#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 3.15 -0.02 -0.18 2.01 -1.26 -1.99 115.64 117.35 2a24 s THR 7 Ca 0.00 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.07 2a24 s THR 7 Cb 0.00 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.19 2a24 s THR 7 CO 0.00 0.41 -0.08 0.12 -0.69 0.00 0.00 174.62 174.38 2a24 s PHE 8 N -0.91 0.82 -0.52 4.92 5.36 0.35 -4.81 117.98 123.19 2a24 s PHE 8 Ca 0.15 -0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 2a24 s PHE 8 Cb -0.11 -0.59 0.10 0.00 -0.34 0.00 0.00 43.02 42.09 2a24 s PHE 8 CO 0.05 -0.08 0.48 -1.17 -1.46 0.00 0.00 175.22 173.04 2a24 s LEU 9 N 0.16 5.86 -1.26 6.12 1.98 -1.26 0.50 118.68 130.78 2a24 s LEU 9 Ca -0.02 -1.54 -0.15 0.00 -2.89 0.00 0.00 54.13 49.53 2a24 s LEU 9 Cb -0.07 -2.22 0.13 0.00 0.66 0.00 0.00 46.19 44.69 2a24 s LEU 9 CO 0.00 -0.79 1.62 -1.20 -1.89 0.00 0.00 176.35 174.09 2a24 n SER 10 N 5.34 5.05 -4.57 3.68 7.64 0.51 -4.05 113.62 127.21 2a24 n SER 10 Ca -0.13 -2.96 -0.41 0.00 1.01 0.00 0.00 58.87 56.38 2a24 n SER 10 Cb 0.42 -1.63 -0.03 0.00 -1.01 0.00 0.00 64.21 61.96 2a24 n SER 10 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a24 s ARG 11 N 2.51 3.03 -0.21 1.43 3.00 -1.25 -2.34 118.95 125.12 2a24 s ARG 11 Ca 0.47 0.86 -0.13 0.00 -1.00 0.00 0.00 55.73 55.93 2a24 s ARG 11 Cb 0.01 -4.26 -0.05 0.00 0.00 0.00 0.00 34.95 30.66 2a24 s ARG 11 CO 0.03 -2.23 0.25 -1.01 0.00 0.00 0.00 175.30 172.33 2a24 s HIS 12 N 7.60 3.37 -0.12 5.12 3.76 0.13 -1.02 115.29 134.13 2a24 s HIS 12 Ca 0.68 0.42 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 2a24 s HIS 12 Cb -0.15 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 2a24 s HIS 12 CO 0.26 0.10 -0.18 -1.54 -0.85 0.00 0.00 174.74 172.53 2a24 s SER 13 N 0.87 3.59 0.04 1.40 1.04 -1.02 0.56 113.70 120.18 2a24 s SER 13 Ca 0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2a24 s SER 13 Cb -0.13 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2a24 s SER 13 CO 0.05 0.16 0.00 0.23 0.98 0.00 0.00 173.24 174.65 2a24 n MET 14 N 3.56 0.00 -0.13 4.02 2.81 -0.29 -2.43 117.12 124.65 2a24 n MET 14 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2a24 n MET 14 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 2.17 3.48 -1.57 7.83 5.75 -1.26 -4.74 116.55 128.20 2a24 n ASP 15 Ca 0.00 -2.03 -0.19 0.00 -0.01 0.00 0.00 54.79 52.56 2a24 n ASP 15 Cb 0.00 -0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 39.38 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 0.80 -1.35 0.00 0.11 0.00 -1.02 -4.78 117.12 110.88 2a24 n MET 16 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 57.70 58.82 2a24 n MET 16 Cb 0.48 -5.47 0.00 0.00 0.00 0.00 0.00 33.22 28.23 2a24 n MET 16 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2a24 n LYS 17 N -2.52 1.47 -4.50 2.12 2.85 -1.08 -3.68 118.16 112.81 2a24 n LYS 17 Ca -0.20 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.76 2a24 n LYS 17 Cb 0.63 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.84 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 0.15 2.37 -0.07 5.58 0.40 -1.24 -2.43 117.98 122.74 2a24 s PHE 18 Ca 0.00 -1.20 -0.17 0.00 -0.60 0.00 0.00 56.93 54.96 2a24 s PHE 18 Cb 0.00 -1.66 -0.30 0.00 0.51 0.00 0.00 43.02 41.58 2a24 s PHE 18 CO 0.00 -0.58 0.71 1.15 0.70 0.00 0.00 175.22 177.20 2a24 h THR 19 N 5.90 1.16 -1.88 0.64 2.02 -1.40 -3.31 112.91 116.04 2a24 h THR 19 Ca -0.33 -2.48 0.04 0.00 0.77 0.00 0.00 66.41 64.40 2a24 h