#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 0.72 0.20 3.15 -4.23 -1.26 -3.82 115.64 110.39 2a24 s THR 7 Ca 0.00 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.49 2a24 s THR 7 Cb 0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 2a24 s THR 7 CO 0.00 -0.16 0.39 0.72 -0.54 0.00 0.00 174.62 175.03 2a24 s PHE 8 N -0.96 0.29 0.18 3.99 -0.71 -1.13 -4.98 117.98 114.65 2a24 s PHE 8 Ca -0.04 -0.64 0.02 0.00 -1.04 0.00 0.00 56.93 55.23 2a24 s PHE 8 Cb -0.08 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2a24 s PHE 8 CO 0.01 -0.84 0.32 -0.51 -1.34 0.00 0.00 175.22 172.86 2a24 s LEU 9 N -2.97 4.31 -0.11 -1.99 2.01 -1.26 -2.58 118.68 116.09 2a24 s LEU 9 Ca 0.17 0.21 -0.04 0.00 0.01 0.00 0.00 54.13 54.49 2a24 s LEU 9 Cb 0.01 -2.96 0.06 0.00 0.01 0.00 0.00 46.19 43.31 2a24 s LEU 9 CO 0.02 0.01 0.18 -0.44 1.01 0.00 0.00 176.35 177.13 2a24 s SER 10 N -3.35 0.85 -0.34 2.29 0.01 -0.94 -3.48 113.70 108.74 2a24 s SER 10 Ca 0.35 0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.76 2a24 s SER 10 Cb -0.11 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2a24 s SER 10 CO 0.29 -0.26 0.18 -0.60 0.41 0.00 0.00 173.24 173.26 2a24 s ARG 11 N 2.31 3.21 0.04 12.44 3.52 -0.36 -1.49 118.95 138.63 2a24 s ARG 11 Ca 0.03 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.86 2a24 s ARG 11 Cb -0.13 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 2a24 s ARG 11 CO -0.07 -0.51 -0.05 -1.01 -0.81 0.00 0.00 175.30 172.85 2a24 s HIS 12 N 1.62 2.92 0.24 5.12 3.76 -0.87 -0.97 115.29 127.11 2a24 s HIS 12 Ca 0.04 -0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 2a24 s HIS 12 Cb -0.18 -1.57 0.04 0.00 1.11 0.00 0.00 32.58 31.99 2a24 s HIS 12 CO 0.07 0.42 0.84 -1.12 -0.85 0.00 0.00 174.74 174.10 2a24 s SER 13 N -1.80 -0.17 1.95 1.40 0.01 -0.72 -1.42 113.70 112.94 2a24 s SER 13 Ca 0.20 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2a24 s SER 13 Cb -0.11 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2a24 s SER 13 CO 0.12 -1.21 0.00 0.23 0.41 0.00 0.00 173.24 172.79 2a24 n MET 14 N -0.49 0.00 -0.97 12.44 2.81 -1.26 -2.09 117.12 127.56 2a24 n MET 14 Ca -0.05 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.72 2a24 n MET 14 Cb 0.60 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.00 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 6.65 5.54 0.00 7.83 5.75 -1.26 -4.65 116.55 136.40 2a24 n ASP 15 Ca 0.00 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2a24 n ASP 15 Cb 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 38.78 2a24 n ASP 15 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 2a24 n MET 16 N 1.90 -1.52 -1.47 0.11 0.00 -1.00 -4.80 117.12 110.35 2a24 n MET 16 Ca 0.34 0.38 -0.29 0.00 0.00 0.00 0.00 57.70 58.13 2a24 n MET 16 Cb 0.75 -4.71 0.18 0.00 0.00 0.00 0.00 33.22 29.43 2a24 n MET 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2a24 s LYS 17 N -1.65 0.37 0.02 3.17 -2.85 -0.89 -4.48 119.74 113.44 2a24 s LYS 17 Ca 0.00 0.07 -0.27 0.00 -1.00 0.00 0.00 55.97 54.77 2a24 s LYS 17 Cb 0.00 -1.77 -0.04 0.00 -2.06 0.00 0.00 37.83 33.96 2a24 s LYS 17 CO 0.00 -2.68 0.86 -0.06 0.10 0.00 0.00 175.35 173.57 2a24 s PHE 18 N -3.31 3.70 -0.06 1.78 0.08 -1.19 -1.76 117.98 117.23 2a24 s PHE 18 Ca 0.68 1.57 0.07 0.00 0.12 0.00 0.00 56.93 59.36 2a24 s PHE 18 Cb -0.12 -2.95 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 2a24 s PHE 18 CO 0.54 0.14 