#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 0.02 -0.01 -0.18 2.01 -1.26 -2.59 115.64 113.63 2a24 s THR 7 Ca 0.00 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 2a24 s THR 7 Cb 0.00 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 2a24 s THR 7 CO 0.00 -0.07 0.08 0.72 -0.69 0.00 0.00 174.62 174.66 2a24 s PHE 8 N -0.38 0.03 -0.21 4.92 -0.12 -1.06 -4.83 117.98 116.33 2a24 s PHE 8 Ca -0.05 -0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 56.65 2a24 s PHE 8 Cb -0.03 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 2a24 s PHE 8 CO 0.03 -0.16 0.27 -1.17 -0.05 0.00 0.00 175.22 174.14 2a24 s LEU 9 N -0.75 4.15 -0.34 -1.99 1.98 -1.26 -1.52 118.68 118.94 2a24 s LEU 9 Ca -0.08 0.32 -0.04 0.00 -2.89 0.00 0.00 54.13 51.44 2a24 s LEU 9 Cb -0.05 -2.29 0.06 0.00 0.66 0.00 0.00 46.19 44.57 2a24 s LEU 9 CO 0.00 0.02 0.09 -0.55 -1.89 0.00 0.00 176.35 174.02 2a24 s SER 10 N 0.95 5.13 -0.23 3.68 0.15 -0.04 -0.13 113.70 123.22 2a24 s SER 10 Ca 0.13 -1.43 -0.19 0.00 0.70 0.00 0.00 55.95 55.15 2a24 s SER 10 Cb -0.14 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 2a24 s SER 10 CO 0.05 -0.36 0.58 -0.60 1.20 0.00 0.00 173.24 174.11 2a24 s ARG 11 N 1.28 4.14 -0.21 5.44 3.52 0.08 -0.58 118.95 132.63 2a24 s ARG 11 Ca -0.01 0.49 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 2a24 s ARG 11 Cb -0.21 -3.62 0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2a24 s ARG 11 CO -0.01 -0.30 -0.14 -1.01 -0.81 0.00 0.00 175.30 173.03 2a24 s HIS 12 N 2.14 2.74 0.25 5.12 3.76 -0.31 -2.21 115.29 126.78 2a24 s HIS 12 Ca 0.25 -1.78 0.09 0.00 -0.15 0.00 0.00 55.06 53.47 2a24 s HIS 12 Cb -0.16 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 2a24 s HIS 12 CO 0.09 -0.80 0.04 -1.12 -0.85 0.00 0.00 174.74 172.11 2a24 s SER 13 N 1.29 4.79 0.89 1.40 0.01 -0.81 0.54 113.70 121.81 2a24 s SER 13 Ca -0.01 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2a24 s SER 13 Cb -0.16 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2a24 s SER 13 CO -0.09 0.00 0.00 0.23 0.41 0.00 0.00 173.24 173.79 2a24 n MET 14 N -0.86 0.00 -0.53 12.44 2.81 -1.08 -1.60 117.12 128.30 2a24 n MET 14 Ca -0.07 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 2a24 n MET 14 Cb 0.58 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.15 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 7.36 3.97 -2.43 7.83 5.75 -1.26 -4.78 116.55 132.98 2a24 n ASP 15 Ca 0.00 -2.66 -0.20 0.00 -0.01 0.00 0.00 54.79 51.91 2a24 n ASP 15 Cb 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 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 0.07 -2.39 -2.24 0.11 0.00 -0.63 -4.88 117.12 107.16 2a24 n MET 16 Ca 0.22 0.94 -0.28 0.00 -0.00 0.00 0.00 57.70 58.59 2a24 n MET 16 Cb 0.84 -5.60 0.04 0.00 0.00 0.00 0.00 33.22 28.50 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 -5.16 2.86 -0.59 2.12 -2.85 -0.81 -4.46 119.74 110.84 2a24 s LYS 17 Ca 0.07 0.11 -0.28 0.00 -1.00 0.00 0.00 55.97 54.88 2a24 s LYS 17 Cb -0.03 -2.19 0.02 0.00 -2.06 0.00 0.00 37.83 33.57 2a24 s LYS 17 CO 0.09 -0.83 1.29 -0.06 0.10 0.00 0.00 175.35 175.94 2a24 s PHE 18 N -3.11 2.44 -0.15 1.78 0.08 -1.25 -1.92 117.98 115.85 2a24 s PHE 18 Ca 0.55 0.38 -0.02 0.00 0.12 0.00 0.00 56.93 57.96 2a24 s PHE 18 Cb -0.11 -4.48 -0.24 0.00 -0.57 0.00 0.00 43.02 37.62 2a24 s PHE 18 CO 0.47 -1.79 0.25 0.25 -0.10 0.00 0.00 175.22 174.30 2a24 n THR 19 N 6.71 1.69 -3.57 0.64 -2.24 -0.94 -2.73 114.28 113.84 2a24 n THR 19 Ca 0.09 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 2a24 n THR 19 Cb 0.49 -1.