#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 0.06 0.08 -0.18 2.01 -1.26 -2.93 115.64 113.42 2a24 s THR 7 Ca 0.00 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 2a24 s THR 7 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 2a24 s THR 7 CO 0.00 -0.25 0.09 0.72 -0.69 0.00 0.00 174.62 174.49 2a24 s PHE 8 N -0.77 0.40 -0.25 4.92 -0.71 -1.15 -5.01 117.98 115.42 2a24 s PHE 8 Ca -0.08 -0.87 -0.13 0.00 -1.04 0.00 0.00 56.93 54.81 2a24 s PHE 8 Cb -0.05 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2a24 s PHE 8 CO -0.00 -0.49 0.26 -1.17 -1.34 0.00 0.00 175.22 172.48 2a24 s LEU 9 N -2.91 4.09 -0.22 -1.99 1.98 -1.26 -1.10 118.68 117.27 2a24 s LEU 9 Ca 0.09 0.21 0.02 0.00 -2.89 0.00 0.00 54.13 51.56 2a24 s LEU 9 Cb 0.06 -2.27 0.04 0.00 0.66 0.00 0.00 46.19 44.69 2a24 s LEU 9 CO -0.08 -0.04 -0.14 -0.55 -1.89 0.00 0.00 176.35 173.65 2a24 s SER 10 N 1.32 3.80 -0.16 3.68 0.15 0.55 -2.16 113.70 120.87 2a24 s SER 10 Ca 0.12 -1.05 -0.16 0.00 0.70 0.00 0.00 55.95 55.56 2a24 s SER 10 Cb -0.15 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2a24 s SER 10 CO 0.08 -0.12 0.40 -0.13 1.20 0.00 0.00 173.24 174.67 2a24 s ARG 11 N 1.22 4.26 0.13 5.44 0.52 0.28 -0.04 118.95 130.76 2a24 s ARG 11 Ca -0.03 0.26 0.11 0.00 -0.52 0.00 0.00 55.73 55.55 2a24 s ARG 11 Cb -0.17 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 2a24 s ARG 11 CO -0.08 0.12 -0.25 -1.01 0.02 0.00 0.00 175.30 174.10 2a24 s HIS 12 N 0.80 2.36 0.03 -0.53 3.76 0.61 -0.82 115.29 121.51 2a24 s HIS 12 Ca 0.21 -0.35 -0.14 0.00 -0.15 0.00 0.00 55.06 54.62 2a24 s HIS 12 Cb -0.14 -1.26 0.02 0.00 1.11 0.00 0.00 32.58 32.31 2a24 s HIS 12 CO 0.07 0.37 0.31 -1.54 -0.85 0.00 0.00 174.74 173.10 2a24 s SER 13 N -2.14 -0.15 0.57 1.40 1.04 -0.85 0.32 113.70 113.90 2a24 s SER 13 Ca 0.16 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2a24 s SER 13 Cb -0.10 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2a24 s SER 13 CO 0.07 -0.59 0.00 0.23 0.98 0.00 0.00 173.24 173.93 2a24 n MET 14 N 0.69 0.00 -0.43 4.02 2.81 -1.26 -1.14 117.12 121.81 2a24 n MET 14 Ca -0.19 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.62 2a24 n MET 14 Cb 0.59 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.17 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 5.76 3.22 -1.68 7.83 5.75 -1.26 -4.78 116.55 131.40 2a24 n ASP 15 Ca 0.00 -2.55 -0.17 0.00 -0.01 0.00 0.00 54.79 52.05 2a24 n ASP 15 Cb 0.00 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.43 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 -0.06 -1.31 -0.89 0.11 0.00 -0.29 -4.50 117.12 110.19 2a24 n MET 16 Ca 0.20 0.97 -0.18 0.00 -0.00 0.00 0.00 57.70 58.69 2a24 n MET 16 Cb 0.89 -5.33 0.14 0.00 0.00 0.00 0.00 33.22 28.92 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 -2.59 -1.58 -3.46 2.12 2.85 -0.67 -4.30 118.16 110.53 2a24 n LYS 17 Ca -0.19 -1.15 -0.39 0.00 -1.05 0.00 0.00 58.31 55.53 2a24 n LYS 17 Cb 0.62 -0.92 -0.10 0.00 -0.65 0.00 0.00 35.03 33.98 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 -2.48 3.25 -0.15 5.58 0.40 -1.25 -2.01 117.98 121.32 2a24 s PHE 18 Ca 0.44 0.33 0.19 0.00 -0.60 0.00 0.00 56.93 57.30 2a24 s PHE 18 Cb -0.03 -2.50 -0.27 0.00 0.51 0.00 0.00 43.02 40.73 2a24 s PHE 18 CO 0.33 -0.18 0.19 2.41 0.70 0.00 0.00 175.22 178.66 2a24 n THR 19 N 5.02 1.01 -3.58 0.64 -1.04 -0.00 -3.23 114.28 113.10 2a24 n THR 19 Ca -0.10 -0.76 -0.01 0.00 -2.04 0.00 0.00 64.05 61.14 2a24 n THR 19 Cb 0.51 -0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 2a24 n THR 19 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2a24 s TYR 20 N -2.77 -1.36 -0.13 -1.42 5.04 -1.21 -5.00 117.35 110.50 2a24 s TYR 20 Ca -0.09 2.21 -0.00 0.00 -2.44 0.00 0.00 57.07 56.75 2a24 s TYR 20 Cb 0.08 0.75 -0.02 0.00 0.35 0.00 0.00 41.96 43.13 2a24 s TYR 20 CO 0.85 -0.69 -0.12 0.00 -1.34 0.00 0.00 175.55 174.25 2a24 s ASP 22 N 0.33 5.50 0.00 0.00 1.01 -0.92 -4.78 116.67 117.80 2a24 s ASP 22 Ca -0.10 2.56 0.11 0.00 0.71 0.00 0.00 52.55 55.83 2a24 s ASP 22 Cb -0.16 -2.62 0.49 0.00 1.01 0.00 0.00 42.92 41.65 2a24 s ASP 22 CO 0.05 -1.40 1.36 -0.90 0.21 0.00 0.00 175.17 174.50 2a24 n ASP 23 N -1.00 0.00 -0.97 0.27 5.75 -1.26 -2.13 116.55 117.21 2a24 n ASP 23 Ca 0.10 0.48 0.08 0.00 -0.01 0.00 0.00 54.79 55.45 2a24 n ASP 23 Cb 0.47 -0.49 0.23 0.00 -1.03 0.00 0.00 41.12 40.30 2a24 n ASP 23 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2a24 n ARG 24 N -1.49 2.24 0.12 0.11 1.85 -1.26 -4.06 116.66 114.17 2a24 n ARG 24 Ca 0.03 -1.89 0.05 0.00 -1.00 0.00 0.00 57.85 55.04 2a24 n ARG 24 Cb 0.13 -1.42 0.02 0.00 -1.05 0.00 0.00 32.46 30.15 2a24 n ARG 24 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2a24 h ILE 25 N 3.06 0.51 0.00 8.89 2.10 -1.73 -3.32 117.51 127.02 2a24 h ILE 25 Ca 0.00 -1.79 -0.04 0.00 1.08 0.00 0.00 64.86 64.12 2a24 h ILE 25 Cb 0.71 2.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.58 2a24 h ILE 25 CO 0.01 0.29 -0.17 0.71 -1.08 0.00 0.00 178.15 177.91 2a24 h THR 26 N 0.00 1.02 -0.04 2.19 1.35 -1.69 0.78 112.91 116.52 2a24 h THR 26 Ca -0.04 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2a24 h THR 26 Cb 1.31 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2a24 h THR 26 CO 0.04 0.16 0.00 -1.84 -0.25 0.00 0.00 175.52 173.63 2a24 n GLU 27 N -4.20 2.02 -0.02 4.72 0.28 -1.25 -2.89 120.64 119.31 2a24 n GLU 27 Ca -0.02 -1.49 -0.06 0.00 -0.16 0.00 0.00 57.16 55.43 2a24 n GLU 27 Cb 0.24 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2a24 n LEU 28 N 0.81 1.29 -0.05 -1.84 4.77 -0.67 -4.82 117.00 116.49 2a24 n LEU 28 Ca 0.16 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 2a24 n LEU 28 Cb 0.48 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2a24 n LEU 28 CO 0.16 -0.36 -0.88 -0.38 -1.33 0.00 0.00 177.39 174.60 2a24 n ILE 29 N -3.80 1.13 0.00 -0.08 5.41 0.18 -4.99 119.36 117.21 2a24 n ILE 29 Ca -0.10 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.89 2a24 n ILE 29 Cb 0.33 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 1.58 2.13 3.75 7.39 0.00 -1.04 -1.49 105.19 117.51 2a24 n GLY 30 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.58 3.90 0.03 1.61 2.02 -1.26 -4.83 117.35 116.25 2a24 s TYR 31 Ca 0.00 1.87 -0.29 0.00 -0.37 0.00 0.00 57.07 58.28 2a24 s TYR 31 Cb 0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2a24 s TYR 31 CO 0.00 0.26 0.94 -1.58 -1.57 0.00 0.00 175.55 173.59 2a24 s HIS 32 N -1.11 3.71 0.21 2.71 2.46 -1.26 -3.26 115.29 118.74 2a24 s HIS 32 Ca 0.42 1.68 -0.14 0.00 0.47 0.00 0.00 55.06 57.49 2a24 s HIS 32 Cb -0.27 -3.05 0.22 0.00 -0.13 0.00 0.00 32.58 29.35 2a24 s HIS 32 CO 0.34 0.09 1.63 -1.00 -2.47 0.00 0.00 174.74 173.32 2a24 h PRO 33 N 6.33 -0.01 0.00 2.88 0.13 -1.86 -0.09 132.00 139.38 2a24 h PRO 33 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2a24 