0.07 2.41 -0.10 0.00 0.00 175.22 178.28 2a24 n THR 19 N 3.31 0.37 -3.63 0.64 -1.04 -0.15 -0.86 114.28 112.92 2a24 n THR 19 Ca 0.01 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.05 61.60 2a24 n THR 19 Cb 0.50 -0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.29 -0.76 0.50 -1.42 5.04 -1.16 -4.77 117.35 112.49 2a24 s TYR 20 Ca -0.04 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.45 2a24 s TYR 20 Cb 0.03 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.60 2a24 s TYR 20 CO 0.32 -0.37 0.04 0.00 -1.34 0.00 0.00 175.55 174.19 2a24 s ASP 22 N -3.80 4.54 0.00 0.00 2.15 -1.23 -4.95 116.67 113.39 2a24 s ASP 22 Ca 0.05 -0.55 0.22 0.00 0.43 0.00 0.00 52.55 52.70 2a24 s ASP 22 Cb 0.00 -0.87 1.30 0.00 -0.30 0.00 0.00 42.92 43.05 2a24 s ASP 22 CO 0.04 0.06 1.76 -0.90 -0.17 0.00 0.00 175.17 175.95 2a24 n ASP 23 N -0.40 0.00 -0.98 -0.34 5.75 -1.26 -2.70 116.55 116.62 2a24 n ASP 23 Ca -0.09 -1.06 0.11 0.00 -0.01 0.00 0.00 54.79 53.74 2a24 n ASP 23 Cb 0.57 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.82 2a24 n ASP 23 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2a24 n ARG 24 N -0.89 2.24 0.06 0.11 1.74 -1.26 -4.30 116.66 114.36 2a24 n ARG 24 Ca 0.16 -2.05 0.04 0.00 -0.77 0.00 0.00 57.85 55.23 2a24 n ARG 24 Cb 0.07 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 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 4.05 0.36 -0.50 0.55 2.10 -1.86 -3.36 117.51 118.85 2a24 h ILE 25 Ca 0.00 -1.69 -0.04 0.00 1.08 0.00 0.00 64.86 64.20 2a24 h ILE 25 Cb 0.90 1.89 -0.02 0.00 -1.09 0.00 0.00 36.82 38.50 2a24 h ILE 25 CO 0.00 0.20 0.14 0.74 -1.08 0.00 0.00 178.15 178.16 2a24 h THR 26 N 0.00 1.21 -0.24 2.19 2.02 -1.75 0.15 112.91 116.49 2a24 h THR 26 Ca -0.11 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2a24 h THR 26 Cb 1.40 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2a24 h THR 26 CO 0.03 0.27 0.00 -0.62 0.37 0.00 0.00 175.52 175.57 2a24 n GLU 27 N -4.30 1.70 0.00 6.66 -0.58 -1.26 -1.96 120.64 120.89 2a24 n GLU 27 Ca 0.04 -1.07 0.00 0.00 -0.42 0.00 0.00 57.16 55.71 2a24 n GLU 27 Cb 0.20 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2a24 n GLU 27 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2a24 n LEU 28 N 0.32 1.02 -0.07 -4.62 4.77 -0.78 -4.83 117.00 112.82 2a24 n LEU 28 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 2a24 n LEU 28 Cb 0.28 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 2a24 n LEU 28 CO 0.10 0.15 -1.02 -0.38 -1.33 0.00 0.00 177.39 174.92 2a24 n ILE 29 N -2.79 0.92 -0.22 -0.08 2.08 0.46 -4.96 119.36 114.77 2a24 n ILE 29 Ca 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.57 2a24 n ILE 29 Cb 0.48 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 2a24 n ILE 29 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2a24 n GLY 30 N 1.58 1.34 3.80 7.39 0.00 -0.83 -0.15 105.19 118.32 2a24 n GLY 30 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.78 3.74 0.18 1.61 2.02 -1.26 -4.78 117.35 116.08 2a24 s TYR 31 Ca 0.00 1.15 -0.30 0.00 -0.37 0.00 0.00 57.07 57.55 2a24 s TYR 31 Cb 0.00 -2.