 12 Cb -0.16 -1.46 0.07 0.00 1.11 0.00 0.00 32.58 32.14 2a24 s HIS 12 CO 0.11 0.49 0.71 -1.54 -0.85 0.00 0.00 174.74 173.66 2a24 s SER 13 N -3.71 -0.67 0.43 1.40 1.04 -1.19 -1.87 113.70 109.13 2a24 s SER 13 Ca 0.35 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.71 2a24 s SER 13 Cb -0.01 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.94 2a24 s SER 13 CO 0.19 -0.48 0.00 0.80 0.98 0.00 0.00 173.24 174.74 2a24 n MET 14 N 1.49 0.00 0.00 4.02 1.56 -1.26 -1.00 117.12 121.93 2a24 n MET 14 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.26 2a24 n MET 14 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 2a24 n MET 14 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2a24 n ASP 15 N 4.96 0.66 -1.81 6.12 5.75 -1.26 -4.79 116.55 126.18 2a24 n ASP 15 Ca 0.00 -1.94 -0.16 0.00 -0.01 0.00 0.00 54.79 52.68 2a24 n ASP 15 Cb 0.00 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 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 -0.15 -1.35 -1.82 0.11 0.00 -0.17 -4.72 117.12 109.02 2a24 n MET 16 Ca 0.00 0.76 -0.30 0.00 -0.00 0.00 0.00 57.70 58.16 2a24 n MET 16 Cb 0.16 -5.13 0.18 0.00 0.00 0.00 0.00 33.22 28.43 2a24 n MET 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2a24 s LYS 17 N -4.81 0.65 -0.47 2.12 -2.85 -1.12 -4.19 119.74 109.08 2a24 s LYS 17 Ca 0.01 -0.27 -0.20 0.00 -1.00 0.00 0.00 55.97 54.51 2a24 s LYS 17 Cb -0.00 -1.83 0.04 0.00 -2.06 0.00 0.00 37.83 33.97 2a24 s LYS 17 CO 0.01 -2.43 0.63 -0.06 0.10 0.00 0.00 175.35 173.61 2a24 s PHE 18 N -3.73 3.05 -0.89 1.78 0.08 -0.80 -3.20 117.98 114.28 2a24 s PHE 18 Ca 0.72 -0.26 0.09 0.00 0.12 0.00 0.00 56.93 57.60 2a24 s PHE 18 Cb -0.06 -3.40 0.20 0.00 -0.57 0.00 0.00 43.02 39.19 2a24 s PHE 18 CO 0.53 -0.94 1.08 0.25 -0.10 0.00 0.00 175.22 176.04 2a24 n THR 19 N 5.74 0.69 -3.36 0.64 -2.24 -0.81 -0.71 114.28 114.24 2a24 n THR 19 Ca -0.04 -0.85 0.02 0.00 -2.27 0.00 0.00 64.05 60.92 2a24 n THR 19 Cb 0.47 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.93 -0.44 0.37 4.78 5.04 -1.22 -4.93 117.35 120.03 2a24 s TYR 20 Ca 0.17 0.77 0.08 0.00 -2.44 0.00 0.00 57.07 55.65 2a24 s TYR 20 Cb 0.09 0.26 -0.07 0.00 0.35 0.00 0.00 41.96 42.60 2a24 s TYR 20 CO 0.13 -0.22 -0.03 0.00 -1.34 0.00 0.00 175.55 174.09 2a24 s ASP 22 N -3.67 5.16 0.22 0.00 -1.08 -1.16 -4.96 116.67 111.19 2a24 s ASP 22 Ca 0.34 -0.77 0.22 0.00 -0.52 0.00 0.00 52.55 51.82 2a24 s ASP 22 Cb 0.05 -0.17 0.03 0.00 -1.46 0.00 0.00 42.92 41.37 2a24 s ASP 22 CO 0.18 -0.96 1.10 0.44 0.52 0.00 0.00 175.17 176.45 2a24 h ASP 23 N 0.62 0.00 1.24 -0.34 3.32 -1.95 -3.34 116.42 115.97 2a24 h ASP 23 Ca -0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 2a24 h ASP 23 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2a24 h ASP 23 CO 0.49 0.05 -0.35 0.03 -1.72 0.00 0.00 179.24 177.74 2a24 h ARG 24 N 0.00 0.00 0.00 3.56 -0.00 -1.96 -3.17 114.38 112.81 2a24 h ARG 24 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 2a24 h ARG 24 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.02 2a24 h ARG 24 CO 0.00 0.35 -0.09 0.97 0.00 0.00 0.00 179.97 181.20 2a24 h ILE 25 N 0.00 0.49 0.00 2.04 2.10 -1.86 -1.02 117.51 119.26 2a24 h ILE 25 Ca -0.00 -0.44 -0.05 0.00 1.08 0.00 0.00 64.86 65.45 2a24 h