#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 1.02 0.08 -0.18 2.01 -1.26 -2.81 115.64 114.49 2a24 s THR 7 Ca 0.00 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 2a24 s THR 7 Cb 0.00 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2a24 s THR 7 CO 0.00 0.05 0.05 0.72 -0.69 0.00 0.00 174.62 174.76 2a24 s PHE 8 N -0.72 0.47 -0.10 4.92 -0.71 -0.99 -5.00 117.98 115.86 2a24 s PHE 8 Ca 0.02 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.95 2a24 s PHE 8 Cb -0.07 -0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2a24 s PHE 8 CO 0.01 -0.46 -0.10 -1.17 -1.34 0.00 0.00 175.22 172.16 2a24 s LEU 9 N -2.93 2.94 0.21 -1.99 1.98 -1.26 -1.67 118.68 115.97 2a24 s LEU 9 Ca 0.10 -0.17 -0.00 0.00 -2.89 0.00 0.00 54.13 51.16 2a24 s LEU 9 Cb 0.07 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.23 2a24 s LEU 9 CO -0.08 0.27 0.13 -0.94 -1.89 0.00 0.00 176.35 173.84 2a24 s SER 10 N -0.26 0.39 -0.01 3.68 1.04 -0.21 -3.91 113.70 114.42 2a24 s SER 10 Ca 0.03 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 55.08 2a24 s SER 10 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2a24 s SER 10 CO 0.03 -0.82 -0.07 -0.60 0.98 0.00 0.00 173.24 172.76 2a24 s ARG 11 N -4.12 0.64 0.02 4.02 3.52 -0.09 0.40 118.95 123.34 2a24 s ARG 11 Ca 0.39 -0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.82 2a24 s ARG 11 Cb 0.07 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2a24 s ARG 11 CO 0.13 0.10 -0.14 -1.01 -0.81 0.00 0.00 175.30 173.57 2a24 s HIS 12 N 0.08 2.69 -0.05 5.12 3.76 -0.94 -1.43 115.29 124.52 2a24 s HIS 12 Ca -0.01 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.67 2a24 s HIS 12 Cb -0.06 -1.53 0.01 0.00 1.11 0.00 0.00 32.58 32.11 2a24 s HIS 12 CO -0.00 0.28 0.18 -1.12 -0.85 0.00 0.00 174.74 173.23 2a24 s SER 13 N -1.34 -0.15 0.66 1.40 0.01 -1.02 -3.19 113.70 110.07 2a24 s SER 13 Ca 0.15 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2a24 s SER 13 Cb -0.11 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2a24 s SER 13 CO 0.06 -0.13 0.00 0.23 0.41 0.00 0.00 173.24 173.81 2a24 n MET 14 N 2.67 0.00 -0.12 12.44 2.81 -1.26 -1.89 117.12 131.78 2a24 n MET 14 Ca -0.15 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.73 2a24 n MET 14 Cb 0.58 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.12 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 6.25 2.43 -1.86 7.83 5.75 -1.26 -4.78 116.55 130.91 2a24 n ASP 15 Ca 0.00 -2.14 -0.18 0.00 -0.01 0.00 0.00 54.79 52.46 2a24 n ASP 15 Cb 0.00 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 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 0.22 -1.40 -1.61 0.11 1.56 -0.79 -4.78 117.12 110.43 2a24 n MET 16 Ca 0.05 0.98 -0.29 0.00 -0.27 0.00 0.00 57.70 58.17 2a24 n MET 16 Cb 0.51 -5.42 0.21 0.00 2.15 0.00 0.00 33.22 30.68 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 -2.66 -1.79 -3.53 2.12 2.85 -1.05 -4.62 118.16 109.48 2a24 n LYS 17 Ca -0.21 -1.92 -0.36 0.00 -1.05 0.00 0.00 58.31 54.77 2a24 n LYS 17 Cb 0.64 -1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 33.54 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 -3.57 3.44 0.00 5.58 0.08 -1.26 -2.44 117.98 119.81 2a24 s PHE 18 Ca 0.72 0.56 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2a24 s PHE 18 Cb -0.03 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2a24 s PHE 18 CO 0.52 0.20 0.67 0.25 -0.10 0.00 0.00 175.22 