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.01 2a24 s TYR 31 CO 0.00 0.52 1.19 -1.01 -1.57 0.00 0.00 175.55 174.68 2a24 s HIS 32 N -0.78 3.44 0.25 2.71 3.76 -1.26 -3.92 115.29 119.49 2a24 s HIS 32 Ca 0.28 1.43 -0.05 0.00 -0.15 0.00 0.00 55.06 56.57 2a24 s HIS 32 Cb -0.18 -3.42 0.47 0.00 1.11 0.00 0.00 32.58 30.56 2a24 s HIS 32 CO 0.16 -1.17 1.68 -1.35 -0.85 0.00 0.00 174.74 173.21 2a24 h PRO 33 N 5.24 0.25 0.00 8.40 0.11 -1.96 0.19 132.00 144.23 2a24 h PRO 33 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a24 h PRO 33 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2a24 h PRO 33 CO 0.74 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.75 2a24 h GLU 34 N 0.26 0.00 0.00 1.05 9.09 -1.92 -2.00 114.58 121.06 2a24 h GLU 34 Ca 0.42 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.63 2a24 h GLU 34 Cb 0.73 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.80 2a24 h GLU 34 CO -0.53 0.00 -1.05 0.93 0.05 0.00 0.00 179.01 178.41 2a24 h GLU 35 N 0.00 0.00 0.03 1.06 4.39 -1.04 -3.34 114.58 115.68 2a24 h GLU 35 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2a24 h GLU 35 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2a24 h GLU 35 CO 0.00 0.77 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.26 2a24 h LEU 36 N 0.00 0.20 -9.67 1.33 3.38 -0.75 -3.42 115.31 106.39 2a24 h LEU 36 Ca -0.07 -0.88 -0.52 0.00 0.09 0.00 0.00 57.88 56.50 2a24 h LEU 36 Cb 1.73 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.43 2a24 h LEU 36 CO 0.10 1.06 0.57 -1.48 0.09 0.00 0.00 178.44 178.79 2a24 s LEU 37 N -8.30 4.44 0.00 1.67 0.05 -0.80 -2.94 118.68 112.81 2a24 s LEU 37 Ca -0.16 2.26 0.00 0.00 0.05 0.00 0.00 54.13 56.28 2a24 s LEU 37 Cb -0.00 -3.61 0.00 0.00 -2.05 0.00 0.00 46.19 40.53 2a24 s LEU 37 CO 0.74 -0.40 0.00 0.61 -0.55 0.00 0.00 176.35 176.75 2a24 n GLY 38 N 2.22 2.40 3.92 -3.48 0.00 -0.04 -4.88 105.19 105.33 2a24 n GLY 38 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.19 2.42 0.41 1.61 1.70 -1.15 -4.98 118.95 118.76 2a24 s ARG 39 Ca 0.00 -1.69 -0.24 0.00 -0.47 0.00 0.00 55.73 53.33 2a24 s ARG 39 Cb 0.00 -2.35 -0.09 0.00 -0.57 0.00 0.00 34.95 31.94 2a24 s ARG 39 CO 0.00 -0.44 1.08 -1.12 -1.08 0.00 0.00 175.30 173.74 2a24 s SER 40 N -4.27 6.65 0.08 -2.89 0.01 -1.26 -3.14 113.70 108.87 2a24 s SER 40 Ca 0.46 2.11 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 2a24 s SER 40 Cb -0.04 -2.59 -0.26 0.00 0.21 0.00 0.00 66.02 63.34 2a24 s SER 40 CO 0.28 -0.57 1.15 0.00 0.41 0.00 0.00 173.24 174.50 2a24 h ALA 41 N 2.46 0.18 0.00 1.44 0.00 -1.87 -3.24 119.26 118.24 2a24 h ALA 41 Ca -0.48 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.51 2a24 h ALA 41 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2a24 h ALA 41 CO 0.62 1.07 0.00 0.66 0.00 0.00 0.00 179.25 181.60 2a24 n TYR 42 N -3.47 0.47 0.15 0.00 4.01 -1.26 -0.13 117.16 116.93 2a24 n TYR 42 Ca -0.07 0.24 0.02 0.00 -0.16 0.00 0.00 57.90 57.93 2a24 n TYR 42 Cb 1.00 -0.89 0.36 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.13 0.00 -0.72 5.08 -1.96 -3.33 114.58 113.78 2a24 h GLU 43 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2a24 h GLU 43 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2a24 h GLU 43 CO 0.00 0.40 0.00 1.97 -1.00 0.00 0.00 179.01 180.38 2a24 n PHE 44 N -4.17 0.00 -2.64 4.33 1.16 -0.62 -5.03 117.46 110.49 2a24 n PHE 44 Ca -0.01 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.14 2a24 n PHE 44 Cb 0.35 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.20 2a24 n PHE 44 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2a24 s TYR 45 N -0.11 2.69 0.22 2.97 1.51 0.82 -1.28 117.35 124.17 2a24 s TYR 45 Ca 0.00 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.46 2a24 s