THR 19 Cb 1.18 2.88 -0.23 0.00 -1.74 0.00 0.00 68.15 70.24 2a24 h THR 19 CO 0.53 0.74 0.13 -0.47 0.37 0.00 0.00 175.52 176.82 2a24 s TYR 20 N -2.49 -0.92 -0.01 3.16 5.04 -1.26 -4.98 117.35 115.90 2a24 s TYR 20 Ca -0.17 1.86 0.04 0.00 -2.44 0.00 0.00 57.07 56.36 2a24 s TYR 20 Cb 0.04 0.54 -0.03 0.00 0.35 0.00 0.00 41.96 42.85 2a24 s TYR 20 CO 0.82 -0.45 -0.10 0.00 -1.34 0.00 0.00 175.55 174.48 2a24 s ASP 22 N -1.25 6.25 0.61 0.00 -1.08 -1.26 -4.82 116.67 115.13 2a24 s ASP 22 Ca 0.15 2.21 0.31 0.00 -0.52 0.00 0.00 52.55 54.69 2a24 s ASP 22 Cb -0.11 -2.59 1.69 0.00 -1.46 0.00 0.00 42.92 40.45 2a24 s ASP 22 CO 0.05 -0.85 2.05 0.44 0.52 0.00 0.00 175.17 177.38 2a24 h ASP 23 N 2.01 0.00 0.61 -0.34 5.19 -1.98 -1.09 116.42 120.82 2a24 h ASP 23 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2a24 h ASP 23 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2a24 h ASP 23 CO 0.60 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 177.26 2a24 n ARG 24 N -3.53 0.11 0.08 3.56 1.74 -1.26 -2.94 116.66 114.42 2a24 n ARG 24 Ca 0.02 0.35 0.04 0.00 -0.77 0.00 0.00 57.85 57.49 2a24 n ARG 24 Cb 0.38 -1.71 0.45 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.00 1.11 0.00 0.55 2.10 -1.47 0.65 117.51 120.44 2a24 h ILE 25 Ca 0.00 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.60 2a24 h ILE 25 Cb 0.30 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 2a24 h ILE 25 CO 0.00 0.13 0.00 0.74 -1.08 0.00 0.00 178.15 177.94 2a24 h THR 26 N 0.37 0.00 0.00 2.19 2.02 -1.37 0.20 112.91 116.32 2a24 h THR 26 Ca 0.09 -0.34 -0.45 0.00 0.77 0.00 0.00 66.41 66.48 2a24 h THR 26 Cb 0.08 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2a24 h THR 26 CO -0.01 0.00 -2.49 -0.62 0.37 0.00 0.00 175.52 172.77 2a24 n GLU 27 N -2.56 0.60 0.01 6.66 1.02 -0.29 -3.39 120.64 122.68 2a24 n GLU 27 Ca 0.02 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2a24 n GLU 27 Cb 0.26 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.82 -0.05 0.00 -4.62 3.38 -0.95 -3.39 115.31 108.86 2a24 h LEU 28 Ca -0.67 -0.42 -0.44 0.00 0.09 0.00 0.00 57.88 56.45 2a24 h LEU 28 Cb 1.66 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.36 2a24 h LEU 28 CO -0.36 0.40 -2.40 -0.38 0.09 0.00 0.00 178.44 175.79 2a24 n ILE 29 N -4.90 1.53 0.00 1.22 5.41 -0.17 -4.88 119.36 117.56 2a24 n ILE 29 Ca -0.08 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.30 2a24 n ILE 29 Cb 0.24 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 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 1.36 1.66 3.84 7.39 0.00 0.52 -0.13 105.19 119.82 2a24 n GLY 30 Ca -0.51 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.92 3.56 0.20 1.61 2.02 -1.23 -4.75 117.35 116.84 2a24 s TYR 31 Ca 0.00 1.19 -0.30 0.00 -0.37 0.00 0.00 57.07 57.59 2a24 s TYR 31 Cb 0.00 -2.48 -0.08 0.00 -0.40 0.00 0.00 41.96 39.00 2a24 s TYR 31 CO 0.00 0.31 1.06 -1.58 -1.57 0.00 0.00 175.55 173.77 2a24 s HIS 32 N -1.63 3.68 0.18 2.71 2.46 -1.26 -2.50 115.29 118.93 2a24 s HIS 32 Ca 0.44 1.70 -0.16 0.00 0.47 0.00 0.00 55.06 57.50 2a24 s HIS 32 Cb -0.14 -3.20 0.14 0.00 -0.13 0.00 0.00 32.58 29.24 2a24 s HIS 32 CO 0.20 -0.33 1.65 -1.35 -2.47 0.00 0.00 174.74 172.44 2a24 h PRO 33 N 4.70 -0.01 0.00 2.88 0.11 -1.87 -0.82 132.00 136.98 2a24 h PRO 33 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2a24 h PRO 33 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a24 h PRO 33 CO 0.70 -0.01 -0.12 0.93 -0.21 0.00 