ILE 25 Cb 1.06 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 2a24 h ILE 25 CO 0.05 0.09 -0.22 0.74 -1.08 0.00 0.00 178.15 177.72 2a24 h THR 26 N 0.00 0.82 0.01 2.19 2.02 -1.55 0.62 112.91 117.02 2a24 h THR 26 Ca -0.00 -0.88 -0.41 0.00 0.77 0.00 0.00 66.41 65.89 2a24 h THR 26 Cb 0.29 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2a24 h THR 26 CO 0.01 0.22 -2.44 -0.62 0.37 0.00 0.00 175.52 173.06 2a24 n GLU 27 N -3.79 0.63 -0.16 6.66 1.02 -0.74 -3.10 120.64 121.17 2a24 n GLU 27 Ca -0.02 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2a24 n GLU 27 Cb 0.32 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2a24 n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2a24 h LEU 28 N -0.43 0.99 0.00 -4.62 3.38 -1.24 -3.38 115.31 110.01 2a24 h LEU 28 Ca -0.62 -0.40 -0.22 0.00 0.09 0.00 0.00 57.88 56.74 2a24 h LEU 28 Cb 1.77 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2a24 h LEU 28 CO -0.22 1.17 -1.76 -0.38 0.09 0.00 0.00 178.44 177.34 2a24 n ILE 29 N -4.14 0.75 0.00 1.22 2.08 0.02 -4.94 119.36 114.35 2a24 n ILE 29 Ca -0.00 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.08 2a24 n ILE 29 Cb 0.45 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.96 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a24 n GLY 30 N 2.45 1.48 3.61 7.39 0.00 -0.09 -0.38 105.19 119.65 2a24 n GLY 30 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 3.25 0.55 1.61 2.02 -1.23 -4.86 117.35 116.69 2a24 s TYR 31 Ca 0.00 0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.86 2a24 s TYR 31 Cb 0.00 -2.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 2a24 s TYR 31 CO 0.00 -0.19 1.06 -3.38 -1.57 0.00 0.00 175.55 171.47 2a24 s HIS 32 N 1.91 2.94 0.25 2.71 -3.43 -1.26 -3.36 115.29 115.06 2a24 s HIS 32 Ca 0.13 1.54 -0.13 0.00 -0.80 0.00 0.00 55.06 55.80 2a24 s HIS 32 Cb -0.16 -3.06 0.34 0.00 -1.43 0.00 0.00 32.58 28.27 2a24 s HIS 32 CO 0.10 -1.09 1.54 -2.30 -2.00 0.00 0.00 174.74 170.99 2a24 n PRO 33 N -1.60 -0.16 0.00 -0.38 -0.02 -1.26 0.33 135.00 131.91 2a24 n PRO 33 Ca 0.09 1.53 0.06 0.00 -2.02 0.00 0.00 63.50 63.17 2a24 n PRO 33 Cb 0.52 -2.28 0.32 0.00 -0.02 0.00 0.00 33.50 32.04 2a24 n PRO 33 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a24 n GLU 34 N -5.53 0.19 0.00 -0.52 -0.58 -1.26 -1.06 120.64 111.87 2a24 n GLU 34 Ca 0.13 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 57.14 2a24 n GLU 34 Cb 0.44 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.94 2a24 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2a24 n GLU 35 N -1.27 0.04 -0.01 3.49 4.07 0.15 -4.25 120.64 122.85 2a24 n GLU 35 Ca 0.06 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.15 2a24 n GLU 35 Cb 0.10 -1.51 -0.02 0.00 -0.06 0.00 0.00 31.44 29.94 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2a24 n LEU 36 N -1.56 0.00 -4.67 4.31 4.77 -0.57 -4.91 117.00 114.37 2a24 n LEU 36 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 2a24 n LEU 36 Cb 0.35 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2a24 n LEU 36 CO 0.38 0.07 1.56 0.18 -1.33 0.00 0.00 177.39 178.24 2a24 n LEU 37 N -2.07 4.01 0.00 2.23 4.77 -0.23 -1.37 117.00 124.34 2a24 n LEU 37 Ca -0.04 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2a24 