h PRO 33 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2a24 h PRO 33 CO 0.74 -0.01 -0.32 0.93 -0.23 0.00 0.00 178.00 179.11 2a24 h GLU 34 N -0.01 0.00 0.00 0.86 4.39 -1.93 -2.28 114.58 115.61 2a24 h GLU 34 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2a24 h GLU 34 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2a24 h GLU 34 CO -0.63 0.32 0.00 -1.91 -1.16 0.00 0.00 179.01 175.63 2a24 n GLU 35 N -4.07 0.03 -0.01 2.33 0.00 -0.09 -2.67 120.64 116.17 2a24 n GLU 35 Ca -0.02 0.10 0.10 0.00 0.00 0.00 0.00 57.16 57.34 2a24 n GLU 35 Cb 0.37 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.17 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2a24 n LEU 36 N -1.48 0.27 -4.56 4.31 4.77 -0.87 -4.71 117.00 114.73 2a24 n LEU 36 Ca 0.06 -0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.50 2a24 n LEU 36 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2a24 n LEU 36 CO 0.21 0.07 1.53 -0.76 -1.33 0.00 0.00 177.39 177.11 2a24 s LEU 37 N -3.97 3.33 0.00 2.23 1.43 -1.09 -2.69 118.68 117.92 2a24 s LEU 37 Ca -0.03 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2a24 s LEU 37 Cb 0.13 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2a24 s LEU 37 CO 0.83 -2.18 0.00 0.61 0.23 0.00 0.00 176.35 175.84 2a24 n GLY 38 N 5.59 0.95 3.83 -3.19 0.00 -1.20 -5.05 105.19 106.13 2a24 n GLY 38 Ca 0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 4.07 0.07 1.61 1.70 -1.10 -4.94 118.95 120.36 2a24 s ARG 39 Ca 0.00 1.02 -0.31 0.00 -0.47 0.00 0.00 55.73 55.98 2a24 s ARG 39 Cb 0.00 -2.16 -0.06 0.00 -0.57 0.00 0.00 34.95 32.17 2a24 s ARG 39 CO 0.00 -0.17 1.18 -1.12 -1.08 0.00 0.00 175.30 174.12 2a24 s SER 40 N -2.69 7.10 0.32 -2.89 0.01 -1.26 -3.82 113.70 110.47 2a24 s SER 40 Ca 0.60 2.01 0.15 0.00 1.31 0.00 0.00 55.95 60.02 2a24 s SER 40 Cb -0.10 -2.58 0.49 0.00 0.21 0.00 0.00 66.02 64.04 2a24 s SER 40 CO 0.23 -0.44 1.65 0.00 0.41 0.00 0.00 173.24 175.09 2a24 h ALA 41 N 6.67 0.94 0.00 1.44 0.00 -1.79 -3.02 119.26 123.51 2a24 h ALA 41 Ca -0.42 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2a24 h ALA 41 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2a24 h ALA 41 CO 0.80 0.62 0.00 1.88 0.00 0.00 0.00 179.25 182.55 2a24 h TYR 42 N 0.00 0.00 -0.31 0.00 0.05 -1.85 -1.04 116.97 113.82 2a24 h TYR 42 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 2a24 h TYR 42 Cb 1.04 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 2a24 h TYR 42 CO 0.00 0.00 0.21 0.93 -1.05 0.00 0.00 178.16 178.25 2a24 h GLU 43 N 0.00 0.33 -0.06 4.88 5.08 -1.94 -3.02 114.58 119.85 2a24 h GLU 43 Ca 0.00 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2a24 h GLU 43 Cb 0.09 -0.08 -0.35 0.00 0.50 0.00 0.00 28.75 28.91 2a24 h GLU 43 CO 0.00 0.22 -0.99 1.97 -1.00 0.00 0.00 179.01 179.21 2a24 n PHE 44 N -4.49 0.19 -1.28 4.33 -1.74 -0.86 -4.95 117.46 108.66 2a24 n PHE 44 Ca 0.02 -0.82 -0.29 0.00 -0.56 0.00 0.00 57.45 55.80 2a24 n PHE 44 Cb 0.12 -0.17 -0.08 0.00 1.52 0.00 0.00 39.48 40.88 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 0.19 1.57 -1.64 2.97 9.36 -0.45 -4.14 117.16 125.02 2a24 n TYR 45 Ca 0.08 -2.47 0.00 0.00 3.32 0.00 0.00 57.90 58.83 2a24 n TYR 45 Cb 1.06 -2.07 0.00 0.00 -0.63 0.00 0.00 39.34 37.70 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 2.89 -3.75 -0.04 2.98 8.25 -1.26 -3.92 115.22 120.37 2a24 n HIS 46 Ca 0.64 2.22 -0.04 0.00 -0.26 0.00 0.00 57.72 