0.00 178.00 179.29 2a24 h GLU 34 N -0.02 0.00 0.00 1.05 4.39 -1.93 -2.61 114.58 115.47 2a24 h GLU 34 Ca 0.22 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2a24 h GLU 34 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2a24 h GLU 34 CO -0.49 0.12 -0.00 0.93 -1.16 0.00 0.00 179.01 178.41 2a24 h GLU 35 N 0.00 0.00 -0.03 2.33 4.39 -1.53 -2.71 114.58 117.03 2a24 h GLU 35 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2a24 h GLU 35 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2a24 h GLU 35 CO 0.02 0.00 -0.02 1.28 -1.16 0.00 0.00 179.01 179.13 2a24 n LEU 36 N -3.09 2.77 -4.43 1.33 4.32 -0.99 -4.66 117.00 112.24 2a24 n LEU 36 Ca 0.01 -0.99 -0.39 0.00 -0.02 0.00 0.00 56.01 54.62 2a24 n LEU 36 Cb 0.33 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.11 2a24 n LEU 36 CO 0.28 0.47 1.95 0.18 -1.22 0.00 0.00 177.39 179.05 2a24 n LEU 37 N 1.17 4.67 0.00 2.23 4.77 -1.02 -3.63 117.00 125.18 2a24 n LEU 37 Ca 0.12 -3.72 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 2a24 n LEU 37 Cb 0.54 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 2a24 n LEU 37 CO 0.14 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 2a24 n GLY 38 N 5.30 3.48 3.66 -0.72 0.00 -1.25 -4.97 105.19 110.69 2a24 n GLY 38 Ca 0.48 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2a24 n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2a24 n ARG 39 N 0.00 -0.23 -2.90 1.61 1.85 -1.24 -4.78 116.66 110.97 2a24 n ARG 39 Ca 0.00 0.01 -0.40 0.00 -1.00 0.00 0.00 57.85 56.46 2a24 n ARG 39 Cb 0.00 -2.37 -0.05 0.00 -1.05 0.00 0.00 32.46 28.99 2a24 n ARG 39 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2a24 s SER 40 N -2.42 7.38 0.41 2.89 0.01 -1.26 -4.27 113.70 116.44 2a24 s SER 40 Ca 0.69 1.64 0.17 0.00 1.31 0.00 0.00 55.95 59.76 2a24 s SER 40 Cb -0.25 -2.52 0.91 0.00 0.21 0.00 0.00 66.02 64.37 2a24 s SER 40 CO 0.56 0.07 1.88 0.00 0.41 0.00 0.00 173.24 176.17 2a24 h ALA 41 N 5.07 1.33 0.00 1.44 0.00 -1.86 -2.39 119.26 122.85 2a24 h ALA 41 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2a24 h ALA 41 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2a24 h ALA 41 CO 0.69 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.97 2a24 n TYR 42 N -3.92 0.00 0.35 0.00 4.02 -1.26 -0.87 117.16 115.48 2a24 n TYR 42 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.02 2a24 n TYR 42 Cb 0.37 -0.40 0.51 0.00 -0.02 0.00 0.00 39.34 39.80 2a24 n TYR 42 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2a24 h GLU 43 N 0.00 0.00 0.00 -0.72 5.08 -1.83 -3.30 114.58 113.81 2a24 h GLU 43 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2a24 h GLU 43 Cb 0.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 2a24 h GLU 43 CO 0.00 0.00 -0.47 1.97 -1.00 0.00 0.00 179.01 179.51 2a24 n PHE 44 N -2.75 0.00 -1.47 4.33 -1.74 -0.75 -5.00 117.46 110.08 2a24 n PHE 44 Ca 0.02 -0.32 -0.40 0.00 -0.56 0.00 0.00 57.45 56.20 2a24 n PHE 44 Cb 0.34 0.18 -0.02 0.00 1.52 0.00 0.00 39.48 41.50 2a24 n PHE 44 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2a24 n TYR 45 N 0.14 2.85 -0.85 2.97 9.36 -0.04 -4.58 117.16 127.00 2a24 n TYR 45 Ca -0.08 -2.98 0.10 0.00 3.32 0.00 0.00 57.90 58.26 2a24 n TYR 45 Cb 0.78 -2.48 -0.05 0.00 -0.63 0.00 0.00 39.34 36.96 2a24 n TYR 45 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2a24 n HIS 46 N 4.78 -2.27 -0.12 2.98 8.25 -1.26 -3.83 115.22 123.75 2a24 n HIS 46 Ca 0.66 1.24 -0.22 0.00 -0.26 0.00 0.00 57.72 