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.55 -0.51 0.03 4.78 5.04 -1.23 -4.92 117.35 117.99 2a24 s TYR 20 Ca -0.23 0.98 -0.07 0.00 -2.44 0.00 0.00 57.07 55.31 2a24 s TYR 20 Cb 0.07 0.41 -0.00 0.00 0.35 0.00 0.00 41.96 42.79 2a24 s TYR 20 CO 0.74 -0.42 0.13 0.00 -1.34 0.00 0.00 175.55 174.66 2a24 s ASP 22 N -1.91 5.35 0.44 0.00 -1.08 0.82 -4.86 116.67 115.43 2a24 s ASP 22 Ca -0.08 2.62 0.30 0.00 -0.52 0.00 0.00 52.55 54.87 2a24 s ASP 22 Cb -0.03 -2.62 1.39 0.00 -1.46 0.00 0.00 42.92 40.20 2a24 s ASP 22 CO -0.03 -1.51 1.91 -2.24 0.52 0.00 0.00 175.17 173.83 2a24 h ASP 23 N 1.39 0.00 0.63 -0.34 3.04 -1.96 -2.62 116.42 116.56 2a24 h ASP 23 Ca -0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2a24 h ASP 23 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2a24 h ASP 23 CO 0.57 0.00 0.00 0.03 -2.04 0.00 0.00 179.24 177.80 2a24 h ARG 24 N 0.00 0.00 0.00 4.15 -0.00 -1.90 -2.69 114.38 113.94 2a24 h ARG 24 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 2a24 h ARG 24 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.27 2a24 h ARG 24 CO 0.00 0.00 -0.14 0.97 0.00 0.00 0.00 179.97 180.80 2a24 h ILE 25 N 0.00 0.74 0.00 2.04 2.10 -1.78 -1.76 117.51 118.85 2a24 h ILE 25 Ca 0.00 -0.56 -0.11 0.00 1.08 0.00 0.00 64.86 65.27 2a24 h ILE 25 Cb 0.31 1.34 -0.02 0.00 -1.09 0.00 0.00 36.82 37.37 2a24 h ILE 25 CO 0.00 0.14 -0.50 0.74 -1.08 0.00 0.00 178.15 177.44 2a24 h THR 26 N 0.00 1.30 -0.05 2.19 2.02 -1.53 0.29 112.91 117.13 2a24 h THR 26 Ca -0.00 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.42 2a24 h THR 26 Cb 0.33 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2a24 h THR 26 CO 0.02 0.49 0.00 -1.84 0.37 0.00 0.00 175.52 174.56 2a24 n GLU 27 N -3.85 2.28 -0.04 6.66 0.28 -0.78 -3.22 120.64 121.96 2a24 n GLU 27 Ca -0.01 -1.93 -0.08 0.00 -0.16 0.00 0.00 57.16 54.98 2a24 n GLU 27 Cb 0.53 -1.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 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 1.33 0.65 -0.10 -1.84 4.77 -0.73 -4.85 117.00 116.23 2a24 n LEU 28 Ca 0.14 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 2a24 n LEU 28 Cb 0.59 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 2a24 n LEU 28 CO 0.15 0.09 -1.23 -0.38 -1.33 0.00 0.00 177.39 174.68 2a24 n ILE 29 N -3.41 1.53 0.00 -0.08 5.41 0.89 -4.96 119.36 118.75 2a24 n ILE 29 Ca -0.15 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 62.99 2a24 n ILE 29 Cb 0.57 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2a24 n GLY 30 N 2.17 2.75 3.72 7.39 0.00 -0.41 -0.28 105.19 120.53 2a24 n GLY 30 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.44 3.67 0.14 1.61 2.02 -1.25 -4.83 117.35 116.27 2a24 s TYR 31 Ca 0.00 1.53 -0.31 0.00 -0.37 0.00 0.00 57.07 57.92 2a24 s TYR 31 Cb 0.00 -2.96 -0.08 0.00 -0.40 0.00 0.00 41.96 38.53 2a24 s TYR 31 CO 0.00 0.10 1.30 -1.58 -1.57 0.00 0.00 175.55 173.80 2a24 s HIS 32 N 0.62 3.32 0.14 2.71 2.46 -1.26 -3.60 115.29 119.68 2a24 s HIS 32 Ca 0.44 1.18 -0.29 0.00 0.47 0.00 0.00 55.06 56.86 2a24 s HIS 32 Cb -0.20 -3.57 -0.05 0.00 -0.13 0.00 0.00 32.58 28.63 2a24 s HIS 32 CO 0.24 -1.82 1.57 -1.35 -2.47 0.00 0.00 174.74 170.91 2a24 h PRO 33 N 6.08 -0.41 -0.09 2.88 0.11 -1.89 -0.55 132.00 138.14 2a24 h PRO 33 Ca -0.43 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.73 