60.28 2a24 n HIS 46 Cb 0.48 -3.27 0.19 0.00 1.12 0.00 0.00 29.99 28.52 2a24 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a24 h ALA 47 N 3.11 1.12 0.00 -1.41 0.00 -1.87 -3.09 119.26 117.13 2a24 h ALA 47 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 2a24 h ALA 47 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2a24 h ALA 47 CO 0.00 0.55 -2.19 1.47 0.00 0.00 0.00 179.25 179.08 2a24 n LEU 48 N -4.18 2.09 -1.67 0.00 -0.00 -1.26 -4.49 117.00 107.48 2a24 n LEU 48 Ca 0.01 -0.08 -0.10 0.00 -0.00 0.00 0.00 56.01 55.84 2a24 n LEU 48 Cb 0.34 -0.40 0.03 0.00 -0.00 0.00 0.00 43.42 43.40 2a24 n LEU 48 CO 0.42 0.73 1.05 0.47 -0.00 0.00 0.00 177.39 180.05 2a24 n ASP 49 N -2.97 5.40 0.02 1.45 8.00 -1.25 -4.34 116.55 122.86 2a24 n ASP 49 Ca -0.35 -2.77 -0.11 0.00 0.71 0.00 0.00 54.79 52.27 2a24 n ASP 49 Cb 0.94 -0.96 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2a24 h SER 50 N 1.07 -0.12 -0.73 -2.24 0.02 -1.65 -3.14 113.55 106.76 2a24 h SER 50 Ca 0.20 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2a24 h SER 50 Cb 1.10 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2a24 h SER 50 CO 0.47 0.49 0.29 -0.33 -1.14 0.00 0.00 176.83 176.61 2a24 h GLU 51 N -0.84 1.11 -0.72 3.45 4.39 -1.90 -0.20 114.58 119.87 2a24 h GLU 51 Ca -0.01 -0.20 0.11 0.00 0.34 0.00 0.00 59.36 59.60 2a24 h GLU 51 Cb 0.57 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 2a24 h GLU 51 CO 0.02 0.91 0.32 -0.97 -1.16 0.00 0.00 179.01 178.13 2a24 h ASN 52 N 1.08 0.37 0.47 1.42 -0.73 -1.85 0.28 115.58 116.61 2a24 h ASN 52 Ca 0.25 0.08 -0.30 0.00 1.87 0.00 0.00 56.30 58.20 2a24 h ASN 52 Cb 0.22 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 2a24 h ASN 52 CO -0.02 0.19 -1.47 -0.03 -0.37 0.00 0.00 177.43 175.73 2a24 h MET 53 N 0.52 0.28 -0.80 6.67 4.05 -1.44 -2.86 114.93 121.36 2a24 h MET 53 Ca 0.37 -0.48 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2a24 h MET 53 Cb 0.48 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 2a24 h MET 53 CO -0.33 1.17 0.46 1.15 0.23 0.00 0.00 176.91 179.60 2a24 h THR 54 N 0.08 1.23 -0.31 -0.77 2.02 -0.52 0.22 112.91 114.85 2a24 h THR 54 Ca -0.22 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2a24 h THR 54 Cb 2.02 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2a24 h THR 54 CO 0.18 0.24 -0.05 0.11 0.37 0.00 0.00 175.52 176.37 2a24 h LYS 55 N 1.10 0.59 -0.91 6.66 6.56 -0.55 -0.82 116.57 129.20 2a24 h LYS 55 Ca 0.28 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 2a24 h LYS 55 Cb -0.01 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.56 2a24 h LYS 55 CO -0.05 0.76 0.50 0.77 -2.06 0.00 0.00 179.45 179.37 2a24 h SER 56 N 0.37 1.13 -0.63 0.86 0.02 -1.22 -1.27 113.55 112.81 2a24 h SER 56 Ca 0.08 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2a24 h SER 56 Cb 0.53 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2a24 h SER 56 CO 0.03 0.90 0.12 -0.74 -1.14 0.00 0.00 176.83 175.99 2a24 h HIS 57 N 1.27 1.11 0.35 3.45 -0.00 -0.35 0.55 115.15 121.52 2a24 h HIS 57 Ca 0.32 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 2a24 h HIS 57 Cb 0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 2a24 h HIS 57 CO 0.01 0.93 -0.17 0.37 -0.00 0.00 0.00 177.93 179.07 2a24 h GLN 58 N 0.99 -0.45 -0.16 5.26 4.15 -0.51 -2.56 115.11 121.83 2a24 h GLN 58 Ca 0.20 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 2a24 h GLN 58 Cb 