59.13 2a24 n HIS 46 Cb 0.30 -2.06 -0.12 0.00 1.12 0.00 0.00 29.99 29.23 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 -3.28 1.30 -0.06 -1.41 0.00 -1.26 -4.46 120.51 111.34 2a24 n ALA 47 Ca -0.05 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 2a24 n ALA 47 Cb 0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.61 0.56 -1.12 0.00 -0.00 -1.26 -4.50 117.00 107.07 2a24 n LEU 48 Ca -0.47 -0.02 -0.03 0.00 -0.00 0.00 0.00 56.01 55.50 2a24 n LEU 48 Cb 0.95 0.14 0.06 0.00 -0.00 0.00 0.00 43.42 44.57 2a24 n LEU 48 CO 0.21 0.38 0.58 0.47 -0.00 0.00 0.00 177.39 179.02 2a24 n ASP 49 N -2.53 2.80 0.07 1.45 9.92 -1.26 -4.00 116.55 123.00 2a24 n ASP 49 Ca -0.20 -2.31 -0.09 0.00 -0.53 0.00 0.00 54.79 51.65 2a24 n ASP 49 Cb 0.86 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.80 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 0.44 0.40 0.13 -2.24 0.02 -1.78 -3.16 113.55 107.36 2a24 h SER 50 Ca 0.10 -0.28 -0.20 0.00 -0.84 0.00 0.00 61.79 60.56 2a24 h SER 50 Cb 1.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2a24 h SER 50 CO 0.20 1.03 -0.76 -0.33 -1.14 0.00 0.00 176.83 175.83 2a24 h GLU 51 N 0.22 0.54 -0.25 3.45 5.08 -1.89 -2.71 114.58 119.02 2a24 h GLU 51 Ca -0.04 -0.45 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2a24 h GLU 51 Cb 1.36 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.64 2a24 h GLU 51 CO 0.13 1.08 -0.17 -0.97 -1.00 0.00 0.00 179.01 178.08 2a24 h ASN 52 N 0.36 -0.55 0.35 1.42 -0.73 -1.82 0.33 115.58 114.94 2a24 h ASN 52 Ca -0.04 0.12 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 2a24 h ASN 52 Cb 1.36 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 40.22 2a24 h ASN 52 CO 0.14 -0.21 -0.47 0.24 -0.37 0.00 0.00 177.43 176.76 2a24 h MET 53 N -0.16 0.15 -0.18 6.67 2.86 -1.58 -0.90 114.93 121.79 2a24 h MET 53 Ca 0.14 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2a24 h MET 53 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2a24 h MET 53 CO -0.34 0.59 -0.04 1.15 1.06 0.00 0.00 176.91 179.32 2a24 h THR 54 N 0.12 1.29 -0.67 2.22 2.02 -0.96 0.24 112.91 117.16 2a24 h THR 54 Ca 0.01 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 2a24 h THR 54 Cb 0.88 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2a24 h THR 54 CO 0.07 0.30 0.21 0.11 0.37 0.00 0.00 175.52 176.58 2a24 h LYS 55 N 0.05 1.04 -0.34 6.66 6.56 -0.26 0.41 116.57 130.69 2a24 h LYS 55 Ca 0.04 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.39 2a24 h LYS 55 Cb 0.48 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2a24 h LYS 55 CO 0.02 0.90 0.12 0.77 -2.06 0.00 0.00 179.45 179.20 2a24 h SER 56 N 0.97 0.48 -0.26 0.86 0.02 -1.05 -1.74 113.55 112.84 2a24 h SER 56 Ca 0.22 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2a24 h SER 56 Cb 0.29 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2a24 h SER 56 CO -0.01 0.55 0.15 -0.74 -1.14 0.00 0.00 176.83 175.64 2a24 h HIS 57 N 0.40 0.35 -1.00 3.45 -0.00 -0.23 0.51 115.15 118.62 2a24 h HIS 57 Ca 0.11 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.56 2a24 h HIS 57 Cb 0.23 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.45 2a24 h HIS 57 CO 0.00 0.28 0.64 0.37 -0.00 0.00 0.00 177.93 179.22 2a24 h GLN 58 N 0.32 1.10 0.01 5.26 4.15 -0.79 -0.40 115.11 124.76 2a24 h GLN 58 Ca 0.09 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 2a24 h GLN 58 Cb 0.03 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.48 2a24 h GLN 