TYR 45 Cb 0.00 -4.40 0.00 0.00 -0.11 0.00 0.00 41.96 37.45 2a24 s TYR 45 CO 0.00 -1.46 0.00 0.72 -1.11 0.00 0.00 175.55 173.70 2a24 n HIS 46 N 8.10 -1.92 0.00 2.71 8.25 -1.10 -4.76 115.22 126.50 2a24 n HIS 46 Ca 0.08 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 2a24 n HIS 46 Cb 0.49 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 29.86 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 -2.42 1.37 0.77 -1.41 0.00 -1.26 -4.69 120.51 112.87 2a24 n ALA 47 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 2a24 n ALA 47 Cb 0.35 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.61 0.50 -0.98 0.00 -0.00 -1.26 -3.20 117.00 111.46 2a24 n LEU 48 Ca 0.00 0.53 -0.01 0.00 -0.00 0.00 0.00 56.01 56.53 2a24 n LEU 48 Cb 0.00 -0.38 0.20 0.00 -0.00 0.00 0.00 43.42 43.24 2a24 n LEU 48 CO 0.00 -0.11 0.58 -0.90 -0.00 0.00 0.00 177.39 176.97 2a24 n ASP 49 N -1.96 2.21 0.11 1.45 5.75 -1.26 -4.70 116.55 118.14 2a24 n ASP 49 Ca 0.06 -3.82 0.01 0.00 -0.01 0.00 0.00 54.79 51.02 2a24 n ASP 49 Cb 0.40 -0.60 0.32 0.00 -1.03 0.00 0.00 41.12 40.21 2a24 n ASP 49 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2a24 h SER 50 N 1.00 0.23 -0.14 -1.12 0.02 -1.86 -2.34 113.55 109.34 2a24 h SER 50 Ca 0.15 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2a24 h SER 50 Cb 1.44 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 2a24 h SER 50 CO 0.26 0.48 0.09 -0.08 -1.14 0.00 0.00 176.83 176.44 2a24 h GLU 51 N 0.21 0.20 -0.74 3.45 4.57 -1.88 -1.37 114.58 119.02 2a24 h GLU 51 Ca 0.03 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2a24 h GLU 51 Cb 0.55 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2a24 h GLU 51 CO 0.04 0.15 0.30 -0.97 -1.18 0.00 0.00 179.01 177.35 2a24 h ASN 52 N 0.21 1.02 -0.33 1.04 -0.73 -1.79 0.11 115.58 115.11 2a24 h ASN 52 Ca 0.06 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.00 2a24 h ASN 52 Cb 0.00 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 2a24 h ASN 52 CO -0.01 0.90 -0.08 -0.03 -0.37 0.00 0.00 177.43 177.85 2a24 h MET 53 N 1.08 0.63 -0.70 6.67 4.05 -1.32 -0.69 114.93 124.64 2a24 h MET 53 Ca 0.25 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2a24 h MET 53 Cb 0.20 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2a24 h MET 53 CO -0.02 0.80 0.27 1.15 0.23 0.00 0.00 176.91 179.34 2a24 h THR 54 N 0.41 1.25 -0.56 -0.77 2.02 -1.14 0.81 112.91 114.93 2a24 h THR 54 Ca 0.08 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 2a24 h THR 54 Cb 0.57 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2a24 h THR 54 CO 0.03 0.32 0.17 0.50 0.37 0.00 0.00 175.52 176.91 2a24 h LYS 55 N 1.01 0.88 -0.21 6.66 1.63 -0.62 0.50 116.57 126.42 2a24 h LYS 55 Ca 0.23 -0.20 -0.12 0.00 -0.85 0.00 0.00 60.65 59.71 2a24 h LYS 55 Cb 0.23 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2a24 h LYS 55 CO -0.02 0.81 -0.39 0.77 -3.45 0.00 0.00 179.45 177.17 2a24 h SER 56 N 0.79 0.50 -0.06 4.20 0.02 -0.85 -2.55 113.55 115.61 2a24 h SER 56 Ca 0.18 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2a24 h SER 56 Cb 0.30 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2a24 h SER 56 CO -0.00 0.85 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.77 2a24 h HIS 57 N 0.40 0.14 -0.58 3.45 -0.00 -0.45 0.27 115.15 118.38 2a24 h HIS 57 Ca 0.04 -0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2a24 h HIS 57 Cb 0.86 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.19 