n LEU 37 Cb 0.56 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2a24 n LEU 37 CO 0.06 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2a24 n GLY 38 N 4.46 0.72 3.47 -0.72 0.00 0.11 -4.96 105.19 108.27 2a24 n GLY 38 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 1.68 0.24 1.61 1.70 -0.47 -5.00 118.95 118.37 2a24 s ARG 39 Ca 0.00 -1.77 -0.30 0.00 -0.47 0.00 0.00 55.73 53.20 2a24 s ARG 39 Cb 0.00 -1.77 -0.09 0.00 -0.57 0.00 0.00 34.95 32.53 2a24 s ARG 39 CO 0.00 0.33 1.05 -1.12 -1.08 0.00 0.00 175.30 174.48 2a24 s SER 40 N -3.50 7.38 0.42 -2.89 0.01 -1.26 -1.90 113.70 111.95 2a24 s SER 40 Ca 0.30 2.13 0.23 0.00 1.31 0.00 0.00 55.95 59.91 2a24 s SER 40 Cb -0.05 -2.62 0.31 0.00 0.21 0.00 0.00 66.02 63.87 2a24 s SER 40 CO 0.15 -0.08 1.56 0.00 0.41 0.00 0.00 173.24 175.27 2a24 h ALA 41 N 4.29 0.95 0.00 1.44 0.00 -1.85 -3.17 119.26 120.92 2a24 h ALA 41 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2a24 h ALA 41 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2a24 h ALA 41 CO 0.69 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.60 2a24 n TYR 42 N -3.06 0.00 -0.18 0.00 4.01 -1.26 -2.40 117.16 114.27 2a24 n TYR 42 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 2a24 n TYR 42 Cb 0.53 -0.26 0.06 0.00 -0.31 0.00 0.00 39.34 39.37 2a24 n TYR 42 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2a24 h GLU 43 N 0.00 1.00 -0.57 -0.72 5.08 -1.96 -3.28 114.58 114.13 2a24 h GLU 43 Ca 0.00 -0.31 -0.34 0.00 -1.00 0.00 0.00 59.36 57.71 2a24 h GLU 43 Cb 0.14 -0.09 -0.41 0.00 0.50 0.00 0.00 28.75 28.89 2a24 h GLU 43 CO 0.00 0.99 -1.03 1.97 -1.00 0.00 0.00 179.01 179.94 2a24 n PHE 44 N -4.18 1.72 -1.35 4.33 1.16 -1.12 -4.95 117.46 113.07 2a24 n PHE 44 Ca 0.03 -2.21 -0.38 0.00 -1.87 0.00 0.00 57.45 53.02 2a24 n PHE 44 Cb 0.35 -0.27 -0.04 0.00 -1.61 0.00 0.00 39.48 37.92 2a24 n PHE 44 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2a24 n TYR 45 N -0.61 2.30 -1.83 2.97 4.01 -1.01 -4.46 117.16 118.53 2a24 n TYR 45 Ca 0.18 -2.98 0.10 0.00 -0.16 0.00 0.00 57.90 55.04 2a24 n TYR 45 Cb 0.85 -2.39 -0.03 0.00 -0.31 0.00 0.00 39.34 37.46 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2a24 n HIS 46 N 3.35 -2.80 0.00 -0.72 8.25 -1.26 -3.86 115.22 118.19 2a24 n HIS 46 Ca 0.75 0.95 -0.03 0.00 -0.26 0.00 0.00 57.72 59.14 2a24 n HIS 46 Cb 0.27 -1.72 -0.01 0.00 1.12 0.00 0.00 29.99 29.65 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 -1.45 2.73 0.92 -1.41 0.00 -1.26 -4.65 120.51 115.40 2a24 n ALA 47 Ca 0.01 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.41 2a24 n ALA 47 Cb 0.35 0.35 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.36 0.86 -1.60 0.00 -0.00 -1.26 -4.13 117.00 107.50 2a24 n LEU 48 Ca -0.05 -0.39 -0.12 0.00 -0.00 0.00 0.00 56.01 55.45 2a24 n LEU 48 Cb 0.36 -0.04 0.20 0.00 -0.00 0.00 0.00 43.42 43.94 2a24 n LEU 48 CO 0.01 0.21 0.93 0.47 -0.00 0.00 0.00 177.39 179.02 2a24 n ASP 49 N -1.57 3.05 -0.00 1.45 9.92 -1.26 -4.52 116.55 123.62 2a24 n ASP 49 Ca 0.04 -3.69 -0.20 0.00 -0.53 0.00 0.00 54.79 50.41 2a24 n ASP 49 Cb 0.35 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 39.97 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 1.06 0.32 -0.82 -2.24 