58 CO -0.02 0.73 -0.21 -0.97 -1.93 0.00 0.00 178.83 176.42 2a24 h ASN 59 N 1.13 0.18 -0.88 -0.69 -1.24 -0.92 -3.33 115.58 109.82 2a24 h ASN 59 Ca 0.45 -0.81 0.10 0.00 0.71 0.00 0.00 56.30 56.75 2a24 h ASN 59 Cb 0.25 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.18 2a24 h ASN 59 CO -0.19 0.97 0.57 0.25 -1.29 0.00 0.00 177.43 177.73 2a24 h LEU 60 N -0.59 0.78 -1.24 0.34 5.85 0.37 -1.88 115.31 118.94 2a24 h LEU 60 Ca -0.03 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2a24 h LEU 60 Cb 1.00 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2a24 h LEU 60 CO 0.04 0.46 0.58 0.00 -0.34 0.00 0.00 178.44 179.18 2a24 n THR 62 N -4.56 1.00 -0.04 0.00 -2.24 -0.75 -4.37 114.28 103.31 2a24 n THR 62 Ca 0.17 -1.00 -0.06 0.00 -2.27 0.00 0.00 64.05 60.90 2a24 n THR 62 Cb 0.42 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.45 1.09 0.00 -0.78 4.76 -0.23 -5.02 118.16 119.43 2a24 n LYS 63 Ca 0.22 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2a24 n LYS 63 Cb 0.59 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 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 2.89 1.61 2.90 0.72 0.00 0.52 -4.76 105.19 109.07 2a24 n GLY 64 Ca -0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2a24 n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a24 s GLN 65 N 0.00 1.50 -0.06 1.61 -0.21 -1.25 0.33 119.66 121.57 2a24 s GLN 65 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.61 2a24 s GLN 65 Cb 0.00 -2.26 0.02 0.00 1.00 0.00 0.00 33.01 31.77 2a24 s GLN 65 CO 0.00 -0.51 0.18 0.54 -2.12 0.00 0.00 175.29 173.39 2a24 s VAL 66 N 1.55 0.01 -0.65 1.09 0.11 -0.41 -5.02 120.40 117.09 2a24 s VAL 66 Ca -0.02 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 2a24 s VAL 66 Cb -0.17 -0.28 0.17 0.00 -1.53 0.00 0.00 36.38 34.56 2a24 s VAL 66 CO -0.07 -0.03 0.56 -0.69 -3.33 0.00 0.00 175.10 171.54 2a24 s VAL 67 N -0.03 4.97 1.01 2.04 1.01 -1.26 -0.33 120.40 127.81 2a24 s VAL 67 Ca -0.01 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 59.70 2a24 s VAL 67 Cb -0.02 -4.16 0.20 0.00 0.00 0.00 0.00 36.38 32.41 2a24 s VAL 67 CO 0.00 -0.91 1.22 -0.94 0.00 0.00 0.00 175.10 174.47 2a24 s SER 68 N 2.50 2.68 0.00 3.32 1.04 -1.21 -5.02 113.70 117.01 2a24 s SER 68 Ca 0.11 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2a24 s SER 68 Cb -0.20 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2a24 s SER 68 CO -0.03 -3.02 0.00 0.61 0.98 0.00 0.00 173.24 171.78 2a24 n GLY 69 N -2.64 1.24 3.68 7.32 0.00 -1.26 -4.64 105.19 108.89 2a24 n GLY 69 Ca 0.12 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 2a24 n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a24 s GLN 70 N 1.48 2.43 0.27 1.61 -0.21 -1.26 -3.84 119.66 120.13 2a24 s GLN 70 Ca 0.00 -1.23 -0.07 0.00 0.02 0.00 0.00 55.36 54.08 2a24 s GLN 70 Cb 0.00 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.70 2a24 s GLN 70 CO 0.00 0.41 0.39 1.52 -2.12 0.00 0.00 175.29 175.49 2a24 s TYR 71 N -2.04 0.78 -0.52 0.91 -0.85 -1.05 -4.97 117.35 109.61 2a24 s TYR 71 Ca 0.30 -1.06 -0.20 0.00 -0.52 0.00 0.00 57.07 55.58 2a24 s TYR 71 Cb -0.08 -0.08 0.06 0.00 0.38 0.00 0.00 41.96 42.24 2a24 s TYR 71 CO 0.20 -0.95 0.71 1.03 -1.52 0.00 0.00 175.55 175.02 2a24 s ARG 72 N -3.75 3.17 -0.04 -3.49 0.52 -1.26 -1.75 118.95 112.36 2a24 s ARG 72 Ca 0.29 -0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 2a24 s ARG 72 Cb 0.01 -4.09 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 