2a24 h PRO 33 Cb 1.21 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2a24 h PRO 33 CO 0.80 -0.27 0.10 0.93 -0.21 0.00 0.00 178.00 179.36 2a24 h GLU 34 N -0.42 0.00 -0.03 1.05 4.39 -1.92 -1.62 114.58 116.03 2a24 h GLU 34 Ca 0.10 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 2a24 h GLU 34 Cb 0.61 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2a24 h GLU 34 CO -0.51 0.00 -0.52 1.49 -1.16 0.00 0.00 179.01 178.32 2a24 h GLU 35 N 0.00 0.41 -0.09 2.33 4.22 -1.51 -3.20 114.58 116.74 2a24 h GLU 35 Ca 0.04 -0.39 -0.05 0.00 0.08 0.00 0.00 59.36 59.04 2a24 h GLU 35 Cb 0.25 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2a24 h GLU 35 CO -0.00 1.05 -0.18 -0.07 -2.18 0.00 0.00 179.01 177.64 2a24 h LEU 36 N -0.09 0.14 -8.65 1.64 3.38 -0.66 -3.41 115.31 107.66 2a24 h LEU 36 Ca -0.05 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.38 2a24 h LEU 36 Cb 1.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2a24 h LEU 36 CO 0.10 0.33 1.50 -0.76 0.09 0.00 0.00 178.44 179.70 2a24 s LEU 37 N -8.66 3.39 0.00 1.67 1.43 -0.76 -1.34 118.68 114.41 2a24 s LEU 37 Ca -0.05 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2a24 s LEU 37 Cb 0.15 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2a24 s LEU 37 CO 0.72 -2.49 0.00 0.61 0.23 0.00 0.00 176.35 175.42 2a24 n GLY 38 N 5.82 1.62 3.99 -3.19 0.00 -1.10 -4.98 105.19 107.34 2a24 n GLY 38 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.13 0.20 1.61 1.70 -0.45 -4.99 118.95 119.15 2a24 s ARG 39 Ca 0.00 -1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 54.04 2a24 s ARG 39 Cb 0.00 -2.44 -0.08 0.00 -0.57 0.00 0.00 34.95 31.86 2a24 s ARG 39 CO 0.00 -1.05 0.70 -1.12 -1.08 0.00 0.00 175.30 172.74 2a24 s SER 40 N -4.59 7.06 0.16 -2.89 0.01 -1.26 -3.96 113.70 108.22 2a24 s SER 40 Ca 0.62 1.39 -0.08 0.00 1.31 0.00 0.00 55.95 59.18 2a24 s SER 40 Cb -0.08 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2a24 s SER 40 CO 0.41 0.07 1.47 0.00 0.41 0.00 0.00 173.24 175.60 2a24 h ALA 41 N 3.59 0.59 0.00 1.44 0.00 -1.90 -3.00 119.26 119.98 2a24 h ALA 41 Ca -0.48 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2a24 h ALA 41 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a24 h ALA 41 CO 0.65 0.68 0.00 0.66 0.00 0.00 0.00 179.25 181.24 2a24 n TYR 42 N -4.01 0.00 0.19 0.00 4.01 -1.26 -2.83 117.16 113.27 2a24 n TYR 42 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.74 2a24 n TYR 42 Cb 0.59 0.00 0.39 0.00 -0.31 0.00 0.00 39.34 40.01 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 0.00 -0.10 -0.72 5.08 -1.94 -3.31 114.58 113.59 2a24 h GLU 43 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2a24 h GLU 43 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 2a24 h GLU 43 CO 0.00 0.34 -0.74 1.97 -1.00 0.00 0.00 179.01 179.58 2a24 n PHE 44 N -4.06 -0.07 -1.53 4.33 -1.74 -1.18 -5.00 117.46 108.22 2a24 n PHE 44 Ca -0.02 -1.11 -0.40 0.00 -0.56 0.00 0.00 57.45 55.36 2a24 n PHE 44 Cb 0.39 0.30 -0.02 0.00 1.52 0.00 0.00 39.48 41.67 2a24 n PHE 44 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 2a24 n TYR 45 N -0.25 2.84 -0.69 2.97 4.02 -1.13 -4.37 117.16 120.55 2a24 n TYR 45 Ca -0.06 -3.03 0.09 0.00 -0.01 0.00 0.00 57.90 54.88 2a24 n TYR 45 Cb 0.91 -2.47 -0.03 0.00 -0.02 0.00 0.00 39.34 37.73 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2a24 n HIS 46 N 4.37 -1.79 -0.05 -0.72 8.25 -1.26 -3.66 115.22 120.37 2a24 n HIS 