0.02 -1.72 -3.30 113.55 106.87 2a24 h SER 50 Ca 0.38 -0.87 0.08 0.00 -0.84 0.00 0.00 61.79 60.54 2a24 h SER 50 Cb 2.15 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 64.54 2a24 h SER 50 CO 0.68 1.44 0.54 -0.33 -1.14 0.00 0.00 176.83 178.02 2a24 h GLU 51 N -0.50 0.81 -0.50 3.45 4.39 -1.89 0.14 114.58 120.49 2a24 h GLU 51 Ca -0.21 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2a24 h GLU 51 Cb 1.56 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2a24 h GLU 51 CO 0.05 0.54 0.27 -0.91 -1.16 0.00 0.00 179.01 177.80 2a24 h ASN 52 N 0.84 0.61 -0.21 1.42 4.21 -1.87 -2.07 115.58 118.50 2a24 h ASN 52 Ca 0.37 -0.04 -0.20 0.00 1.21 0.00 0.00 56.30 57.64 2a24 h ASN 52 Cb 0.34 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2a24 h ASN 52 CO -0.14 0.49 -0.63 0.24 -1.29 0.00 0.00 177.43 176.11 2a24 h MET 53 N 0.69 0.83 -0.49 0.81 2.86 -1.07 -1.60 114.93 116.96 2a24 h MET 53 Ca 0.18 -0.57 0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2a24 h MET 53 Cb 0.02 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2a24 h MET 53 CO -0.03 1.20 0.32 1.15 1.06 0.00 0.00 176.91 180.61 2a24 h THR 54 N 0.61 1.11 -0.23 2.22 2.02 -0.83 0.28 112.91 118.09 2a24 h THR 54 Ca -0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2a24 h THR 54 Cb 1.24 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2a24 h THR 54 CO 0.13 0.12 -0.02 0.11 0.37 0.00 0.00 175.52 176.23 2a24 h LYS 55 N 0.65 0.42 -0.68 6.66 1.79 -1.37 -1.49 116.57 122.54 2a24 h LYS 55 Ca 0.18 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2a24 h LYS 55 Cb -0.05 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 2a24 h LYS 55 CO -0.05 0.62 0.41 0.77 -1.08 0.00 0.00 179.45 180.12 2a24 h SER 56 N 0.17 0.82 0.14 0.86 0.02 -1.01 0.88 113.55 115.42 2a24 h SER 56 Ca 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2a24 h SER 56 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2a24 h SER 56 CO 0.02 0.63 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.53 2a24 h HIS 57 N 0.94 -0.17 -0.63 3.45 -0.00 -0.23 0.31 115.15 118.83 2a24 h HIS 57 Ca 0.25 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.64 2a24 h HIS 57 Cb -0.03 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 2a24 h HIS 57 CO 0.00 0.07 0.39 1.96 -0.00 0.00 0.00 177.93 180.35 2a24 h GLN 58 N -0.39 0.74 0.06 5.26 4.20 -0.89 -1.41 115.11 122.67 2a24 h GLN 58 Ca -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2a24 h GLN 58 Cb 0.32 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2a24 h GLN 58 CO 0.03 0.49 -0.03 -0.97 -0.67 0.00 0.00 178.83 177.68 2a24 h ASN 59 N 0.76 -0.07 -0.93 1.46 -1.24 -0.74 -3.20 115.58 111.63 2a24 h ASN 59 Ca 0.25 -0.28 0.06 0.00 0.71 0.00 0.00 56.30 57.04 2a24 h ASN 59 Cb 0.02 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.02 2a24 h ASN 59 CO -0.10 0.25 0.60 0.25 -1.29 0.00 0.00 177.43 177.14 2a24 h LEU 60 N -0.39 0.95 -1.33 0.34 5.85 -0.20 -1.71 115.31 118.83 2a24 h LEU 60 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 2a24 h LEU 60 Cb 0.34 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2a24 h LEU 60 CO 0.01 0.62 0.52 0.00 -0.34 0.00 0.00 178.44 179.25 2a24 n THR 62 N -4.50 1.42 0.00 0.00 -2.24 -0.78 -4.70 114.28 103.48 2a24 n THR 62 Ca 0.13 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2a24 n THR 62 Cb 0.30 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2a24 n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a24 n LYS 63 N 0.95 0.00 0.00 -0.78 4.76 -0.53 -5.09 118.16 117.47 2a24 n LYS 63 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2a24 n LYS 63 Cb 0.69 -0.