176.76 2a24 n THR 19 N 3.71 0.45 -3.63 0.64 -2.24 -0.51 -1.33 114.28 111.38 2a24 n THR 19 Ca -0.12 -0.55 -0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2a24 n THR 19 Cb 0.52 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.45 -0.39 0.10 4.78 5.04 -1.24 -4.88 117.35 120.31 2a24 s TYR 20 Ca 0.00 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 2a24 s TYR 20 Cb 0.00 0.23 -0.00 0.00 0.35 0.00 0.00 41.96 42.54 2a24 s TYR 20 CO 0.00 -0.19 0.13 0.00 -1.34 0.00 0.00 175.55 174.15 2a24 s ASP 22 N -1.67 1.78 0.20 0.00 -1.08 -1.25 -4.90 116.67 109.75 2a24 s ASP 22 Ca 0.10 -1.34 0.19 0.00 -0.52 0.00 0.00 52.55 50.97 2a24 s ASP 22 Cb -0.00 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 2a24 s ASP 22 CO 0.07 -0.63 1.12 -0.78 0.52 0.00 0.00 175.17 175.46 2a24 h ASP 23 N 2.30 0.00 -0.12 -0.34 3.58 -1.96 -3.32 116.42 116.57 2a24 h ASP 23 Ca -0.39 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.09 2a24 h ASP 23 Cb 1.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 2a24 h ASP 23 CO 0.65 0.31 0.17 0.03 -2.88 0.00 0.00 179.24 177.53 2a24 h ARG 24 N 0.00 0.00 0.00 0.28 3.08 -1.96 -0.11 114.38 115.67 2a24 h ARG 24 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2a24 h ARG 24 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2a24 h ARG 24 CO 0.03 0.00 0.00 0.97 -1.07 0.00 0.00 179.97 179.90 2a24 h ILE 25 N 0.00 0.00 0.00 2.04 2.10 -1.88 -2.70 117.51 117.07 2a24 h ILE 25 Ca 0.06 -0.29 -0.09 0.00 1.08 0.00 0.00 64.86 65.62 2a24 h ILE 25 Cb 0.41 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2a24 h ILE 25 CO -0.00 0.00 -0.42 0.71 -1.08 0.00 0.00 178.15 177.36 2a24 h THR 26 N 0.00 1.12 0.00 2.19 1.35 -1.11 0.31 112.91 116.77 2a24 h THR 26 Ca 0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2a24 h THR 26 Cb 0.37 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2a24 h THR 26 CO 0.00 0.41 -0.59 -0.62 -0.25 0.00 0.00 175.52 174.47 2a24 n GLU 27 N -3.78 0.28 -0.09 4.72 1.02 -1.02 -2.65 120.64 119.12 2a24 n GLU 27 Ca -0.01 0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2a24 n GLU 27 Cb 0.49 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a24 n LEU 28 N -2.09 1.92 -0.10 -4.62 4.77 -0.93 -4.81 117.00 111.15 2a24 n LEU 28 Ca 0.03 0.38 -0.23 0.00 -0.03 0.00 0.00 56.01 56.16 2a24 n LEU 28 Cb 0.43 -0.76 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 2a24 n LEU 28 CO 0.36 -0.26 -1.10 -0.38 -1.33 0.00 0.00 177.39 174.68 2a24 n ILE 29 N -4.47 1.57 0.00 -0.08 5.41 0.10 -4.91 119.36 116.99 2a24 n ILE 29 Ca -0.15 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.18 2a24 n ILE 29 Cb 0.50 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 1.73 0.59 3.74 7.39 0.00 -0.72 -0.18 105.19 117.75 2a24 n GLY 30 Ca -0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.06 3.41 0.50 1.61 2.02 -1.26 -4.72 117.35 117.84 2a24 s TYR 31 Ca 0.00 1.42 -0.20 0.00 -0.37 0.00 0.00 57.07 57.91 2a24 s TYR 31 Cb 0.00 -3.45 -0.08 0.00 -0.40 0.00 0.00 41.96 38.04 2a24 s TYR 31 CO 0.00 -1.25 1.08 -1.58 -1.57 0.00 0.00 175.55 172.22 2a24 s HIS 32 N -0.14 2.89 0.21 2.71 2.46 -1.26 -3.86 115.29 118.31 2a24 s HIS 32 Ca 0.53 1.57 -0.13 0.00 0.47 0.00 0.00 55.06 57.50 2a24 s HIS 32 Cb -0.33 -3.17 0.26 0.00 -0.13 0.00 0.00 32.58 29.21 2a24 s HIS 32 CO 0.38 -1.12 1.63 -1.00 -2.47 0.00 0.00 174.74 172.16 2a24 h PRO 33 N 1.53 0.02 0.00 2.88 0.13 -1.90 0.11 132.00 134.77 2a24 h PRO 33 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2a24 h PRO 33 Cb 1.