2a24 h HIS 57 CO 0.03 0.51 0.28 0.37 -0.00 0.00 0.00 177.93 179.11 2a24 h GLN 58 N -0.26 0.51 -0.23 5.26 4.15 -0.90 0.62 115.11 124.25 2a24 h GLN 58 Ca 0.01 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2a24 h GLN 58 Cb 0.47 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2a24 h GLN 58 CO 0.01 0.34 -0.08 -0.97 -1.93 0.00 0.00 178.83 176.20 2a24 h ASN 59 N 0.52 0.47 -0.84 -0.69 -1.24 -1.44 -3.17 115.58 109.19 2a24 h ASN 59 Ca 0.27 -0.39 0.03 0.00 0.71 0.00 0.00 56.30 56.92 2a24 h ASN 59 Cb 0.21 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 2a24 h ASN 59 CO -0.20 0.75 0.54 0.25 -1.29 0.00 0.00 177.43 177.48 2a24 h LEU 60 N 0.19 0.90 -2.57 0.34 5.85 -0.43 -1.58 115.31 118.00 2a24 h LEU 60 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2a24 h LEU 60 Cb 0.56 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2a24 h LEU 60 CO 0.03 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 2a24 n THR 62 N -3.08 2.05 0.00 0.00 -1.04 -0.64 -4.72 114.28 106.84 2a24 n THR 62 Ca -0.02 -3.11 0.00 0.00 -2.04 0.00 0.00 64.05 58.88 2a24 n THR 62 Cb 0.13 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 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 -0.98 0.00 0.00 -2.82 4.76 -0.76 -5.02 118.16 113.33 2a24 n LYS 63 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2a24 n LYS 63 Cb 0.73 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 0.86 1.69 3.03 0.72 0.00 0.25 -4.97 105.19 106.77 2a24 n GLY 64 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.46 0.19 0.03 1.61 2.00 -1.25 0.03 119.66 121.81 2a24 s GLN 65 Ca 0.00 0.75 0.03 0.00 -2.00 0.00 0.00 55.36 54.13 2a24 s GLN 65 Cb 0.00 -0.08 -0.02 0.00 0.80 0.00 0.00 33.01 33.71 2a24 s GLN 65 CO 0.00 -0.33 -0.08 0.54 -0.50 0.00 0.00 175.29 174.92 2a24 s VAL 66 N 2.45 0.63 -0.28 1.34 0.11 0.38 -4.82 120.40 120.22 2a24 s VAL 66 Ca 0.02 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 2a24 s VAL 66 Cb -0.12 -0.63 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2a24 s VAL 66 CO -0.10 -0.15 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.80 2a24 s VAL 67 N -0.89 1.87 0.22 2.04 1.01 -1.26 -1.00 120.40 122.40 2a24 s VAL 67 Ca -0.04 -1.66 0.04 0.00 0.00 0.00 0.00 61.98 60.32 2a24 s VAL 67 Cb -0.07 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2a24 s VAL 67 CO 0.00 -0.25 0.36 -0.44 0.00 0.00 0.00 175.10 174.77 2a24 s SER 68 N 1.19 6.33 0.00 3.32 0.01 -1.15 -5.05 113.70 118.35 2a24 s SER 68 Ca -0.01 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2a24 s SER 68 Cb -0.19 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2a24 s SER 68 CO -0.08 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2a24 n GLY 69 N -1.19 1.55 3.80 3.44 0.00 -1.26 -4.33 105.19 107.20 2a24 n GLY 69 Ca -0.08 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 3.62 4.01 0.26 1.61 -0.21 -1.26 -3.84 119.66 123.85 2a24 s GLN 70 Ca 0.00 0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.70 2a24 s GLN 70 Cb 0.00 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.67 2a24 s GLN 70 CO 0.00 0.53 0.10 1.52 -2.12 0.00 0.00 175.29 175.32 2a24 s TYR 71 N -0.50 1.53 -0.38 0.91 -0.85 0.10 -4.91 117.35 113.24 2a24 s TYR 71 Ca 0.22 -1.21 -0.14 0.00 -0.52 0.00 0.00 57.07 55.42 2a24 s TYR 71 Cb -0.15 -0.88 0.01 0.00 0.38 0.00 0.00 41.96 41.31 2a24 s TYR 71 CO 0.10 -0.36 0.27 1.03 -1.52 0.00 0.00 175.55 