46 Ca 0.67 0.94 -0.05 0.00 -0.26 0.00 0.00 57.72 59.02 2a24 n HIS 46 Cb 0.29 -1.63 -0.02 0.00 1.12 0.00 0.00 29.99 29.76 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 -2.89 0.47 0.77 -1.41 0.00 -1.26 -4.46 120.51 111.72 2a24 n ALA 47 Ca -0.02 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 52.97 2a24 n ALA 47 Cb 0.32 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.58 0.77 -1.73 0.00 -0.00 -1.26 -4.18 117.00 107.02 2a24 n LEU 48 Ca -0.07 -0.40 0.07 0.00 -0.00 0.00 0.00 56.01 55.61 2a24 n LEU 48 Cb 0.28 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 44.07 2a24 n LEU 48 CO 0.11 0.19 0.83 0.47 -0.00 0.00 0.00 177.39 178.99 2a24 n ASP 49 N -1.62 5.19 -0.08 1.45 9.92 -1.26 -4.34 116.55 125.80 2a24 n ASP 49 Ca 0.02 -2.74 -0.15 0.00 -0.53 0.00 0.00 54.79 51.40 2a24 n ASP 49 Cb 0.36 -0.64 -0.04 0.00 -0.64 0.00 0.00 41.12 40.16 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 3.81 0.98 0.00 -2.24 0.02 -1.72 -3.02 113.55 111.38 2a24 h SER 50 Ca 0.00 -0.52 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 2a24 h SER 50 Cb 1.74 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 2a24 h SER 50 CO 0.39 1.32 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.95 2a24 h GLU 51 N 0.67 0.27 -0.16 3.45 5.08 -1.88 -1.18 114.58 120.84 2a24 h GLU 51 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2a24 h GLU 51 Cb 1.15 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2a24 h GLU 51 CO 0.12 0.41 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.52 2a24 h ASN 52 N 0.26 -0.16 -0.08 1.42 -0.73 -1.81 0.27 115.58 114.73 2a24 h ASN 52 Ca 0.05 0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.16 2a24 h ASN 52 Cb 0.39 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2a24 h ASN 52 CO 0.02 -0.06 -0.29 0.24 -0.37 0.00 0.00 177.43 176.98 2a24 h MET 53 N -0.01 0.54 -0.71 6.67 2.86 -1.41 -0.85 114.93 122.03 2a24 h MET 53 Ca 0.08 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2a24 h MET 53 Cb 0.13 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2a24 h MET 53 CO -0.17 0.77 0.28 1.15 1.06 0.00 0.00 176.91 180.01 2a24 h THR 54 N 0.47 1.25 -0.21 2.22 2.02 -0.53 0.63 112.91 118.75 2a24 h THR 54 Ca 0.06 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 2a24 h THR 54 Cb 0.74 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2a24 h THR 54 CO 0.06 0.31 -0.15 0.11 0.37 0.00 0.00 175.52 176.22 2a24 h LYS 55 N 1.01 0.47 -0.40 6.66 6.56 -0.21 -1.90 116.57 128.76 2a24 h LYS 55 Ca 0.24 -0.23 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2a24 h LYS 55 Cb 0.21 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 2a24 h LYS 55 CO -0.02 0.78 0.21 0.77 -2.06 0.00 0.00 179.45 179.14 2a24 h SER 56 N 0.16 0.33 -0.01 0.86 0.02 -0.94 -0.06 113.55 113.91 2a24 h SER 56 Ca 0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2a24 h SER 56 Cb 0.67 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2a24 h SER 56 CO 0.04 0.24 0.01 -0.74 -1.14 0.00 0.00 176.83 175.24 2a24 h HIS 57 N 0.44 0.02 -0.62 3.45 -0.00 -0.84 0.34 115.15 117.92 2a24 h HIS 57 Ca 0.17 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2a24 h HIS 57 Cb 0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 2a24 h HIS 57 CO -0.09 0.02 0.37 0.37 -0.00 0.00 0.00 177.93 178.60 2a24 h GLN 58 N 0.01 0.69 -0.23 5.26 4.15 -1.07 -0.56 115.11 123.36 2a24 h GLN 58 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2a24 