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a24 h PRO 33 CO 0.59 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.42 2a24 h GLU 34 N 0.02 0.00 0.00 0.86 9.09 -1.91 -2.08 114.58 120.55 2a24 h GLU 34 Ca 0.32 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.62 2a24 h GLU 34 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2a24 h GLU 34 CO -0.64 0.00 -0.48 0.93 0.05 0.00 0.00 179.01 178.87 2a24 h GLU 35 N 0.00 0.00 0.00 1.06 4.39 -1.18 -3.32 114.58 115.52 2a24 h GLU 35 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2a24 h GLU 35 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2a24 h GLU 35 CO 0.00 0.48 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.79 2a24 h LEU 36 N 0.00 0.00 -9.85 1.33 3.38 -0.81 -3.42 115.31 105.93 2a24 h LEU 36 Ca -0.00 -0.76 -0.51 0.00 0.09 0.00 0.00 57.88 56.69 2a24 h LEU 36 Cb 1.28 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.07 2a24 h LEU 36 CO 0.06 1.16 0.55 -1.48 0.09 0.00 0.00 178.44 178.82 2a24 s LEU 37 N -8.10 4.46 0.00 1.67 0.05 -0.83 -2.95 118.68 112.98 2a24 s LEU 37 Ca -0.22 2.46 0.00 0.00 0.05 0.00 0.00 54.13 56.42 2a24 s LEU 37 Cb 0.00 -3.68 0.00 0.00 -2.05 0.00 0.00 46.19 40.46 2a24 s LEU 37 CO 0.62 -0.37 0.00 0.61 -0.55 0.00 0.00 176.35 176.66 2a24 n GLY 38 N 0.96 2.87 3.91 -3.48 0.00 -0.44 -4.85 105.19 104.15 2a24 n GLY 38 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.57 2.51 -0.14 1.61 1.70 -1.15 -5.04 118.95 117.85 2a24 s ARG 39 Ca 0.00 -1.58 -0.29 0.00 -0.47 0.00 0.00 55.73 53.39 2a24 s ARG 39 Cb 0.00 -2.40 -0.01 0.00 -0.57 0.00 0.00 34.95 31.97 2a24 s ARG 39 CO 0.00 -0.32 1.12 -1.54 -1.08 0.00 0.00 175.30 173.48 2a24 s SER 40 N -4.22 7.09 0.39 -2.89 1.04 -1.26 -4.15 113.70 109.69 2a24 s SER 40 Ca 0.48 1.59 0.18 0.00 0.48 0.00 0.00 55.95 58.68 2a24 s SER 40 Cb -0.04 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.30 2a24 s SER 40 CO 0.28 -0.61 1.79 0.00 0.98 0.00 0.00 173.24 175.68 2a24 h ALA 41 N 7.53 1.10 0.00 5.32 0.00 -1.86 -2.87 119.26 128.47 2a24 h ALA 41 Ca -0.27 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2a24 h ALA 41 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2a24 h ALA 41 CO 0.92 0.45 0.00 1.88 0.00 0.00 0.00 179.25 182.50 2a24 h TYR 42 N 0.00 0.00 0.00 0.00 0.05 -1.90 -0.06 116.97 115.05 2a24 h TYR 42 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2a24 h TYR 42 Cb 0.80 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 2a24 h TYR 42 CO 0.00 0.00 -0.13 0.93 -1.05 0.00 0.00 178.16 177.91 2a24 h GLU 43 N 0.00 0.00 0.00 4.88 5.08 -1.92 -3.22 114.58 119.40 2a24 h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a24 h GLU 43 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2a24 h GLU 43 CO 0.00 0.13 -0.38 1.97 -1.00 0.00 0.00 179.01 179.73 2a24 n PHE 44 N -3.66 0.00 -1.50 4.33 1.16 -0.82 -4.97 117.46 111.99 2a24 n PHE 44 Ca -0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.16 2a24 n PHE 44 Cb 0.25 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.10 2a24 n PHE 44 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2a24 n TYR 45 N 0.00 2.94 -0.73 2.97 4.19 -0.10 -4.25 117.16 122.19 2a24 n TYR 45 Ca 0.00 -3.04 0.00 0.00 3.31 0.00 0.00 57.90 58.17 2a24 n TYR 45 Cb 0.65 -2.52 0.00 0.00 0.49 0.00 0.00 39.34 37.96 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 