175.07 2a24 s ARG 72 N -4.02 3.15 -0.12 -3.49 0.52 -1.26 -1.00 118.95 112.72 2a24 s ARG 72 Ca 0.38 -0.89 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 2a24 s ARG 72 Cb 0.08 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.60 2a24 s ARG 72 CO 0.14 -0.64 0.26 1.41 0.02 0.00 0.00 175.30 176.50 2a24 s MET 73 N 1.68 3.98 -0.28 3.54 -2.45 0.12 -2.72 119.30 123.18 2a24 s MET 73 Ca 0.05 0.08 -0.29 0.00 -1.25 0.00 0.00 55.69 54.28 2a24 s MET 73 Cb -0.18 -3.32 0.01 0.00 1.25 0.00 0.00 34.83 32.58 2a24 s MET 73 CO 0.10 0.47 1.14 -1.17 1.05 0.00 0.00 175.02 176.61 2a24 s LEU 74 N -0.24 3.99 0.58 4.11 2.96 -0.41 -0.22 118.68 129.46 2a24 s LEU 74 Ca 0.17 1.24 -0.07 0.00 -0.22 0.00 0.00 54.13 55.25 2a24 s LEU 74 Cb -0.13 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2a24 s LEU 74 CO 0.05 -0.86 0.91 0.00 -1.32 0.00 0.00 176.35 175.13 2a24 s ALA 75 N 3.68 3.27 -0.36 5.97 0.00 0.12 -4.88 121.76 129.56 2a24 s ALA 75 Ca 0.48 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2a24 s ALA 75 Cb -0.15 -2.67 -0.20 0.00 0.00 0.00 0.00 23.12 20.10 2a24 s ALA 75 CO 0.15 -0.75 3.18 1.17 0.00 0.00 0.00 175.76 179.51 2a24 n LYS 76 N -2.58 2.18 -0.51 0.00 4.81 0.78 -2.80 118.16 120.04 2a24 n LYS 76 Ca 0.04 -1.18 -0.02 0.00 -0.87 0.00 0.00 58.31 56.28 2a24 n LYS 76 Cb 0.57 -2.14 -0.02 0.00 0.02 0.00 0.00 35.03 33.46 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 2.84 0.00 -2.24 5.64 1.44 -1.26 -4.95 115.22 116.68 2a24 n HIS 77 Ca 0.47 -0.13 -0.13 0.00 -2.01 0.00 0.00 57.72 55.92 2a24 n HIS 77 Cb 0.67 0.29 -0.01 0.00 0.12 0.00 0.00 29.99 31.07 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 -0.16 3.75 -1.39 0.00 -1.12 -5.02 105.19 101.25 2a24 n GLY 78 Ca -0.07 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 1.85 -0.28 -0.02 0.00 -1.25 -4.94 107.32 100.27 2a24 s GLY 79 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2a24 s GLY 79 CO 0.00 -1.70 0.04 -0.19 0.00 0.00 0.00 173.10 171.24 2a24 s TYR 80 N -2.37 2.12 -0.04 1.90 2.02 -1.25 0.16 117.35 119.88 2a24 s TYR 80 Ca 0.37 -1.81 -0.19 0.00 -0.37 0.00 0.00 57.07 55.07 2a24 s TYR 80 Cb -0.04 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2a24 s TYR 80 CO 0.23 -0.82 0.55 0.08 -1.57 0.00 0.00 175.55 174.02 2a24 s VAL 81 N 1.48 5.01 -0.35 0.71 1.01 0.69 0.31 120.40 129.26 2a24 s VAL 81 Ca 0.04 1.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 2a24 s VAL 81 Cb -0.18 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2a24 s VAL 81 CO -0.15 0.40 0.92 0.26 0.00 0.00 0.00 175.10 176.53 2a24 s TRP 82 N 0.01 3.11 0.22 5.22 0.52 0.01 0.13 118.94 128.17 2a24 s TRP 82 Ca 0.29 0.83 0.05 0.00 0.02 0.00 0.00 56.10 57.29 2a24 s TRP 82 Cb -0.17 -3.58 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 2a24 s TRP 82 CO 0.15 -0.77 -0.05 -0.51 0.02 0.00 0.00 176.95 175.78 2a24 s LEU 83 N 3.40 2.38 0.04 2.99 1.02 -0.17 -3.61 118.68 124.73 2a24 s LEU 83 Ca 0.38 -1.15 0.08 0.00 0.02 0.00 0.00 54.13 53.46 2a24 s LEU 83 Cb -0.12 -0.43 -0.03 0.00 0.02 0.00 0.00 46.19 45.63 2a24 s LEU 83 CO 0.17 -0.39 -0.23 -1.61 0.02 0.00 0.00 176.35 174.31 2a24 s GLU 84 N -3.78 1.58 -0.05 1.70 8.01 0.10 0.01 118.70 126.27 2a24 s GLU 84 Ca 0.26 -1.00 -0.02 0.00 0.01 0.00 0.00 54.97 54.22 2a24 s GLU 84 Cb 0.04 -1.71 0.04 0.00 -4.31 0.00 0.00 34.13 28.18 2a24 s GLU 84 CO 0.08 0.44 0.10 0.99 0.01 0.00 0.00 175.26 176.88 2a24 s THR 85 N -0.79 -0.06 -0.18 3.63 