h GLN 58 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2a24 h GLN 58 CO -0.00 0.45 -0.02 -0.97 -1.93 0.00 0.00 178.83 176.36 2a24 h ASN 59 N 0.71 0.42 -1.00 -0.69 -1.24 -0.75 -3.14 115.58 109.89 2a24 h ASN 59 Ca 0.26 -0.33 0.07 0.00 0.71 0.00 0.00 56.30 57.01 2a24 h ASN 59 Cb 0.08 -0.11 -0.07 0.00 0.73 0.00 0.00 38.32 38.95 2a24 h ASN 59 CO -0.13 0.65 0.65 0.25 -1.29 0.00 0.00 177.43 177.56 2a24 h LEU 60 N 0.18 1.03 -1.74 0.34 5.85 0.09 -1.75 115.31 119.32 2a24 h LEU 60 Ca 0.06 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.92 2a24 h LEU 60 Cb 0.45 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2a24 h LEU 60 CO 0.02 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 179.19 2a24 n THR 62 N -4.45 2.65 0.03 0.00 -1.04 -0.68 -4.62 114.28 106.18 2a24 n THR 62 Ca 0.11 -2.32 0.00 0.00 -2.04 0.00 0.00 64.05 59.80 2a24 n THR 62 Cb 0.49 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 2a24 n THR 62 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2a24 n LYS 63 N -0.90 0.00 0.00 -2.82 4.76 -0.07 -5.06 118.16 114.06 2a24 n LYS 63 Ca 0.36 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2a24 n LYS 63 Cb 1.15 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 34.15 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 2.15 3.19 3.23 0.72 0.00 -0.23 -5.00 105.19 109.24 2a24 n GLY 64 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 0.36 -0.01 1.61 0.74 -1.26 -0.16 119.66 120.94 2a24 s GLN 65 Ca 0.00 0.72 -0.06 0.00 0.05 0.00 0.00 55.36 56.06 2a24 s GLN 65 Cb 0.00 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.09 2a24 s GLN 65 CO 0.00 -0.15 0.13 0.54 -0.55 0.00 0.00 175.29 175.26 2a24 s VAL 66 N 1.27 0.06 -0.29 1.34 0.11 -0.34 -4.99 120.40 117.56 2a24 s VAL 66 Ca -0.09 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2a24 s VAL 66 Cb -0.08 -0.37 0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2a24 s VAL 66 CO -0.11 -0.29 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.65 2a24 s VAL 67 N -1.03 2.78 0.11 2.04 1.01 -1.26 -0.24 120.40 123.81 2a24 s VAL 67 Ca -0.11 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 2a24 s VAL 67 Cb -0.06 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 2a24 s VAL 67 CO 0.01 -0.09 0.56 -0.44 0.00 0.00 0.00 175.10 175.14 2a24 s SER 68 N 1.21 6.94 1.09 3.32 0.01 0.15 -4.97 113.70 121.45 2a24 s SER 68 Ca -0.06 1.17 -0.10 0.00 1.31 0.00 0.00 55.95 58.26 2a24 s SER 68 Cb -0.20 -2.32 0.15 0.00 0.21 0.00 0.00 66.02 63.85 2a24 s SER 68 CO -0.02 0.18 0.62 0.61 0.41 0.00 0.00 173.24 175.04 2a24 n GLY 69 N 1.23 -2.17 3.72 3.44 0.00 -1.26 -1.96 105.19 108.20 2a24 n GLY 69 Ca -0.08 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2a24 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a24 n GLN 70 N -2.99 2.77 -4.26 1.61 6.02 -1.25 -4.38 117.38 114.89 2a24 n GLN 70 Ca 0.08 1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.92 2a24 n GLN 70 Cb 0.31 -2.83 -0.10 0.00 1.02 0.00 0.00 30.24 28.64 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 0.93 1.35 -0.78 1.08 -0.85 0.45 -4.87 117.35 114.66 2a24 s TYR 71 Ca 0.73 -1.30 -0.23 0.00 -0.52 0.00 0.00 57.07 55.74 2a24 s TYR 71 Cb -0.50 -0.72 0.06 0.00 0.38 0.00 0.00 41.96 41.18 2a24 s TYR 71 CO 0.36 -0.51 1.16 1.03 -1.52 0.00 0.00 175.55 176.07 2a24 s ARG 72 N -4.08 3.28 -0.14 -3.49 0.52 -1.26 -1.74 118.95 112.04 2a24 s ARG 72 Ca 0.38 -0.83 -0.24 0.00 -0.52 0.00 0.00 55.73 54.53 2a24 s ARG 72 Cb 0.07 -4.