2a24 n HIS 46 N 4.77 -1.99 -0.10 2.98 8.25 -1.26 -4.31 115.22 123.56 2a24 n HIS 46 Ca 0.66 1.06 -0.18 0.00 -0.26 0.00 0.00 57.72 58.99 2a24 n HIS 46 Cb 0.31 -2.19 -0.08 0.00 1.12 0.00 0.00 29.99 29.15 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 -0.80 0.80 0.22 -1.41 0.00 -1.26 -4.08 120.51 113.97 2a24 n ALA 47 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 53.44 52.92 2a24 n ALA 47 Cb 0.00 -0.24 0.18 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.44 3.14 -0.54 0.00 -0.00 -1.26 -4.29 117.00 109.61 2a24 n LEU 48 Ca -0.29 -1.53 0.06 0.00 -0.00 0.00 0.00 56.01 54.25 2a24 n LEU 48 Cb 0.61 -0.21 0.14 0.00 -0.00 0.00 0.00 43.42 43.96 2a24 n LEU 48 CO 0.14 0.69 0.38 -0.67 -0.00 0.00 0.00 177.39 177.93 2a24 n ASP 49 N 1.18 1.67 0.04 1.45 2.03 -1.26 -4.73 116.55 116.92 2a24 n ASP 49 Ca 0.16 -3.23 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 2a24 n ASP 49 Cb 0.52 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2a24 h SER 50 N 0.60 0.63 -0.50 1.67 0.02 -1.75 -3.02 113.55 111.21 2a24 h SER 50 Ca -0.03 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2a24 h SER 50 Cb 1.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2a24 h SER 50 CO 0.01 1.21 0.28 -0.08 -1.14 0.00 0.00 176.83 177.11 2a24 h GLU 51 N 0.34 0.70 -0.26 3.45 4.22 -1.92 -0.86 114.58 120.24 2a24 h GLU 51 Ca -0.05 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.32 2a24 h GLU 51 Cb 1.41 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2a24 h GLU 51 CO 0.15 0.54 0.16 -0.91 -2.18 0.00 0.00 179.01 176.76 2a24 h ASN 52 N 0.67 0.26 -0.05 1.04 2.35 -1.90 -2.24 115.58 115.71 2a24 h ASN 52 Ca 0.18 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 2a24 h ASN 52 Cb 0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2a24 h ASN 52 CO -0.03 0.19 -0.08 -0.03 -1.65 0.00 0.00 177.43 175.83 2a24 h MET 53 N 0.32 0.29 -0.54 0.81 4.05 -1.37 -2.50 114.93 116.00 2a24 h MET 53 Ca 0.10 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2a24 h MET 53 Cb -0.01 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 2a24 h MET 53 CO -0.04 0.39 0.35 1.15 0.23 0.00 0.00 176.91 178.98 2a24 h THR 54 N 0.28 1.14 -0.35 -0.77 2.02 -0.56 -1.01 112.91 113.66 2a24 h THR 54 Ca 0.06 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2a24 h THR 54 Cb 0.33 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2a24 h THR 54 CO 0.02 0.14 0.17 0.11 0.37 0.00 0.00 175.52 176.32 2a24 h LYS 55 N 0.72 0.50 -0.96 6.66 6.56 -1.13 -1.28 116.57 127.64 2a24 h LYS 55 Ca 0.20 -0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.76 2a24 h LYS 55 Cb -0.06 -0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 31.45 2a24 h LYS 55 CO -0.04 0.46 0.62 0.77 -2.06 0.00 0.00 179.45 179.20 2a24 h SER 56 N 0.42 1.03 -0.17 0.86 0.02 -1.16 0.57 113.55 115.13 2a24 h SER 56 Ca 0.12 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2a24 h SER 56 Cb 0.12 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2a24 h SER 56 CO -0.01 0.69 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.62 2a24 h HIS 57 N 1.19 0.32 -0.36 3.45 -0.00 -0.83 0.57 115.15 119.49 2a24 h HIS 57 Ca 0.39 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.70 2a24 h HIS 57 Cb 0.05 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2a24 h HIS 57 CO -0.01 0.52 0.19 1.96 -0.00 0.00 0.00 177.93 180.59 2a24 h GLN 58 N 0.04 0.51 -0.45 