2a24 s ARG 72 CO 0.13 -1.31 0.86 1.41 0.02 0.00 0.00 175.30 176.41 2a24 s MET 73 N 2.99 4.49 -0.31 3.54 1.75 0.13 -4.71 119.30 127.19 2a24 s MET 73 Ca 0.19 1.17 -0.29 0.00 -1.25 0.00 0.00 55.69 55.51 2a24 s MET 73 Cb -0.18 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.04 2a24 s MET 73 CO 0.14 -0.02 1.26 -1.17 -0.65 0.00 0.00 175.02 174.57 2a24 s LEU 74 N 1.00 3.88 0.64 4.11 2.96 -1.26 -0.49 118.68 129.51 2a24 s LEU 74 Ca 0.45 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 2a24 s LEU 74 Cb -0.19 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.02 2a24 s LEU 74 CO 0.23 -1.05 0.90 0.00 -1.32 0.00 0.00 176.35 175.10 2a24 s ALA 75 N 4.26 3.64 -0.77 5.97 0.00 0.11 -4.94 121.76 130.03 2a24 s ALA 75 Ca 0.54 -1.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 2a24 s ALA 75 Cb -0.15 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.63 2a24 s ALA 75 CO 0.22 -1.09 2.80 1.17 0.00 0.00 0.00 175.76 178.86 2a24 n LYS 76 N -2.63 2.44 -0.25 0.00 4.81 0.81 -2.65 118.16 120.69 2a24 n LYS 76 Ca 0.10 -1.43 -0.00 0.00 -0.87 0.00 0.00 58.31 56.10 2a24 n LYS 76 Cb 0.60 -2.34 -0.00 0.00 0.02 0.00 0.00 35.03 33.31 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 3.31 0.00 -0.95 5.64 1.44 -1.26 -4.96 115.22 118.44 2a24 n HIS 77 Ca 0.52 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2a24 n HIS 77 Cb 0.43 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.74 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 0.00 0.29 3.84 -1.39 0.00 -1.08 -4.98 105.19 101.86 2a24 n GLY 78 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.50 -0.34 -0.02 0.00 -1.26 -4.88 107.32 101.32 2a24 s GLY 79 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.64 2a24 s GLY 79 CO 0.00 0.27 0.10 -0.19 0.00 0.00 0.00 173.10 173.28 2a24 s TYR 80 N -1.52 3.30 -0.17 1.90 2.02 -1.26 0.08 117.35 121.69 2a24 s TYR 80 Ca 0.41 -1.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.34 2a24 s TYR 80 Cb -0.15 -2.38 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 2a24 s TYR 80 CO 0.20 -0.78 0.23 0.08 -1.57 0.00 0.00 175.55 173.71 2a24 s VAL 81 N 1.34 5.34 -0.49 0.71 1.01 0.36 0.57 120.40 129.23 2a24 s VAL 81 Ca -0.01 0.42 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 2a24 s VAL 81 Cb -0.20 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2a24 s VAL 81 CO 0.01 0.41 1.51 0.26 0.00 0.00 0.00 175.10 177.29 2a24 s TRP 82 N 0.42 2.20 0.20 5.22 0.52 -0.96 0.21 118.94 126.74 2a24 s TRP 82 Ca 0.13 0.58 0.11 0.00 0.02 0.00 0.00 56.10 56.95 2a24 s TRP 82 Cb -0.12 -4.31 -0.04 0.00 -1.15 0.00 0.00 33.47 27.85 2a24 s TRP 82 CO 0.02 -2.13 -0.23 -0.51 0.02 0.00 0.00 176.95 174.12 2a24 s LEU 83 N 6.27 2.48 0.21 2.99 1.02 -0.71 -2.74 118.68 128.20 2a24 s LEU 83 Ca 0.60 -0.86 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 2a24 s LEU 83 Cb -0.13 -1.20 -0.05 0.00 0.02 0.00 0.00 46.19 44.83 2a24 s LEU 83 CO 0.28 0.11 0.43 -1.61 0.02 0.00 0.00 176.35 175.58 2a24 s GLU 84 N -2.73 3.57 -0.20 1.70 2.02 0.41 -2.52 118.70 120.95 2a24 s GLU 84 Ca 0.22 -0.19 -0.08 0.00 0.02 0.00 0.00 54.97 54.94 2a24 s GLU 84 Cb -0.08 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.44 2a24 s GLU 84 CO 0.10 0.37 0.43 0.99 0.02 0.00 0.00 175.26 177.18 2a24 s THR 85 N -1.87 -0.49 -0.19 3.63 2.01 -1.25 -0.13 115.64 117.36 2a24 s THR 85 Ca 0.40 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.46 2a24 s THR 85 Cb -0.11 