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.03 2a24 s ARG 72 CO 0.13 -1.98 0.76 1.41 0.02 0.00 0.00 175.30 175.64 2a24 s MET 73 N 4.53 4.32 0.06 3.54 1.75 0.22 -4.54 119.30 129.18 2a24 s MET 73 Ca 0.31 0.91 -0.31 0.00 -1.25 0.00 0.00 55.69 55.35 2a24 s MET 73 Cb -0.10 -3.54 -0.06 0.00 2.84 0.00 0.00 34.83 33.98 2a24 s MET 73 CO 0.06 -0.20 1.25 -1.17 -0.65 0.00 0.00 175.02 174.30 2a24 s LEU 74 N 1.71 4.36 0.52 4.11 2.96 -1.26 -0.06 118.68 131.02 2a24 s LEU 74 Ca 0.36 2.06 0.08 0.00 -0.22 0.00 0.00 54.13 56.42 2a24 s LEU 74 Cb -0.17 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2a24 s LEU 74 CO 0.14 -0.53 0.57 0.00 -1.32 0.00 0.00 176.35 175.22 2a24 s ALA 75 N 1.23 4.49 -0.40 5.97 0.00 0.10 -4.94 121.76 128.21 2a24 s ALA 75 Ca 0.60 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 2a24 s ALA 75 Cb -0.31 -1.17 -0.21 0.00 0.00 0.00 0.00 23.12 21.44 2a24 s ALA 75 CO 0.29 -0.56 3.42 1.17 0.00 0.00 0.00 175.76 180.08 2a24 n LYS 76 N -1.93 2.44 -0.63 0.00 4.81 0.62 -3.10 118.16 120.37 2a24 n LYS 76 Ca 0.07 -1.38 -0.01 0.00 -0.87 0.00 0.00 58.31 56.12 2a24 n LYS 76 Cb 0.62 -2.19 -0.01 0.00 0.02 0.00 0.00 35.03 33.47 2a24 n LYS 76 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2a24 n HIS 77 N 2.63 -0.01 -2.16 5.64 1.44 -1.26 -4.96 115.22 116.54 2a24 n HIS 77 Ca 0.51 -0.09 -0.21 0.00 -2.01 0.00 0.00 57.72 55.92 2a24 n HIS 77 Cb 0.74 0.31 -0.03 0.00 0.12 0.00 0.00 29.99 31.12 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 -0.01 0.24 3.75 -1.39 0.00 -1.18 -4.98 105.19 101.62 2a24 n GLY 78 Ca -0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.27 1.88 -0.36 -0.02 0.00 -1.26 -4.92 107.32 100.37 2a24 s GLY 79 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.60 2a24 s GLY 79 CO 0.00 -1.12 0.10 -0.19 0.00 0.00 0.00 173.10 171.89 2a24 s TYR 80 N -1.51 3.64 -0.12 1.90 2.02 0.01 0.02 117.35 123.31 2a24 s TYR 80 Ca 0.29 -2.66 -0.27 0.00 -0.37 0.00 0.00 57.07 54.06 2a24 s TYR 80 Cb -0.11 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.48 2a24 s TYR 80 CO 0.21 -0.95 0.87 0.08 -1.57 0.00 0.00 175.55 174.20 2a24 s VAL 81 N 1.03 4.88 -0.89 0.71 1.01 0.91 0.54 120.40 128.60 2a24 s VAL 81 Ca 0.08 1.75 -0.25 0.00 0.00 0.00 0.00 61.98 63.57 2a24 s VAL 81 Cb -0.21 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2a24 s VAL 81 CO -0.06 0.06 1.65 0.26 0.00 0.00 0.00 175.10 177.01 2a24 s TRP 82 N 1.83 2.13 0.26 5.22 0.52 -1.10 -0.61 118.94 127.19 2a24 s TRP 82 Ca 0.42 -0.01 0.11 0.00 0.02 0.00 0.00 56.10 56.64 2a24 s TRP 82 Cb -0.18 -4.39 -0.05 0.00 -1.15 0.00 0.00 33.47 27.71 2a24 s TRP 82 CO 0.16 -1.94 -0.13 -0.51 0.02 0.00 0.00 176.95 174.55 2a24 s LEU 83 N 7.37 2.81 0.27 2.99 1.02 -0.71 -3.26 118.68 129.17 2a24 s LEU 83 Ca 0.55 -0.86 0.08 0.00 0.02 0.00 0.00 54.13 53.93 2a24 s LEU 83 Cb -0.05 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 2a24 s LEU 83 CO 0.01 0.04 0.13 -1.61 0.02 0.00 0.00 176.35 174.93 2a24 s GLU 84 N -3.46 2.66 -0.12 1.70 2.02 -0.30 -0.41 118.70 120.78 2a24 s GLU 84 Ca 0.29 -1.22 -0.05 0.00 0.02 0.00 0.00 54.97 54.01 2a24 s GLU 84 Cb -0.06 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.83 2a24 s GLU 84 CO 0.16 0.36 0.27 0.99 0.02 0.00 0.00 175.26 177.06 2a24 s THR 85 N -2.23 -0.24 -0.39 3.63 2.01 -0.83 -0.14 115.64 117.45 2a24 s THR 85 Ca 0.33 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 2a24 s THR 85 Cb -0.07 -0.43 0.08 0.00 0.01 0.00 0.00 72.50 72.09 2a24 s THR 85 CO 0.23 0.09 0.20 -1.58 -0.69 0.00 0.00 174.62 172.87 2a24 s GLN 86 N 1.89 2.45 -0.21 4.92 0.74 0.45 0.32 119.66 130.22 2a24 s GLN 86 Ca -0.04 -1.49 -0.21 0.00 0.05 0.00 0.00 55.36 53.67 2a24 s GLN 86 Cb -0.11 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 2a24 s GLN 86 CO -0.09 -0.91 0.66 0.20 -0.55 0.00 0.00 175.29 174.60 2a24 s GLY 87 N 1.88 1.98 -0.22 2.59 0.00 0.67 -0.53 107.32 113.69 2a24 s GLY 87 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.49 2a24 s GLY 87 CO 0.00 1.40 -0.12 -1.59 0.00 0.00 0.00 173.10 172.80 2a24 s THR 88 N 2.12 1.89 -0.12 0.90 2.01 0.58 -1.20 115.64 121.82 2a24 s THR 88 Ca 0.29 -1.24 -0.28 0.00 0.31 0.00 0.00 61.69 60.77 2a24 s THR 88 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2a24 s THR 88 CO 0.10 0.13 0.94 -0.69 -0.69 0.00 0.00 174.62 174.41 2a24 s VAL 89 N 1.27 4.82 -0.10 3.82 1.01 0.77 0.38 120.40 132.39 2a24 s VAL 89 Ca -0.03 1.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.77 2a24 s VAL 89 Cb -0.17 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2a24 s VAL 89 CO -0.08 0.02 0.17 -0.51 0.00 0.00 0.00 175.10 174.70 2a24 s ILE 90 N 2.02 5.46 0.08 2.22 2.07 0.81 -4.93 121.20 128.93 2a24 s ILE 90 Ca 0.45 0.23 0.04 0.00 -1.41 0.00 0.00 60.65 59.95 2a24 s ILE 90 Cb -0.18 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 38.93 2a24 s ILE 90 CO 0.16 0.58 0.04 -0.31 -1.91 0.00 0.00 174.94 173.50 2a24 s TYR 91 N -1.07 3.10 -0.24 3.50 2.02 -1.26 -0.76 117.35 122.64 2a24 s TYR 91 Ca 0.17 0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 56.67 2a24 s TYR 91 Cb -0.12 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2a24 s TYR 91 CO 0.06 0.50 0.77 1.21 -1.57 0.00 0.00 175.55 176.53 2a24 s ASN 92 N -2.33 6.76 0.62 2.29 3.84 -0.67 -4.88 114.94 120.57 2a24 s ASN 92 Ca 0.27 0.94 0.40 0.00 0.21 0.00 0.00 52.86 54.68 2a24 s ASN 92 Cb -0.12 -2.41 2.07 0.00 -0.55 0.00 0.00 41.25 40.25 2a24 s ASN 92 CO 0.20 -0.47 2.25 1.55 -2.79 0.00 0.00 177.10 177.85 2a24 h PRO 93 N 7.74 0.00 -0.02 0.43 0.13 -1.98 0.42 132.00 138.71 2a24 h PRO 93 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2a24 h PRO 93 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2a24 h PRO 93 CO 0.84 0.01 -0.14 -2.13 -0.23 0.00 0.00 178.00 176.35 2a24 n ARG 94 N -3.18 1.55 -0.00 0.86 0.63 -1.26 -4.44 116.66 110.82 2a24 n ARG 94 Ca -0.02 -1.28 0.00 0.00 -0.92 0.00 0.00 57.85 55.64 2a24 n ARG 94 Cb 0.14 -1.33 -0.00 0.00 0.45 0.00 0.00 32.46 31.72 2a24 n ARG 94 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a24 n ASN 95 N 0.56 4.90 -3.63 6.15 4.13 -0.68 -5.04 115.26 121.66 2a24 n ASN 95 Ca 0.09 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.14 2a24 n ASN 95 Cb 0.41 0.99 0.05 0.00 -1.54 0.00 0.00 39.78 39.70 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2a24 n LEU 96 N -1.54 -3.38 -3.45 3.41 4.77 0.14 -4.98 117.00 111.97 2a24 n LEU 96 Ca -0.00 -0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 2a24 n LEU 96 Cb 0.04 -2.83 -0.02 0.00 -2.33 0.00 0.00 43.42 38.28 2a24 n LEU 96 CO 0.01 0.42 0.48 0.00 -1.33 0.00 0.00 177.39 176.97 2a24 s GLN 97 N -5.86 1.15 0.24 3.23 -2.07 -1.25 -4.99 119.66 110.11 2a24 s GLN 97 Ca 0.10 -0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 52.94 2a24 s GLN 97 Cb -0.05 0.53 -0.11 0.00 -1.09 0.00 0.00 33.01 32.29 2a24 s GLN 97 CO 0.78 -0.50 1.65 -2.14 -1.32 0.00 0.00 175.29 173.76 2a24 s PRO 98 N -3.47 4.14 0.00 9.60 0.02 -1.26 -1.67 135.00 142.36 2a24 s PRO 98 Ca 0.01 2.