5.26 1.08 -0.81 -2.60 115.11 118.14 2a24 h GLN 58 Ca 0.05 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 2a24 h GLN 58 Cb 0.39 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2a24 h GLN 58 CO 0.01 0.44 -0.09 -0.97 -0.95 0.00 0.00 178.83 177.27 2a24 h ASN 59 N 0.45 0.86 -0.83 1.46 -1.24 -0.87 -3.15 115.58 112.27 2a24 h ASN 59 Ca 0.13 -0.35 0.06 0.00 0.71 0.00 0.00 56.30 56.85 2a24 h ASN 59 Cb 0.08 -0.23 -0.06 0.00 0.73 0.00 0.00 38.32 38.84 2a24 h ASN 59 CO -0.02 1.01 0.51 0.25 -1.29 0.00 0.00 177.43 177.89 2a24 h LEU 60 N 0.70 0.79 -2.32 0.34 5.85 -0.73 -1.07 115.31 118.87 2a24 h LEU 60 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2a24 h LEU 60 Cb 0.63 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2a24 h LEU 60 CO 0.04 0.50 -0.04 0.00 -0.34 0.00 0.00 178.44 178.61 2a24 n THR 62 N -3.75 2.35 0.09 0.00 -1.04 -0.46 -4.70 114.28 106.78 2a24 n THR 62 Ca -0.03 -2.04 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 2a24 n THR 62 Cb 0.13 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.65 0.00 0.00 -2.82 4.76 -0.68 -5.06 118.16 113.70 2a24 n LYS 63 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2a24 n LYS 63 Cb 0.93 -0.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.96 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 2.09 3.09 2.78 0.72 0.00 -0.30 -5.01 105.19 108.56 2a24 n GLY 64 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.02 -0.06 1.61 -0.44 -1.25 0.40 119.66 119.90 2a24 s GLN 65 Ca 0.00 0.31 -0.05 0.00 -2.50 0.00 0.00 55.36 53.13 2a24 s GLN 65 Cb 0.00 -0.31 0.02 0.00 -1.64 0.00 0.00 33.01 31.08 2a24 s GLN 65 CO 0.00 -0.23 0.15 0.54 0.50 0.00 0.00 175.29 176.26 2a24 s VAL 66 N 1.52 -0.01 -0.56 1.34 0.11 -0.72 -5.02 120.40 117.05 2a24 s VAL 66 Ca -0.04 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 2a24 s VAL 66 Cb -0.12 -0.23 0.13 0.00 -1.53 0.00 0.00 36.38 34.63 2a24 s VAL 66 CO -0.04 0.01 0.55 -0.69 -3.33 0.00 0.00 175.10 171.61 2a24 s VAL 67 N 0.30 5.14 -0.35 2.04 1.01 -1.26 -1.22 120.40 126.06 2a24 s VAL 67 Ca -0.02 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 2a24 s VAL 67 Cb -0.03 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2a24 s VAL 67 CO -0.01 -0.93 0.56 -0.44 0.00 0.00 0.00 175.10 174.28 2a24 s SER 68 N 3.56 6.37 1.35 3.32 0.01 -0.04 -5.00 113.70 123.28 2a24 s SER 68 Ca 0.05 0.06 -0.22 0.00 1.31 0.00 0.00 55.95 57.15 2a24 s SER 68 Cb -0.28 -2.29 0.34 0.00 0.21 0.00 0.00 66.02 64.00 2a24 s SER 68 CO 0.03 -0.52 1.00 0.61 0.41 0.00 0.00 173.24 174.78 2a24 n GLY 69 N 4.72 -3.29 3.52 3.44 0.00 -1.26 -0.19 105.19 112.14 2a24 n GLY 69 Ca -0.03 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -5.28 1.05 -2.95 1.61 6.02 -1.24 -4.37 117.38 112.22 2a24 n GLN 70 Ca 0.15 0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 57.11 2a24 n GLN 70 Cb 0.60 -2.87 0.03 0.00 1.02 0.00 0.00 30.24 29.03 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 9.84 2.33 -1.24 1.08 -0.85 -0.28 -4.70 117.35 123.53 2a24 s TYR 71 Ca 1.07 -0.44 -0.19 0.00 -0.52 0.00 0.00 57.07 56.99 2a24 s TYR 71 Cb -0.54 -2.41 0.06 0.00 0.38 0.00 0.00 41.96 39.44 2a24 s TYR 71 CO 0.37 -0.77 1.70 1.03 -1.52 0.00 0.00 175.55 176.35 2a24 s ARG 72 N -4.54 3.83 0.40 -3.49 1.81 -1.26 -2.96 118.95 112.75 2a24 s ARG 72 Ca 0.58 -1.78 -0.18 0.00 -1.72 0.00 0.00 55.73 52.63 2a24 s ARG 72 Cb -0.08 -5.49 -0.10 0.00 -0.45 0.00 0.00 34.95 