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 2a24 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a24 n GLY 64 N 3.07 1.86 3.26 0.72 0.00 -0.73 -4.97 105.19 108.40 2a24 n GLY 64 Ca 0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 2.56 -0.28 1.61 0.74 -1.25 0.07 119.66 123.11 2a24 s GLN 65 Ca 0.00 -1.28 -0.17 0.00 0.05 0.00 0.00 55.36 53.96 2a24 s GLN 65 Cb 0.00 -3.50 0.08 0.00 1.10 0.00 0.00 33.01 30.69 2a24 s GLN 65 CO 0.00 -0.74 0.72 0.54 -0.55 0.00 0.00 175.29 175.26 2a24 s VAL 66 N 1.38 0.00 0.29 1.34 0.11 0.87 -4.97 120.40 119.42 2a24 s VAL 66 Ca -0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2a24 s VAL 66 Cb -0.20 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.55 2a24 s VAL 66 CO 0.02 0.00 0.98 -0.69 -3.33 0.00 0.00 175.10 172.08 2a24 s VAL 67 N 1.43 3.98 0.00 2.04 1.01 -1.26 -0.47 120.40 127.13 2a24 s VAL 67 Ca -0.08 1.81 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2a24 s VAL 67 Cb -0.05 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2a24 s VAL 67 CO -0.17 0.29 0.00 -1.20 0.00 0.00 0.00 175.10 174.03 2a24 n SER 68 N 0.93 1.12 -4.86 3.32 7.64 0.05 -4.90 113.62 116.92 2a24 n SER 68 Ca 0.00 -0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.45 2a24 n SER 68 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 2a24 n SER 68 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2a24 s GLY 69 N -0.65 1.37 0.18 0.23 0.00 -1.26 -4.64 107.32 102.54 2a24 s GLY 69 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.05 2a24 s GLY 69 CO 0.00 -1.40 1.13 -0.86 0.00 0.00 0.00 173.10 171.97 2a24 s GLN 70 N -3.86 4.56 0.44 2.90 -2.07 -1.26 -4.06 119.66 116.31 2a24 s GLN 70 Ca 0.33 1.77 0.03 0.00 -1.82 0.00 0.00 55.36 55.68 2a24 s GLN 70 Cb -0.08 -3.26 -0.02 0.00 -1.09 0.00 0.00 33.01 28.56 2a24 s GLN 70 CO 0.26 0.02 0.12 1.52 -1.32 0.00 0.00 175.29 175.89 2a24 s TYR 71 N -0.18 1.78 -0.73 9.60 -0.85 0.20 -4.84 117.35 122.34 2a24 s TYR 71 Ca 0.50 -1.27 -0.20 0.00 -0.52 0.00 0.00 57.07 55.58 2a24 s TYR 71 Cb -0.30 -1.23 0.10 0.00 0.38 0.00 0.00 41.96 40.91 2a24 s TYR 71 CO 0.36 -0.24 0.94 1.03 -1.52 0.00 0.00 175.55 176.11 2a24 s ARG 72 N -3.71 3.26 0.08 -3.49 0.52 -1.26 -0.66 118.95 113.68 2a24 s ARG 72 Ca 0.19 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 2a24 s ARG 72 Cb 0.01 -4.45 -0.05 0.00 0.52 0.00 0.00 34.95 30.98 2a24 s ARG 72 CO 0.12 -1.72 1.12 1.41 0.02 0.00 0.00 175.30 176.25 2a24 s MET 73 N 3.17 4.51 -0.26 3.54 -2.45 0.17 -4.70 119.30 123.28 2a24 s MET 73 Ca 0.22 1.67 -0.29 0.00 -1.25 0.00 0.00 55.69 56.04 2a24 s MET 73 Cb -0.15 -3.36 0.00 0.00 1.25 0.00 0.00 34.83 32.58 2a24 s MET 73 CO 0.03 -0.11 1.18 -1.17 1.05 0.00 0.00 175.02 175.99 2a24 s LEU 74 N 0.67 4.01 0.65 4.11 2.96 -1.26 -0.64 118.68 129.19 2a24 s LEU 74 Ca 0.55 1.32 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 2a24 s