2.01 -1.25 0.43 115.64 119.43 2a24 s THR 85 Ca 0.09 0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 2a24 s THR 85 Cb -0.09 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 2a24 s THR 85 CO 0.02 0.08 0.14 -1.58 -0.69 0.00 0.00 174.62 172.59 2a24 s GLN 86 N 1.19 3.98 -0.25 4.92 2.00 0.10 -2.96 119.66 128.65 2a24 s GLN 86 Ca -0.08 -0.19 -0.08 0.00 -2.00 0.00 0.00 55.36 53.01 2a24 s GLN 86 Cb -0.12 -3.36 -0.03 0.00 0.80 0.00 0.00 33.01 30.30 2a24 s GLN 86 CO -0.05 0.43 0.09 0.20 -0.50 0.00 0.00 175.29 175.47 2a24 s GLY 87 N -0.03 1.79 -0.25 2.59 0.00 -0.17 -0.00 107.32 111.25 2a24 s GLY 87 Ca 0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 2a24 s GLY 87 CO -0.00 0.55 0.00 -1.59 0.00 0.00 0.00 173.10 172.06 2a24 s THR 88 N 1.63 1.23 -0.04 0.90 2.01 0.44 -0.47 115.64 121.34 2a24 s THR 88 Ca 0.06 -1.18 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 2a24 s THR 88 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2a24 s THR 88 CO 0.05 -0.27 0.72 -0.69 -0.69 0.00 0.00 174.62 173.74 2a24 s VAL 89 N 1.51 4.98 -0.25 3.82 1.01 0.10 -1.27 120.40 130.31 2a24 s VAL 89 Ca -0.01 1.49 -0.10 0.00 0.00 0.00 0.00 61.98 63.36 2a24 s VAL 89 Cb -0.18 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2a24 s VAL 89 CO -0.10 0.28 0.14 -0.51 0.00 0.00 0.00 175.10 174.90 2a24 s ILE 90 N 0.61 5.02 -0.16 2.22 1.10 -0.79 -4.87 121.20 124.34 2a24 s ILE 90 Ca 0.38 0.07 -0.16 0.00 -0.51 0.00 0.00 60.65 60.43 2a24 s ILE 90 Cb -0.18 -3.35 -0.04 0.00 0.15 0.00 0.00 42.46 39.03 2a24 s ILE 90 CO 0.19 0.33 0.39 -0.31 -2.11 0.00 0.00 174.94 173.42 2a24 s TYR 91 N 1.34 3.45 -0.10 3.50 2.02 -1.26 -0.39 117.35 125.91 2a24 s TYR 91 Ca 0.06 0.70 -0.28 0.00 -0.37 0.00 0.00 57.07 57.18 2a24 s TYR 91 Cb -0.15 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2a24 s TYR 91 CO 0.06 0.14 0.95 1.21 -1.57 0.00 0.00 175.55 176.34 2a24 s ASN 92 N 0.69 7.19 0.00 2.29 3.84 -0.12 -4.85 114.94 123.98 2a24 s ASN 92 Ca 0.20 1.45 0.15 0.00 0.21 0.00 0.00 52.86 54.88 2a24 s ASN 92 Cb -0.14 -2.53 0.74 0.00 -0.55 0.00 0.00 41.25 38.78 2a24 s ASN 92 CO 0.07 -0.39 1.43 -0.81 -2.79 0.00 0.00 177.10 174.62 2a24 n PRO 93 N 4.81 0.18 -0.11 0.43 -0.04 -1.26 0.12 135.00 139.13 2a24 n PRO 93 Ca 0.07 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2a24 n PRO 93 Cb 0.49 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 2a24 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a24 n ARG 94 N -1.32 0.70 -0.01 0.54 1.74 -1.26 -4.46 116.66 112.59 2a24 n ARG 94 Ca 0.07 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 2a24 n ARG 94 Cb 0.13 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 29.89 2a24 n ARG 94 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2a24 n ASN 95 N -2.87 0.03 -1.65 0.55 5.15 -1.11 -4.98 115.26 110.39 2a24 n ASN 95 Ca -0.36 0.01 -0.16 0.00 -0.60 0.00 0.00 54.58 53.48 2a24 n ASN 95 Cb 1.11 1.91 -0.02 0.00 -0.53 0.00 0.00 39.78 42.25 2a24 n ASN 95 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2a24 n LEU 96 N -2.29 -1.58 -4.07 1.20 7.99 0.12 -4.99 117.00 113.38 2a24 n LEU 96 Ca -0.05 0.08 -0.10 0.00 -0.01 0.00 0.00 56.01 55.93 2a24 n LEU 96 Cb 0.59 -2.32 -0.08 0.00 -0.11 0.00 0.00 43.42 41.50 2a24 n LEU 96 CO 0.46 -0.32 -0.14 -1.10 -1.51 0.00 0.00 177.39 174.78 2a24 s GLN 97 N -4.44 1.12 -0.01 3.23 -1.52 -1.23 -4.94 119.66 111.88 2a24 s GLN 97 Ca 0.00 -1.35 -0.30 0.00 -1.95 0.00 0.00 