28.83 2a24 s ARG 72 CO 0.36 -2.34 0.88 1.41 -0.68 0.00 0.00 175.30 174.93 2a24 s MET 73 N 4.50 4.11 -0.10 3.54 -2.45 0.61 -4.54 119.30 124.97 2a24 s MET 73 Ca 0.53 0.93 -0.05 0.00 -1.25 0.00 0.00 55.69 55.85 2a24 s MET 73 Cb 0.03 -2.27 -0.04 0.00 1.25 0.00 0.00 34.83 33.80 2a24 s MET 73 CO 0.05 0.01 0.11 -1.17 1.05 0.00 0.00 175.02 175.06 2a24 s LEU 74 N -3.23 4.17 0.54 4.11 2.96 -1.26 -0.29 118.68 125.67 2a24 s LEU 74 Ca 0.59 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.96 2a24 s LEU 74 Cb -0.10 -2.06 0.07 0.00 0.50 0.00 0.00 46.19 44.60 2a24 s LEU 74 CO 0.17 0.38 0.73 0.00 -1.32 0.00 0.00 176.35 176.32 2a24 s ALA 75 N -1.03 4.67 -0.24 5.97 0.00 0.10 -4.87 121.76 126.37 2a24 s ALA 75 Ca 0.16 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 50.11 2a24 s ALA 75 Cb -0.12 -1.48 0.22 0.00 0.00 0.00 0.00 23.12 21.74 2a24 s ALA 75 CO 0.05 -0.72 1.23 1.17 0.00 0.00 0.00 175.76 177.49 2a24 n LYS 76 N -2.14 1.53 -2.70 0.00 4.81 0.75 -3.76 118.16 116.65 2a24 n LYS 76 Ca 0.14 -0.96 -0.02 0.00 -0.87 0.00 0.00 58.31 56.60 2a24 n LYS 76 Cb 0.61 -1.43 0.12 0.00 0.02 0.00 0.00 35.03 34.35 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 0.01 -1.57 -1.92 5.64 1.44 -1.26 -4.97 115.22 112.60 2a24 n HIS 77 Ca 0.17 -1.82 -0.20 0.00 -2.01 0.00 0.00 57.72 53.87 2a24 n HIS 77 Cb 0.82 1.27 -0.05 0.00 0.12 0.00 0.00 29.99 32.15 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 -1.30 0.88 3.89 -1.39 0.00 -1.25 -4.96 105.19 101.07 2a24 n GLY 78 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.41 1.70 -0.03 -0.02 0.00 -1.26 -4.94 107.32 100.36 2a24 s GLY 79 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.20 2a24 s GLY 79 CO 0.00 -1.51 -0.22 -0.19 0.00 0.00 0.00 173.10 171.18 2a24 s TYR 80 N -2.25 2.04 0.00 1.90 1.51 0.76 0.03 117.35 121.34 2a24 s TYR 80 Ca 0.41 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2a24 s TYR 80 Cb -0.07 -1.33 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 2a24 s TYR 80 CO 0.28 -0.10 -0.19 0.08 -1.11 0.00 0.00 175.55 174.51 2a24 s VAL 81 N -0.34 1.50 -0.67 0.71 1.01 0.60 -0.11 120.40 123.10 2a24 s VAL 81 Ca 0.04 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 2a24 s VAL 81 Cb -0.10 -1.27 0.13 0.00 0.00 0.00 0.00 36.38 35.14 2a24 s VAL 81 CO 0.01 0.36 0.75 0.26 0.00 0.00 0.00 175.10 176.47 2a24 s TRP 82 N -0.53 3.19 -0.11 5.22 0.52 -1.25 -0.28 118.94 125.69 2a24 s TRP 82 Ca 0.07 -1.26 -0.01 0.00 0.02 0.00 0.00 56.10 54.92 2a24 s TRP 82 Cb -0.08 -3.99 -0.03 0.00 -1.15 0.00 0.00 33.47 28.23 2a24 s TRP 82 CO -0.00 -1.23 -0.05 -0.51 0.02 0.00 0.00 176.95 175.17 2a24 s LEU 83 N 2.07 3.20 -0.19 2.99 1.02 -1.15 -3.84 118.68 122.77 2a24 s LEU 83 Ca 0.14 -0.08 -0.08 0.00 0.02 0.00 0.00 54.13 54.14 2a24 s LEU 83 Cb -0.20 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2a24 s LEU 83 CO 0.01 0.27 0.08 -0.70 0.02 0.00 0.00 176.35 176.03 2a24 s GLU 84 N -0.24 4.02 -0.08 1.70 2.12 0.09 -1.12 118.70 125.19 2a24 s GLU 84 Ca 0.04 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2a24 s GLU 84 Cb -0.13 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2a24 s GLU 84 CO 0.02 0.26 -0.16 0.99 -0.54 0.00 0.00 175.26 175.83 2a24 s THR 85 N 0.44 1.46 -0.95 -1.70 2.01 0.73 0.80 115.64 118.43 2a24 s THR 85 Ca 0.04 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 2a24 s THR 85 Cb -0.12 -1.31 0.22 0.00 0.01 0.00 0.00 72.50 71.30 2a24 s THR 