0.41 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2a24 h GLN 58 CO 0.01 -0.21 -0.00 -0.97 -1.93 0.00 0.00 178.83 175.72 2a24 h ASN 59 N -0.62 0.20 -0.77 -0.69 -1.24 -1.17 -2.36 115.58 108.94 2a24 h ASN 59 Ca -0.05 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2a24 h ASN 59 Cb 0.45 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.41 2a24 h ASN 59 CO 0.08 0.25 0.39 0.25 -1.29 0.00 0.00 177.43 177.12 2a24 h LEU 60 N 0.22 1.00 -0.12 0.34 5.85 -0.65 0.24 115.31 122.20 2a24 h LEU 60 Ca 0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2a24 h LEU 60 Cb 0.17 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2a24 h LEU 60 CO 0.00 0.83 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 2a24 n THR 62 N -1.64 0.63 0.57 0.00 -1.04 -0.78 -4.65 114.28 107.38 2a24 n THR 62 Ca 0.03 -0.18 0.12 0.00 -2.04 0.00 0.00 64.05 61.99 2a24 n THR 62 Cb 0.19 -1.50 0.45 0.00 -1.82 0.00 0.00 70.33 67.65 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 -3.38 0.20 0.00 -2.82 4.76 0.78 -4.92 118.16 112.79 2a24 n LYS 63 Ca -0.22 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2a24 n LYS 63 Cb 0.67 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 0.79 2.03 3.08 0.72 0.00 -0.48 -4.87 105.19 106.45 2a24 n GLY 64 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 1.70 0.01 1.61 0.74 -1.26 0.33 119.66 122.79 2a24 s GLN 65 Ca 0.00 -0.50 0.05 0.00 0.05 0.00 0.00 55.36 54.95 2a24 s GLN 65 Cb 0.00 -1.44 -0.02 0.00 1.10 0.00 0.00 33.01 32.65 2a24 s GLN 65 CO 0.00 0.14 -0.15 0.54 -0.55 0.00 0.00 175.29 175.27 2a24 s VAL 66 N 0.32 1.16 -0.43 1.34 0.11 -0.36 -4.91 120.40 117.62 2a24 s VAL 66 Ca -0.09 -0.77 -0.10 0.00 -2.93 0.00 0.00 61.98 58.09 2a24 s VAL 66 Cb -0.13 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.80 2a24 s VAL 66 CO 0.03 0.22 0.29 -0.69 -3.33 0.00 0.00 175.10 171.62 2a24 s VAL 67 N -0.52 4.44 -0.08 2.04 1.01 -1.26 -2.23 120.40 123.79 2a24 s VAL 67 Ca 0.04 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 2a24 s VAL 67 Cb -0.06 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2a24 s VAL 67 CO 0.00 -0.54 0.34 -0.44 0.00 0.00 0.00 175.10 174.46 2a24 s SER 68 N 2.25 6.61 0.54 3.32 0.01 0.15 -4.98 113.70 121.61 2a24 s SER 68 Ca 0.03 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2a24 s SER 68 Cb -0.23 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2a24 s SER 68 CO 0.03 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2a24 n GLY 69 N 2.47 -0.91 3.66 3.44 0.00 -1.26 -0.92 105.19 111.67 2a24 n GLY 69 Ca -0.14 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.63 4.18 0.33 1.61 -0.21 -1.26 -4.03 119.66 118.64 2a24 s GLN 70 Ca 0.00 1.68 0.06 0.00 0.02 0.00 0.00 55.36 57.13 2a24 s GLN 70 Cb 0.00 -3.81 -0.06 0.00 1.00 0.00 0.00 33.01 30.13 2a24 s GLN 70 CO 0.00 -0.78 -0.02 1.52 -2.12 0.00 0.00 175.29 173.88 2a24 s TYR 71 N 3.71 2.13 -0.81 0.91 -0.85 -0.64 -4.86 117.35 116.95 2a24 s TYR 71 Ca 0.58 -0.73 -0.21 0.00 -0.52 0.00 0.00 57.07 56.18 2a24 s TYR 71 Cb -0.23 -1.32 0.09 0.00 0.38 0.00 0.00 41.96 40.88 2a24 s TYR 71 CO 0.18 0.29 1.10 1.03 -1.52 0.00 0.00 175.55 176.63 2a24 s ARG 72 N -3.75 3.35 0.10 -3.49 0.52 -1.26 -1.88 118.95 112.54 2a24 s ARG 72 Ca 0.33 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 2a24 s ARG 72 Cb 0.06 -4.61 -0.06 0.00 0.52 0.00 0.00 34.95 30.86 2a24 s ARG 72 CO 0.15 -1.87 1.01 1.41 0.02 0.00 0.00 