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.56 2a24 s PRO 98 Cb -0.01 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 2a24 s PRO 98 CO -0.11 -0.68 -0.07 0.94 -0.33 0.00 0.00 177.00 176.75 2a24 n GLN 99 N 3.22 0.11 -4.24 5.54 7.27 0.06 -4.87 117.38 124.47 2a24 n GLN 99 Ca 0.12 0.04 -0.21 0.00 0.07 0.00 0.00 57.00 57.03 2a24 n GLN 99 Cb 0.37 -0.57 -0.12 0.00 2.41 0.00 0.00 30.24 32.32 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 -1.19 3.91 -0.74 0.00 1.01 0.19 -0.13 121.20 124.25 2a24 s ILE 101 Ca 0.02 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 2a24 s ILE 101 Cb -0.10 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.27 2a24 s ILE 101 CO 0.03 -0.09 1.26 -0.04 0.00 0.00 0.00 174.94 176.10 2a24 s MET 102 N 1.45 3.19 -0.62 2.79 -1.94 0.16 -1.17 119.30 123.16 2a24 s MET 102 Ca 0.00 -0.28 -0.20 0.00 -1.71 0.00 0.00 55.69 53.50 2a24 s MET 102 Cb -0.19 -4.19 0.10 0.00 2.01 0.00 0.00 34.83 32.56 2a24 s MET 102 CO 0.03 -2.13 0.80 0.00 -0.01 0.00 0.00 175.02 173.71 2a24 s VAL 104 N 3.07 4.06 -0.31 0.00 1.01 0.31 -0.86 120.40 127.68 2a24 s VAL 104 Ca 0.15 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 2a24 s VAL 104 Cb -0.21 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 2a24 s VAL 104 CO 0.07 -0.75 0.36 0.20 0.00 0.00 0.00 175.10 174.97 2a24 s ASN 105 N 3.22 6.20 -0.33 3.32 0.01 -0.58 -0.41 114.94 126.37 2a24 s ASN 105 Ca 0.56 0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 52.57 2a24 s ASN 105 Cb -0.12 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 2a24 s ASN 105 CO 0.30 -0.26 0.34 -0.31 -1.51 0.00 0.00 177.10 175.67 2a24 s TYR 106 N 2.03 3.21 -0.30 2.20 2.02 0.80 -2.56 117.35 124.75 2a24 s TYR 106 Ca 0.13 -0.00 -0.22 0.00 -0.37 0.00 0.00 57.07 56.60 2a24 s TYR 106 Cb -0.16 -2.63 -0.00 0.00 -0.40 0.00 0.00 41.96 38.76 2a24 s TYR 106 CO 0.11 -0.40 0.74 0.08 -1.57 0.00 0.00 175.55 174.51 2a24 s VAL 107 N 1.99 4.84 0.00 0.71 1.01 -1.07 -1.15 120.40 126.73 2a24 s VAL 107 Ca 0.11 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2a24 s VAL 107 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2a24 s VAL 107 CO 0.11 -0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.19 2a24 n LEU 108 N 6.09 0.00 -4.68 3.92 4.77 -1.25 -4.57 117.00 121.28 2a24 n LEU 108 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 2a24 n LEU 108 Cb 0.48 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.77 2a24 n LEU 108 CO 0.49 0.00 0.66 -0.44 -1.33 0.00 0.00 177.39 176.77 2a24 s SER 109 N 1.00 2.12 0.50 -1.43 0.01 -1.20 -5.06 113.70 109.64 2a24 s SER 109 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2a24 s SER 109 Cb 0.00 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.95 2a24 s SER 109 CO 0.00 -3.40 0.00 -1.84 0.41 0.00 0.00 173.24 168.41 2a24 n GLU 110 N -4.31 0.61 -3.31 12.44 0.00 -1.26 -4.39 120.64 120.41 2a24 n GLU 110 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.87 2a24 n GLU 110 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.96 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 -0.32 5.15 -2.07 3.84 1.01 -1.26 -2.70 121.20 124.85 2a24 s ILE 111 Ca 0.00 0.85 0.31 0.00 0.00 0.00 0.00 60.65 61.82 2a24 s ILE 111 Cb 0.00 -3.79 0.86 0.00 0.01 0.00 0.00 42.46 39.54 2a24 s ILE 111 CO 0.00 0.23 2.16 1.21 0.00 0.00 0.00 174.94 178.54