85 CO 0.00 0.43 0.96 -1.10 -0.69 0.00 0.00 174.62 174.22 2a24 s GLN 86 N 0.65 3.81 -0.45 4.92 -0.21 -0.50 -0.86 119.66 127.02 2a24 s GLN 86 Ca -0.14 -2.60 -0.27 0.00 0.02 0.00 0.00 55.36 52.37 2a24 s GLN 86 Cb -0.16 -4.58 -0.04 0.00 1.00 0.00 0.00 33.01 29.23 2a24 s GLN 86 CO 0.04 -1.37 2.04 0.20 -2.12 0.00 0.00 175.29 174.08 2a24 s GLY 87 N 2.16 0.21 -0.49 3.09 0.00 -0.36 -3.56 107.32 108.38 2a24 s GLY 87 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 2a24 s GLY 87 CO -0.08 3.63 0.31 -1.59 0.00 0.00 0.00 173.10 175.37 2a24 s THR 88 N 9.29 3.63 -0.07 0.90 2.01 0.09 -1.76 115.64 129.72 2a24 s THR 88 Ca 0.83 -2.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.34 2a24 s THR 88 Cb -0.19 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2a24 s THR 88 CO 0.27 -0.77 0.62 -0.69 -0.69 0.00 0.00 174.62 173.37 2a24 s VAL 89 N 0.81 5.06 0.01 3.82 1.01 0.16 0.24 120.40 131.51 2a24 s VAL 89 Ca 0.11 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2a24 s VAL 89 Cb -0.22 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2a24 s VAL 89 CO -0.03 0.30 -0.01 -0.51 0.00 0.00 0.00 175.10 174.85 2a24 s ILE 90 N 0.58 4.07 -0.14 2.22 1.10 0.05 -4.79 121.20 124.29 2a24 s ILE 90 Ca 0.33 -0.67 -0.05 0.00 -0.51 0.00 0.00 60.65 59.75 2a24 s ILE 90 Cb -0.17 -2.83 -0.03 0.00 0.15 0.00 0.00 42.46 39.58 2a24 s ILE 90 CO 0.16 0.34 0.02 -0.31 -2.11 0.00 0.00 174.94 173.04 2a24 s TYR 91 N -1.10 3.17 0.13 3.50 1.51 -1.26 -4.05 117.35 119.24 2a24 s TYR 91 Ca 0.20 0.01 -0.31 0.00 -1.01 0.00 0.00 57.07 55.96 2a24 s TYR 91 Cb -0.11 -1.95 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 2a24 s TYR 91 CO 0.11 0.21 1.64 1.21 -1.11 0.00 0.00 175.55 177.62 2a24 s ASN 92 N -0.07 6.55 0.46 2.29 3.84 -0.44 -4.87 114.94 122.71 2a24 s ASN 92 Ca 0.04 2.61 0.13 0.00 0.21 0.00 0.00 52.86 55.85 2a24 s ASN 92 Cb -0.13 -2.58 1.08 0.00 -0.55 0.00 0.00 41.25 39.08 2a24 s ASN 92 CO 0.02 -0.88 2.08 -0.65 -2.79 0.00 0.00 177.10 174.87 2a24 h PRO 93 N 7.59 0.28 0.00 0.43 0.11 -1.97 0.20 132.00 138.63 2a24 h PRO 93 Ca -0.43 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 2a24 h PRO 93 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2a24 h PRO 93 CO 0.93 0.18 -1.32 0.54 -0.21 0.00 0.00 178.00 178.12 2a24 n ARG 94 N -4.49 0.54 0.25 1.05 1.74 -1.26 -4.55 116.66 109.94 2a24 n ARG 94 Ca 0.02 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.52 2a24 n ARG 94 Cb 0.16 -1.49 0.51 0.00 -1.02 0.00 0.00 32.46 30.62 2a24 n ARG 94 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2a24 h ASN 95 N -1.00 0.00 -4.56 0.55 -0.00 -1.98 -3.46 115.58 105.13 2a24 h ASN 95 Ca -0.18 0.00 -0.41 0.00 -0.00 0.00 0.00 56.30 55.71 2a24 h ASN 95 Cb 1.10 0.00 0.06 0.00 -0.00 0.00 0.00 38.32 39.48 2a24 h ASN 95 CO -0.11 0.06 -0.61 0.18 -0.00 0.00 0.00 177.43 176.95 2a24 n LEU 96 N -3.16 -2.66 -4.73 0.34 4.77 0.70 -4.95 117.00 107.31 2a24 n LEU 96 Ca 0.01 -0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 2a24 n LEU 96 Cb 0.39 -2.95 -0.09 0.00 -2.33 0.00 0.00 43.42 38.44 2a24 n LEU 96 CO 0.30 0.24 -0.26 0.00 -1.33 0.00 0.00 177.39 176.34 2a24 s GLN 97 N -5.74 3.23 -0.51 3.23 -2.07 -1.26 -4.73 119.66 111.82 2a24 s GLN 97 Ca 0.32 -0.32 -0.03 0.00 -1.82 0.00 0.00 55.36 53.51 2a24 s GLN 97 Cb -0.14 -2.96 0.15 0.00 -1.09 0.00 0.00 33.01 28.97 2a24 s GLN 97 CO 0.39 0.67 2.52 -0.35 -1.32 0.00 0.00 175.29 177.20 2a24 n PRO 98 N 