175.30 176.02 2a24 s MET 73 N 3.76 4.63 -0.22 3.54 1.75 0.90 -4.51 119.30 129.15 2a24 s MET 73 Ca 0.30 1.52 -0.29 0.00 -1.25 0.00 0.00 55.69 55.96 2a24 s MET 73 Cb -0.10 -3.37 0.01 0.00 2.84 0.00 0.00 34.83 34.21 2a24 s MET 73 CO 0.01 0.10 1.04 -1.17 -0.65 0.00 0.00 175.02 174.35 2a24 s LEU 74 N 0.21 4.12 0.59 4.11 2.96 -1.26 -0.41 118.68 128.99 2a24 s LEU 74 Ca 0.49 1.40 -0.04 0.00 -0.22 0.00 0.00 54.13 55.76 2a24 s LEU 74 Cb -0.24 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 42.92 2a24 s LEU 74 CO 0.30 -0.65 0.88 0.00 -1.32 0.00 0.00 176.35 175.56 2a24 s ALA 75 N 3.09 3.41 -1.16 5.97 0.00 0.15 -4.94 121.76 128.28 2a24 s ALA 75 Ca 0.45 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 2a24 s ALA 75 Cb -0.15 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 2a24 s ALA 75 CO 0.07 -0.83 2.78 1.17 0.00 0.00 0.00 175.76 178.95 2a24 n LYS 76 N -2.55 2.94 0.00 0.00 4.81 -0.56 -2.67 118.16 120.13 2a24 n LYS 76 Ca 0.05 -1.77 0.00 0.00 -0.87 0.00 0.00 58.31 55.72 2a24 n LYS 76 Cb 0.58 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 3.56 0.00 -2.15 5.64 1.44 -1.26 -4.96 115.22 117.49 2a24 n HIS 77 Ca 0.63 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 56.18 2a24 n HIS 77 Cb 0.30 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 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 0.04 3.89 -1.39 0.00 -1.09 -5.00 105.19 101.63 2a24 n GLY 78 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.39 1.40 -0.19 -0.02 0.00 -1.25 -4.91 107.32 99.97 2a24 s GLY 79 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2a24 s GLY 79 CO 0.00 -1.32 -0.14 -0.19 0.00 0.00 0.00 173.10 171.46 2a24 s TYR 80 N -2.00 2.56 -0.16 1.90 2.02 0.39 0.34 117.35 122.41 2a24 s TYR 80 Ca 0.33 -1.62 -0.04 0.00 -0.37 0.00 0.00 57.07 55.37 2a24 s TYR 80 Cb -0.09 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2a24 s TYR 80 CO 0.27 -0.76 -0.03 0.08 -1.57 0.00 0.00 175.55 173.54 2a24 s VAL 81 N 1.35 3.93 -0.57 0.71 1.01 0.45 0.48 120.40 127.77 2a24 s VAL 81 Ca 0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2a24 s VAL 81 Cb -0.15 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2a24 s VAL 81 CO -0.10 0.48 1.23 0.26 0.00 0.00 0.00 175.10 176.98 2a24 s TRP 82 N 0.48 2.56 0.04 5.22 0.52 -1.25 -0.07 118.94 126.44 2a24 s TRP 82 Ca -0.03 0.44 0.07 0.00 0.02 0.00 0.00 56.10 56.60 2a24 s TRP 82 Cb -0.14 -4.49 -0.02 0.00 -1.15 0.00 0.00 33.47 27.66 2a24 s TRP 82 CO 0.03 -1.65 -0.20 -0.51 0.02 0.00 0.00 176.95 174.63 2a24 s LEU 83 N 5.12 2.16 0.60 2.99 1.02 -0.79 -2.73 118.68 127.05 2a24 s LEU 83 Ca 0.45 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 54.12 2a24 s LEU 83 Cb -0.08 -0.96 0.07 0.00 0.02 0.00 0.00 46.19 45.24 2a24 s LEU 83 CO 0.26 0.16 0.83 -1.61 0.02 0.00 0.00 176.35 176.01 2a24 s GLU 84 N -1.13 2.23 -0.20 1.70 2.02 0.13 -1.62 118.70 121.83 2a24 s GLU 84 Ca 0.07 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 2a24 s GLU 84 Cb -0.09 -2.50 0.09 0.00 0.10 0.00 0.00 34.13 31.73 2a24 s GLU 84 CO 0.02 -0.95 0.43 0.99 0.02 0.00 0.00 175.26 175.77 2a24 s THR 85 N -2.83 -0.57 -0.58 3.63 2.01 -0.10 -1.90 115.64 115.31 2a24 s THR 85 Ca 0.61 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 2a24 s THR 85 Cb -0.08 -0.68 0.15 0.00 0.01 0.00 0.00 72.50 71.90 2a24 s THR 85 CO 0.40 0.06 0.40 -1.58 -0.69 0.00 0.00 174.62 173.21 2a24 s GLN 86 N 2.44 2.48 -0.11 4.92 