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2a24 s THR 85 CO 0.28 0.06 0.10 -1.58 -0.69 0.00 0.00 174.62 172.79 2a24 s GLN 86 N 2.30 4.03 -0.37 4.92 0.74 -0.86 -3.36 119.66 127.06 2a24 s GLN 86 Ca -0.04 -0.27 -0.20 0.00 0.05 0.00 0.00 55.36 54.90 2a24 s GLN 86 Cb -0.11 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.70 2a24 s GLN 86 CO -0.13 0.33 0.63 0.20 -0.55 0.00 0.00 175.29 175.77 2a24 s GLY 87 N 0.25 1.75 -0.39 2.59 0.00 0.55 -2.48 107.32 109.57 2a24 s GLY 87 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.89 2a24 s GLY 87 CO -0.01 1.49 0.17 -1.59 0.00 0.00 0.00 173.10 173.16 2a24 s THR 88 N 2.71 1.49 0.05 0.90 2.01 -1.19 -1.28 115.64 120.33 2a24 s THR 88 Ca 0.24 -2.26 -0.27 0.00 0.31 0.00 0.00 61.69 59.71 2a24 s THR 88 Cb -0.14 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2a24 s THR 88 CO 0.15 -0.78 0.83 -0.69 -0.69 0.00 0.00 174.62 173.45 2a24 s VAL 89 N 0.74 4.71 -0.43 3.82 1.01 0.15 0.41 120.40 130.81 2a24 s VAL 89 Ca 0.14 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 63.74 2a24 s VAL 89 Cb -0.22 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.01 2a24 s VAL 89 CO -0.08 0.32 0.36 -0.63 0.00 0.00 0.00 175.10 175.07 2a24 s ILE 90 N 0.12 5.21 0.18 2.22 1.01 0.16 -4.86 121.20 125.24 2a24 s ILE 90 Ca 0.42 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2a24 s ILE 90 Cb -0.21 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 2a24 s ILE 90 CO 0.25 -0.41 0.84 -0.31 0.00 0.00 0.00 174.94 175.30 2a24 s TYR 91 N 1.79 3.92 -0.21 3.97 1.51 -1.26 -2.08 117.35 124.99 2a24 s TYR 91 Ca 0.06 1.72 -0.23 0.00 -1.01 0.00 0.00 57.07 57.62 2a24 s TYR 91 Cb -0.20 -2.85 -0.01 0.00 -0.11 0.00 0.00 41.96 38.79 2a24 s TYR 91 CO 0.10 0.47 0.76 1.21 -1.11 0.00 0.00 175.55 176.98 2a24 s ASN 92 N -1.04 6.80 0.36 2.29 3.84 0.75 -4.88 114.94 123.06 2a24 s ASN 92 Ca 0.38 0.98 0.26 0.00 0.21 0.00 0.00 52.86 54.69 2a24 s ASN 92 Cb -0.24 -2.41 1.27 0.00 -0.55 0.00 0.00 41.25 39.32 2a24 s ASN 92 CO 0.28 -0.41 1.80 1.55 -2.79 0.00 0.00 177.10 177.53 2a24 h PRO 93 N 7.57 0.00 -0.20 0.43 0.13 -1.96 0.46 132.00 138.44 2a24 h PRO 93 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2a24 h PRO 93 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2a24 h PRO 93 CO 0.83 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.50 2a24 h ARG 94 N 0.00 0.41 0.00 0.86 3.08 -1.96 -3.35 114.38 113.42 2a24 h ARG 94 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2a24 h ARG 94 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2a24 h ARG 94 CO 0.00 0.71 0.00 0.09 -1.07 0.00 0.00 179.97 179.70 2a24 n ASN 95 N -4.57 1.02 -3.29 7.04 4.13 -1.14 -5.00 115.26 113.44 2a24 n ASN 95 Ca -0.05 -1.14 -0.23 0.00 1.68 0.00 0.00 54.58 54.84 2a24 n ASN 95 Cb 0.32 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.62 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 -0.07 -3.09 -4.48 3.41 4.77 0.16 -5.01 117.00 112.69 2a24 n LEU 96 Ca 0.00 -0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 55.29 2a24 n LEU 96 Cb 0.07 -2.96 -0.11 0.00 -2.33 0.00 0.00 43.42 38.10 2a24 n LEU 96 CO 0.00 0.47 -0.48 0.00 -1.33 0.00 0.00 177.39 176.05 2a24 s GLN 97 N -6.04 1.74 -0.47 3.23 0.00 -1.16 -4.86 119.66 112.09 2a24 s GLN 97 Ca 0.46 -1.44 -0.28 0.00 -0.00 0.00 0.00 55.36 54.10 2a24 s GLN 97 Cb -0.20 -1.96 -0.01 0.00 0.00 0.00 0.00 33.01 30.84 2a24 s GLN 97 CO 0.57 0.41 1.65 -1.25 0.00 0.00 0.00 175.29 176.67 2a24 s PRO 98 N -2.78 3.20 -0.06 9.60 