2.26 2.39 0.08 9.60 -0.04 -1.26 -1.33 135.00 146.69 2a24 n PRO 98 Ca -0.19 -2.48 -0.08 0.00 -0.04 0.00 0.00 63.50 60.72 2a24 n PRO 98 Cb 0.54 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 2a24 n PRO 98 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2a24 h GLN 99 N 2.74 0.06 -5.03 0.54 4.15 -1.88 -3.40 115.11 112.28 2a24 h GLN 99 Ca 0.42 -0.08 -0.70 0.00 0.77 0.00 0.00 58.65 59.05 2a24 h GLN 99 Cb 0.64 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.19 2a24 h GLN 99 CO 0.99 0.98 1.20 0.00 -1.93 0.00 0.00 178.83 180.07 2a24 s ILE 101 N 2.45 5.21 -0.47 0.00 1.01 -1.19 -0.77 121.20 127.44 2a24 s ILE 101 Ca 0.39 -1.34 -0.28 0.00 0.00 0.00 0.00 60.65 59.43 2a24 s ILE 101 Cb -0.03 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 2a24 s ILE 101 CO -0.04 -0.78 1.65 -0.04 0.00 0.00 0.00 174.94 175.73 2a24 s MET 102 N 1.65 3.20 -0.65 2.79 -1.94 0.14 -2.23 119.30 122.26 2a24 s MET 102 Ca 0.04 0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 54.80 2a24 s MET 102 Cb -0.28 -4.19 0.17 0.00 2.01 0.00 0.00 34.83 32.53 2a24 s MET 102 CO 0.04 -2.04 0.57 0.00 -0.01 0.00 0.00 175.02 173.59 2a24 s VAL 104 N 0.79 4.32 -0.30 0.00 1.01 -1.23 -1.05 120.40 123.94 2a24 s VAL 104 Ca 0.11 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 2a24 s VAL 104 Cb -0.20 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 2a24 s VAL 104 CO -0.03 -1.10 0.19 0.21 0.00 0.00 0.00 175.10 174.36 2a24 s ASN 105 N 2.74 5.88 -0.25 3.32 3.84 -0.67 -1.41 114.94 128.38 2a24 s ASN 105 Ca 0.35 -0.24 -0.09 0.00 0.21 0.00 0.00 52.86 53.09 2a24 s ASN 105 Cb -0.11 -2.09 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 2a24 s ASN 105 CO 0.22 -0.13 0.14 -0.31 -2.79 0.00 0.00 177.10 174.23 2a24 s TYR 106 N 1.71 3.21 -0.59 0.43 2.02 0.24 -2.35 117.35 122.03 2a24 s TYR 106 Ca 0.06 -0.00 -0.16 0.00 -0.37 0.00 0.00 57.07 56.60 2a24 s TYR 106 Cb -0.17 -2.28 0.14 0.00 -0.40 0.00 0.00 41.96 39.25 2a24 s TYR 106 CO 0.09 -0.12 0.57 0.08 -1.57 0.00 0.00 175.55 174.61 2a24 s VAL 107 N 1.38 5.19 -0.23 0.71 1.01 -1.12 -0.73 120.40 126.61 2a24 s VAL 107 Ca 0.06 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 2a24 s VAL 107 Cb -0.15 -4.39 -0.16 0.00 0.00 0.00 0.00 36.38 31.69 2a24 s VAL 107 CO 0.06 -0.94 -0.00 0.18 0.00 0.00 0.00 175.10 174.40 2a24 n LEU 108 N 5.29 1.89 -4.81 3.92 4.32 -1.25 -4.15 117.00 122.21 2a24 n LEU 108 Ca -0.10 0.40 -0.30 0.00 -0.02 0.00 0.00 56.01 56.00 2a24 n LEU 108 Cb 0.41 -0.91 0.22 0.00 -1.62 0.00 0.00 43.42 41.52 2a24 n LEU 108 CO 0.52 0.33 0.79 -0.44 -1.22 0.00 0.00 177.39 177.37 2a24 s SER 109 N -6.99 2.05 0.50 -1.43 0.01 -1.25 -5.06 113.70 101.53 2a24 s SER 109 Ca -0.31 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2a24 s SER 109 Cb 0.09 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.04 2a24 s SER 109 CO 0.54 -3.40 0.42 -1.84 0.41 0.00 0.00 173.24 169.37 2a24 n GLU 110 N -4.22 0.37 -3.67 12.44 0.00 -1.26 -4.78 120.64 119.52 2a24 n GLU 110 Ca 0.16 -1.18 -0.37 0.00 0.00 0.00 0.00 57.16 55.77 2a24 n GLU 110 Cb 0.59 -0.26 -0.12 0.00 0.00 0.00 0.00 31.44 31.66 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 -1.10 4.89 -2.54 3.84 1.01 -1.26 -4.03 121.20 122.01 2a24 s ILE 111 Ca 0.28 0.03 0.28 0.00 0.00 0.00 0.00 60.65 61.23 2a24 s ILE 111 Cb -0.02 -3.31 0.52 0.00 0.01 0.00 0.00 42.46 39.66 2a24 s ILE 111 CO 0.18 0.30 1.70 -0.62 0.00 0.00 0.00 174.94 176.51