2.00 -0.30 0.32 119.66 131.43 2a24 s GLN 86 Ca -0.03 -2.34 -0.05 0.00 -2.00 0.00 0.00 55.36 50.94 2a24 s GLN 86 Cb -0.11 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 29.92 2a24 s GLN 86 CO -0.13 -1.16 0.08 0.20 -0.50 0.00 0.00 175.29 173.78 2a24 s GLY 87 N 1.10 2.04 -0.08 2.59 0.00 -0.95 -0.78 107.32 111.24 2a24 s GLY 87 Ca 0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.15 2a24 s GLY 87 CO -0.04 -0.45 -0.03 -1.59 0.00 0.00 0.00 173.10 170.99 2a24 s THR 88 N -0.96 0.59 -0.37 0.90 2.01 -0.79 -1.23 115.64 115.79 2a24 s THR 88 Ca 0.14 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 2a24 s THR 88 Cb -0.12 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2a24 s THR 88 CO 0.03 0.29 1.38 -0.69 -0.69 0.00 0.00 174.62 174.94 2a24 s VAL 89 N 1.79 3.98 -0.01 3.82 1.01 0.15 -2.81 120.40 128.33 2a24 s VAL 89 Ca 0.03 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 2a24 s VAL 89 Cb -0.13 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2a24 s VAL 89 CO -0.06 -0.65 0.09 -0.51 0.00 0.00 0.00 175.10 173.97 2a24 s ILE 90 N 5.06 4.79 0.30 2.22 1.10 -1.25 -4.93 121.20 128.49 2a24 s ILE 90 Ca 0.60 -0.37 0.06 0.00 -0.51 0.00 0.00 60.65 60.43 2a24 s ILE 90 Cb -0.15 -3.19 -0.02 0.00 0.15 0.00 0.00 42.46 39.26 2a24 s ILE 90 CO 0.29 0.36 0.41 -0.31 -2.11 0.00 0.00 174.94 173.59 2a24 s TYR 91 N -1.19 3.21 -0.35 3.50 1.51 -1.26 -0.63 117.35 122.14 2a24 s TYR 91 Ca 0.23 -0.16 -0.07 0.00 -1.01 0.00 0.00 57.07 56.06 2a24 s TYR 91 Cb -0.12 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2a24 s TYR 91 CO 0.14 0.16 0.12 1.21 -1.11 0.00 0.00 175.55 176.07 2a24 s ASN 92 N -4.09 5.37 0.41 2.29 3.84 0.16 -4.63 114.94 118.29 2a24 s ASN 92 Ca 0.41 -1.16 0.16 0.00 0.21 0.00 0.00 52.86 52.47 2a24 s ASN 92 Cb -0.09 -1.89 1.04 0.00 -0.55 0.00 0.00 41.25 39.76 2a24 s ASN 92 CO 0.30 -0.35 1.86 1.55 -2.79 0.00 0.00 177.10 177.67 2a24 h PRO 93 N 8.24 0.44 0.00 0.43 0.13 -1.96 0.44 132.00 139.73 2a24 h PRO 93 Ca -0.23 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 2a24 h PRO 93 Cb 1.08 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.12 2a24 h PRO 93 CO 0.62 0.29 -0.46 -0.09 -0.23 0.00 0.00 178.00 178.12 2a24 h ARG 94 N 0.46 0.31 0.00 0.86 2.43 -1.94 -3.27 114.38 113.23 2a24 h ARG 94 Ca 0.47 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2a24 h ARG 94 Cb 1.08 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2a24 h ARG 94 CO -0.19 1.04 0.00 -0.91 -1.51 0.00 0.00 179.97 178.40 2a24 h ASN 95 N -0.28 0.00 -0.57 -3.80 4.21 -1.81 -3.46 115.58 109.88 2a24 h ASN 95 Ca -0.06 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.21 2a24 h ASN 95 Cb 1.20 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.31 2a24 h ASN 95 CO 0.09 0.00 -0.22 0.18 -1.29 0.00 0.00 177.43 176.19 2a24 n LEU 96 N -2.99 -0.83 -4.03 1.61 4.77 0.15 -4.97 117.00 110.72 2a24 n LEU 96 Ca 0.03 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 2a24 n LEU 96 Cb 0.41 -1.92 -0.07 0.00 -2.33 0.00 0.00 43.42 39.52 2a24 n LEU 96 CO 0.30 -0.66 0.05 0.00 -1.33 0.00 0.00 177.39 175.75 2a24 s GLN 97 N -2.96 1.39 0.67 3.23 -2.07 -1.19 -4.96 119.66 113.78 2a24 s GLN 97 Ca 0.00 -1.31 -0.17 0.00 -1.82 0.00 0.00 55.36 52.06 2a24 s GLN 97 Cb 0.00 0.41 -0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2a24 s GLN 97 CO 0.00 -0.55 1.14 -0.35 -1.32 0.00 0.00 175.29 174.22 2a24 n PRO 98 N -0.33 0.83 0.00 9.60 -0.04 -1.26 0.39 135.00 144.19 2a24 n PRO 98 Ca -0.02 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2a24 n PRO 98 Cb 0.63 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2a24 n PRO 98 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2a24 n GLN 99 N -1.87 0.00 -4.36 0.54 -0.06 0.20 -4.59 117.38 107.24 2a24 n GLN 99 Ca 0.15 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.94 2a24 n GLN 99 Cb 0.48 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.51 2a24 n GLN 99 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2a24 s ILE 101 N 0.37 4.34 -0.38 0.00 1.01 0.15 -3.95 121.20 122.75 2a24 s ILE 101 Ca -0.06 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 2a24 s ILE 101 Cb -0.10 -4.58 0.01 0.00 0.01 0.00 0.00 42.46 37.79 2a24 s ILE 101 CO 0.01 -1.21 1.38 0.00 0.00 0.00 0.00 174.94 175.12 2a24 s MET 102 N 4.05 3.68 -0.23 2.79 0.23 -1.12 -0.28 119.30 128.42 2a24 s MET 102 Ca 0.29 1.03 -0.03 0.00 -1.03 0.00 0.00 55.69 55.95 2a24 s MET 102 Cb -0.13 -3.98 0.00 0.00 -1.53 0.00 0.00 34.83 29.19 2a24 s MET 102 CO 0.18 -1.43 -0.06 0.00 -2.03 0.00 0.00 175.02 171.68 2a24 s VAL 104 N 1.42 4.65 -0.51 0.00 1.01 0.04 -0.33 120.40 126.68 2a24 s VAL 104 Ca 0.04 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.49 2a24 s VAL 104 Cb -0.15 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 32.00 2a24 s VAL 104 CO -0.04 -0.31 0.64 0.20 0.00 0.00 0.00 175.10 175.58 2a24 s ASN 105 N 1.50 6.22 -0.35 3.32 -0.87 -0.25 -1.14 114.94 123.37 2a24 s ASN 105 Ca 0.41 -0.95 -0.22 0.00 -1.57 0.00 0.00 52.86 50.53 2a24 s ASN 105 Cb -0.14 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 2a24 s ASN 105 CO 0.12 -0.91 0.73 -0.31 -2.57 0.00 0.00 177.10 174.15 2a24 s TYR 106 N 2.65 3.14 -0.14 2.20 2.02 -0.80 -2.94 117.35 123.48 2a24 s TYR 106 Ca 0.15 0.54 -0.21 0.00 -0.37 0.00 0.00 57.07 57.18 2a24 s TYR 106 Cb -0.20 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.06 2a24 s TYR 106 CO 0.11 -0.66 0.60 0.08 -1.57 0.00 0.00 175.55 174.11 2a24 s VAL 107 N 2.94 5.08 0.00 0.71 1.01 -1.15 0.22 120.40 129.20 2a24 s VAL 107 Ca 0.29 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2a24 s VAL 107 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2a24 s VAL 107 CO 0.15 0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.65 2a24 n LEU 108 N 4.29 1.13 -5.00 3.92 4.77 -1.10 -4.46 117.00 120.54 2a24 n LEU 108 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 2a24 n LEU 108 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2a24 n LEU 108 CO 0.44 0.17 0.23 -0.44 -1.33 0.00 0.00 177.39 176.47 2a24 s SER 109 N -4.59 5.49 0.85 -1.43 0.01 -1.23 -5.07 113.70 107.74 2a24 s SER 109 Ca 0.00 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 2a24 s SER 109 Cb 0.00 -0.66 0.10 0.00 0.21 0.00 0.00 66.02 65.68 2a24 s SER 109 CO 0.00 -0.92 0.63 -1.84 0.41 0.00 0.00 173.24 171.52 2a24 n GLU 110 N -2.03 -0.35 -3.07 12.44 0.00 -1.26 -4.39 120.64 121.97 2a24 n GLU 110 Ca 0.09 -1.19 -0.40 0.00 0.00 0.00 0.00 57.16 55.65 2a24 n GLU 110 Cb 0.59 -0.58 -0.06 0.00 0.00 0.00 0.00 31.44 31.40 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 -2.15 4.98 -2.33 3.84 1.01 -1.26 -3.95 121.20 121.33 2a24 s ILE 111 Ca 0.37 1.25 0.29 0.00 0.00 0.00 0.00 60.65 62.57 2a24 s ILE 111 Cb -0.01 -3.98 0.67 0.00 0.01 0.00 0.00 42.46 39.15 2a24 s ILE 111 CO 0.26 0.06 1.91 -0.62 0.00 0.00 0.00 174.94 176.55