LEU 74 Cb -0.27 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 42.94 2a24 s LEU 74 CO 0.30 -0.87 0.92 0.00 -1.32 0.00 0.00 176.35 175.39 2a24 s ALA 75 N 3.73 3.49 0.41 5.97 0.00 0.16 -4.94 121.76 130.58 2a24 s ALA 75 Ca 0.51 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.39 2a24 s ALA 75 Cb -0.16 -2.34 0.85 0.00 0.00 0.00 0.00 23.12 21.47 2a24 s ALA 75 CO 0.16 -1.11 1.98 -0.22 0.00 0.00 0.00 175.76 176.56 2a24 h LYS 76 N -0.34 0.31 -0.47 0.00 3.64 -1.03 -1.41 116.57 117.26 2a24 h LYS 76 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2a24 h LYS 76 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2a24 h LYS 76 CO 0.55 0.34 0.00 -2.39 -2.27 0.00 0.00 179.45 175.68 2a24 n HIS 77 N -4.36 0.42 -1.07 1.91 1.44 -1.26 -4.84 115.22 107.46 2a24 n HIS 77 Ca 0.00 -0.17 -0.02 0.00 -2.01 0.00 0.00 57.72 55.51 2a24 n HIS 77 Cb 0.19 -0.09 -0.01 0.00 0.12 0.00 0.00 29.99 30.20 2a24 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a24 n GLY 78 N 0.59 0.58 3.93 -1.39 0.00 -0.53 -5.02 105.19 103.35 2a24 n GLY 78 Ca 0.08 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 2a24 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a24 s GLY 79 N -2.60 1.50 -0.30 -0.02 0.00 -1.25 -4.79 107.32 99.86 2a24 s GLY 79 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.00 2a24 s GLY 79 CO 0.00 -0.58 -0.03 -0.19 0.00 0.00 0.00 173.10 172.30 2a24 s TYR 80 N -2.66 3.48 -0.13 1.90 2.02 -1.22 0.38 117.35 121.12 2a24 s TYR 80 Ca 0.47 -2.59 -0.14 0.00 -0.37 0.00 0.00 57.07 54.45 2a24 s TYR 80 Cb -0.10 -2.38 -0.05 0.00 -0.40 0.00 0.00 41.96 39.04 2a24 s TYR 80 CO 0.42 -0.91 0.33 0.08 -1.57 0.00 0.00 175.55 173.90 2a24 s VAL 81 N 1.03 5.26 -0.55 0.71 1.01 0.19 0.61 120.40 128.65 2a24 s VAL 81 Ca -0.00 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 2a24 s VAL 81 Cb -0.20 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2a24 s VAL 81 CO -0.06 0.42 1.55 0.26 0.00 0.00 0.00 175.10 177.28 2a24 s TRP 82 N 0.16 2.08 -0.10 5.22 0.52 -1.05 0.45 118.94 126.22 2a24 s TRP 82 Ca 0.19 0.53 0.03 0.00 0.02 0.00 0.00 56.10 56.88 2a24 s TRP 82 Cb -0.14 -4.30 -0.01 0.00 -1.15 0.00 0.00 33.47 27.87 2a24 s TRP 82 CO 0.06 -2.17 -0.21 -0.51 0.02 0.00 0.00 176.95 174.14 2a24 s LEU 83 N 6.82 2.28 -0.31 2.99 1.02 0.16 -2.98 118.68 128.67 2a24 s LEU 83 Ca 0.58 -0.47 -0.11 0.00 0.02 0.00 0.00 54.13 54.15 2a24 s LEU 83 Cb -0.12 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 2a24 s LEU 83 CO 0.24 0.19 0.18 -0.70 0.02 0.00 0.00 176.35 176.29 2a24 s GLU 84 N 0.17 3.57 -0.15 1.70 2.12 0.56 -0.63 118.70 126.04 2a24 s GLU 84 Ca -0.12 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.50 2a24 s GLU 84 Cb -0.16 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 2a24 s GLU 84 CO 0.06 -0.35 0.29 0.99 -0.54 0.00 0.00 175.26 175.71 2a24 s THR 85 N 1.69 5.31 -0.34 -1.70 2.01 -1.26 0.28 115.64 121.63 2a24 s THR 85 Ca 0.06 0.53 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 2a24 s THR 85 Cb -0.17 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.75 2a24 s THR 85 CO 0.09 0.41 0.12 -1.58 -0.69 0.00 0.00 174.62 172.97 2a24 s GLN 86 N 0.33 2.75 0.05 4.92 0.74 0.15 -0.77 119.66 127.83 2a24 s GLN 86 Ca 0.16 -1.10 -0.31 0.00 0.05 0.00 