0.04 -1.26 -0.18 135.00 143.56 2a24 s PRO 98 Ca 0.23 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.15 2a24 s PRO 98 Cb -0.08 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 2a24 s PRO 98 CO 0.12 -2.04 -0.04 1.96 0.04 0.00 0.00 177.00 177.04 2a24 h GLN 99 N 12.56 0.00 -5.36 4.56 1.08 -1.76 -3.46 115.11 122.73 2a24 h GLN 99 Ca -0.29 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.51 2a24 h GLN 99 Cb 1.14 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.39 2a24 h GLN 99 CO 1.12 0.00 -0.75 0.00 -0.95 0.00 0.00 178.83 178.25 2a24 s ILE 101 N -2.35 2.44 -1.10 0.00 1.01 0.19 0.38 121.20 121.78 2a24 s ILE 101 Ca 0.10 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 2a24 s ILE 101 Cb -0.04 -1.96 0.19 0.00 0.01 0.00 0.00 42.46 40.66 2a24 s ILE 101 CO 0.03 0.55 1.24 -0.04 0.00 0.00 0.00 174.94 176.71 2a24 s MET 102 N 0.27 3.98 -0.92 2.79 -1.94 0.17 -0.69 119.30 122.96 2a24 s MET 102 Ca -0.14 -2.58 -0.24 0.00 -1.71 0.00 0.00 55.69 51.02 2a24 s MET 102 Cb -0.17 -4.85 0.04 0.00 2.01 0.00 0.00 34.83 31.86 2a24 s MET 102 CO 0.07 -1.60 1.39 0.00 -0.01 0.00 0.00 175.02 174.87 2a24 s VAL 104 N 5.23 3.95 -0.28 0.00 1.01 -1.04 -0.36 120.40 128.91 2a24 s VAL 104 Ca 0.42 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 2a24 s VAL 104 Cb -0.03 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2a24 s VAL 104 CO -0.01 -0.66 0.36 0.20 0.00 0.00 0.00 175.10 174.98 2a24 s ASN 105 N 3.68 6.23 -0.25 3.32 0.01 0.18 -2.03 114.94 126.07 2a24 s ASN 105 Ca 0.61 0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 52.92 2a24 s ASN 105 Cb -0.15 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 2a24 s ASN 105 CO 0.30 -0.18 0.03 -0.31 -1.51 0.00 0.00 177.10 175.43 2a24 s TYR 106 N 2.04 3.07 -0.67 2.20 2.02 0.81 -0.49 117.35 126.33 2a24 s TYR 106 Ca 0.14 -0.79 -0.27 0.00 -0.37 0.00 0.00 57.07 55.78 2a24 s TYR 106 Cb -0.16 -2.20 0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2a24 s TYR 106 CO 0.10 -0.50 1.18 0.08 -1.57 0.00 0.00 175.55 174.85 2a24 s VAL 107 N 1.53 3.94 -0.05 0.71 1.01 -0.84 -0.45 120.40 126.26 2a24 s VAL 107 Ca 0.05 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.52 2a24 s VAL 107 Cb -0.16 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.36 2a24 s VAL 107 CO 0.01 -1.59 0.03 0.18 0.00 0.00 0.00 175.10 173.73 2a24 n LEU 108 N 8.73 0.00 -4.85 3.92 4.77 -1.26 -4.21 117.00 124.10 2a24 n LEU 108 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.75 2a24 n LEU 108 Cb 0.48 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2a24 n LEU 108 CO 0.70 0.11 -0.03 -0.44 -1.33 0.00 0.00 177.39 176.39 2a24 s SER 109 N -3.51 4.57 0.29 -1.43 0.01 -1.11 -5.11 113.70 107.41 2a24 s SER 109 Ca -0.02 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2a24 s SER 109 Cb 0.02 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.42 2a24 s SER 109 CO 0.21 -0.92 0.09 -1.84 0.41 0.00 0.00 173.24 171.20 2a24 n GLU 110 N -1.58 0.69 -2.94 12.44 0.00 -1.26 -4.55 120.64 123.44 2a24 n GLU 110 Ca -0.03 -0.29 -0.40 0.00 0.00 0.00 0.00 57.16 56.44 2a24 n GLU 110 Cb 0.64 -0.05 -0.04 0.00 0.00 0.00 0.00 31.44 31.99 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 0.17 4.98 -2.62 3.84 1.01 -1.26 -2.27 121.20 125.04 2a24 s ILE 111 Ca 0.06 1.64 0.27 0.00 0.00 0.00 0.00 60.65 62.63 2a24 s ILE 111 Cb -0.00 -4.13 0.47 0.00 0.01 0.00 0.00 42.46 38.80 2a24 s ILE 111 CO 0.04 0.23 1.63 1.21 0.00 0.00 0.00 174.94 178.05