0.00 55.36 54.17 2a24 s GLN 86 Cb -0.13 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 2a24 s GLN 86 CO 0.04 -0.63 1.22 0.20 -0.55 0.00 0.00 175.29 175.57 2a24 s GLY 87 N 1.45 2.31 -0.42 2.59 0.00 0.38 -1.21 107.32 112.42 2a24 s GLY 87 Ca -0.00 0.84 0.08 0.00 0.00 0.00 0.00 44.72 45.64 2a24 s GLY 87 CO 0.04 2.11 0.58 2.41 0.00 0.00 0.00 173.10 178.23 2a24 n THR 88 N 4.06 -0.26 -2.72 0.90 -1.04 0.13 -0.09 114.28 115.25 2a24 n THR 88 Ca 0.10 -4.23 -0.43 0.00 -2.04 0.00 0.00 64.05 57.45 2a24 n THR 88 Cb 0.46 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2a24 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2a24 s VAL 89 N -1.52 4.68 -0.12 12.58 1.01 0.11 -3.01 120.40 134.12 2a24 s VAL 89 Ca 0.36 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 63.96 2a24 s VAL 89 Cb 0.19 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2a24 s VAL 89 CO -0.10 -0.24 0.55 -0.63 0.00 0.00 0.00 175.10 174.69 2a24 s ILE 90 N 3.22 5.13 0.15 2.22 1.09 0.20 -4.42 121.20 128.79 2a24 s ILE 90 Ca 0.42 1.10 -0.20 0.00 -1.10 0.00 0.00 60.65 60.86 2a24 s ILE 90 Cb -0.14 -3.89 -0.08 0.00 -1.06 0.00 0.00 42.46 37.29 2a24 s ILE 90 CO 0.09 0.27 0.67 -0.31 -0.10 0.00 0.00 174.94 175.56 2a24 s TYR 91 N 0.90 3.76 0.06 3.97 1.51 -1.26 -2.71 117.35 123.58 2a24 s TYR 91 Ca 0.29 1.38 -0.31 0.00 -1.01 0.00 0.00 57.07 57.42 2a24 s TYR 91 Cb -0.16 -2.59 -0.08 0.00 -0.11 0.00 0.00 41.96 39.03 2a24 s TYR 91 CO 0.12 0.47 1.53 1.21 -1.11 0.00 0.00 175.55 177.78 2a24 s ASN 92 N -1.36 6.71 0.00 2.29 3.84 0.11 -4.85 114.94 121.68 2a24 s ASN 92 Ca 0.36 2.36 0.09 0.00 0.21 0.00 0.00 52.86 55.89 2a24 s ASN 92 Cb -0.19 -2.57 0.44 0.00 -0.55 0.00 0.00 41.25 38.38 2a24 s ASN 92 CO 0.21 -0.80 1.30 -0.81 -2.79 0.00 0.00 177.10 174.22 2a24 n PRO 93 N 5.13 1.23 -0.12 0.43 -0.04 -1.26 -1.11 135.00 139.26 2a24 n PRO 93 Ca 0.14 -0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.01 2a24 n PRO 93 Cb 0.41 -1.17 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a24 n ARG 94 N -0.29 0.54 0.00 0.54 5.12 -1.26 -4.76 116.66 116.55 2a24 n ARG 94 Ca 0.08 0.23 0.02 0.00 -1.93 0.00 0.00 57.85 56.25 2a24 n ARG 94 Cb 0.11 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 2a24 n ARG 94 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2a24 n ASN 95 N -4.22 0.37 -2.23 0.55 2.85 -1.26 -5.07 115.26 106.25 2a24 n ASN 95 Ca -0.42 -0.68 -0.04 0.00 -0.11 0.00 0.00 54.58 53.33 2a24 n ASN 95 Cb 0.77 0.83 0.00 0.00 1.24 0.00 0.00 39.78 42.63 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 -0.87 -5.30 -3.64 1.20 7.99 -0.27 -5.05 117.00 111.06 2a24 n LEU 96 Ca 0.01 0.39 -0.15 0.00 -0.01 0.00 0.00 56.01 56.25 2a24 n LEU 96 Cb 0.06 -2.32 -0.07 0.00 -0.11 0.00 0.00 43.42 40.98 2a24 n LEU 96 CO 0.07 -1.40 0.24 0.00 -1.51 0.00 0.00 177.39 174.78 2a24 s GLN 97 N -1.70 0.84 -0.73 3.23 -2.07 -1.23 -4.88 119.66 113.12 2a24 s GLN 97 Ca 0.11 0.14 -0.26 0.00 -1.82 0.00 0.00 55.36 53.53 2a24 s GLN 97 Cb -0.03 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2a24 s GLN 97 CO 0.43 -0.23 1.87 -1.25 -1.32 0.00 0.00 175.29 174.78 2a24 s PRO 98 N -1.04 2.63 -0.18 9.60 0.04 -1.26 0.10 135.00 144.88 2a24 s PRO 98 Ca -0.11 0.23 0.17 0.00 0.04 0.00 0.00 61.00 61.34 2a24 s PRO 98 Cb -0.03 -4.64 -0.24 0.00 0.04 0.00 0.00 34.50 29.63 2a24 s PRO 98 CO 0.06 -2.95 0.09 1.04 0.04 0.00 0.00 177.00 175.29 2a24 n GLN 99 N 9.07 0.91 -3.79 4.56 1.13 -1.21 -4.74 117.38 123.32 2a24 n GLN 99 Ca 0.27 -0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.99 2a24 n GLN 99 Cb 0.50 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a24 n ILE 101 N 2.57 3.88 -2.52 0.00 5.41 -0.78 -0.63 119.36 127.29 2a24 n ILE 101 Ca 0.15 -3.86 -0.42 0.00 1.00 0.00 0.00 62.75 59.63 2a24 n ILE 101 Cb 0.36 -2.46 -0.03 0.00 -0.71 0.00 0.00 39.64 36.80 2a24 n ILE 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 2a24 s MET 102 N 2.90 4.44 -0.22 0.38 1.75 -1.17 -0.13 119.30 127.25 2a24 s MET 102 Ca 0.48 1.62 0.01 0.00 -1.25 0.00 0.00 55.69 56.56 2a24 s MET 102 Cb 0.07 -3.46 0.05 0.00 2.84 0.00 0.00 34.83 34.34 2a24 s MET 102 CO -0.00 -0.27 -0.10 0.00 -0.65 0.00 0.00 175.02 173.99 2a24 s VAL 104 N 1.30 4.82 -0.32 0.00 1.01 -0.35 -1.32 120.40 125.53 2a24 s VAL 104 Ca -0.04 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 2a24 s VAL 104 Cb -0.18 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2a24 s VAL 104 CO -0.07 -0.43 0.27 0.21 0.00 0.00 0.00 175.10 175.09 2a24 s ASN 105 N 1.87 6.10 -0.32 3.32 3.84 -1.10 0.31 114.94 128.97 2a24 s ASN 105 Ca 0.26 -0.22 -0.12 0.00 0.21 0.00 0.00 52.86 52.99 2a24 s ASN 105 Cb -0.14 -2.16 -0.03 0.00 -0.55 0.00 0.00 41.25 38.38 2a24 s ASN 105 CO 0.17 -0.22 0.21 -0.31 -2.79 0.00 0.00 177.10 174.16 2a24 s TYR 106 N 1.84 3.22 -0.11 0.43 2.02 0.14 -3.26 117.35 121.64 2a24 s TYR 106 Ca 0.09 -0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 56.42 2a24 s TYR 106 Cb -0.17 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 2a24 s TYR 106 CO 0.11 -0.30 0.73 0.08 -1.57 0.00 0.00 175.55 174.60 2a24 s VAL 107 N 1.73 4.99 0.00 0.71 1.01 -1.22 -0.32 120.40 127.30 2a24 s VAL 107 Ca 0.06 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2a24 s VAL 107 Cb -0.17 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2a24 s VAL 107 CO 0.10 0.16 0.00 0.18 0.00 0.00 0.00 175.10 175.55 2a24 n LEU 108 N 4.40 0.41 0.00 3.92 4.77 -1.16 -4.49 117.00 124.84 2a24 n LEU 108 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2a24 n LEU 108 Cb 0.50 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2a24 n LEU 108 CO 0.47 -0.08 0.33 -1.20 -1.33 0.00 0.00 177.39 175.57 2a24 n SER 109 N -2.65 0.68 -1.89 -1.43 7.64 -1.23 -5.07 113.62 109.67 2a24 n SER 109 Ca 0.00 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2a24 n SER 109 Cb 0.30 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2a24 n SER 109 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2a24 n GLU 110 N -2.07 1.50 -4.32 1.43 0.00 -1.26 -4.47 120.64 111.44 2a24 n GLU 110 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.91 2a24 n GLU 110 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.65 2a24 n GLU 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2a24 s ILE 111 N 0.57 3.99 -2.00 3.84 1.01 -1.26 -2.53 121.20 124.82 2a24 s ILE 111 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.44 2a24 s ILE 111 Cb 0.00 -2.76 0.30 0.00 0.01 0.00 0.00 42.46 40.01 2a24 s ILE 111 CO 0.00 0.48 1.08 -0.62 0.00 0.00 0.00 174.94 175.88