55.36 51.76 2a24 s GLN 97 Cb 0.00 0.32 -0.09 0.00 -0.22 0.00 0.00 33.01 33.02 2a24 s GLN 97 CO 0.00 -0.38 2.01 -0.35 -0.25 0.00 0.00 175.29 176.33 2a24 n PRO 98 N -0.20 2.71 -0.03 2.91 -0.04 -1.26 -0.94 135.00 138.15 2a24 n PRO 98 Ca -0.05 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.18 2a24 n PRO 98 Cb 0.64 -3.04 -0.13 0.00 -0.04 0.00 0.00 33.50 30.93 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 11.27 0.14 -3.43 0.54 5.75 -1.05 -3.46 115.11 124.86 2a24 h GLN 99 Ca -0.48 -0.24 -0.14 0.00 -0.15 0.00 0.00 58.65 57.64 2a24 h GLN 99 Cb 1.24 0.09 -0.21 0.00 1.07 0.00 0.00 27.48 29.67 2a24 h GLN 99 CO 0.94 1.11 -0.46 0.00 -2.65 0.00 0.00 178.83 177.77 2a24 s ILE 101 N -1.27 5.04 -0.24 0.00 -1.09 -0.51 -1.89 121.20 121.24 2a24 s ILE 101 Ca -0.14 -2.05 -0.29 0.00 -2.23 0.00 0.00 60.65 55.95 2a24 s ILE 101 Cb -0.07 -4.20 -0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2a24 s ILE 101 CO 0.02 -0.91 1.28 -0.32 -1.23 0.00 0.00 174.94 173.77 2a24 s MET 102 N 0.87 4.06 -0.23 2.79 1.75 -0.39 -2.04 119.30 126.11 2a24 s MET 102 Ca 0.10 1.43 -0.03 0.00 -1.25 0.00 0.00 55.69 55.94 2a24 s MET 102 Cb -0.21 -3.82 0.00 0.00 2.84 0.00 0.00 34.83 33.64 2a24 s MET 102 CO -0.03 -0.93 -0.06 0.00 -0.65 0.00 0.00 175.02 173.35 2a24 s VAL 104 N 1.42 4.44 -0.23 0.00 1.01 0.99 -2.22 120.40 125.81 2a24 s VAL 104 Ca 0.04 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 2a24 s VAL 104 Cb -0.15 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 2a24 s VAL 104 CO -0.05 -0.83 0.17 0.21 0.00 0.00 0.00 175.10 174.60 2a24 s ASN 105 N 2.25 6.16 0.10 3.32 3.84 -1.06 0.03 114.94 129.58 2a24 s ASN 105 Ca 0.39 0.16 0.10 0.00 0.21 0.00 0.00 52.86 53.72 2a24 s ASN 105 Cb -0.10 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 2a24 s ASN 105 CO 0.26 0.08 -0.26 -0.31 -2.79 0.00 0.00 177.10 174.08 2a24 s TYR 106 N 0.92 2.33 -0.53 0.43 2.02 0.17 -2.84 117.35 119.85 2a24 s TYR 106 Ca 0.08 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 2a24 s TYR 106 Cb -0.13 -1.30 0.16 0.00 -0.40 0.00 0.00 41.96 40.29 2a24 s TYR 106 CO 0.03 0.28 0.37 0.08 -1.57 0.00 0.00 175.55 174.74 2a24 s VAL 107 N -0.98 1.64 -0.01 0.71 1.01 -1.25 0.03 120.40 121.54 2a24 s VAL 107 Ca 0.14 -3.27 -0.22 0.00 0.00 0.00 0.00 61.98 58.63 2a24 s VAL 107 Cb -0.10 -2.11 -0.22 0.00 0.00 0.00 0.00 36.38 33.95 2a24 s VAL 107 CO 0.05 -1.05 1.11 0.25 0.00 0.00 0.00 175.10 175.46 2a24 h LEU 108 N 5.84 0.37 0.00 3.92 6.46 -1.91 -3.47 115.31 126.53 2a24 h LEU 108 Ca 0.14 -0.72 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 2a24 h LEU 108 Cb 0.85 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2a24 h LEU 108 CO 0.54 1.04 0.00 -1.20 -0.62 0.00 0.00 178.44 178.20 2a24 n SER 109 N -4.40 0.00 0.00 1.25 7.64 -1.24 -5.13 113.62 111.74 2a24 n SER 109 Ca -0.09 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.02 2a24 n SER 109 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2a24 n SER 109 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a24 n GLU 110 N -0.77 1.83 -2.41 1.43 -0.58 -1.26 -4.68 120.64 114.20 2a24 n GLU 110 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 2a24 n GLU 110 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2a24 n GLU 110 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2a24 s ILE 111 N 0.52 3.37 -2.30 -3.67 -4.36 -1.26 -0.81 121.20 112.69 2a24 s ILE 111 Ca 0.00 1.29 0.30 0.00 -0.26 0.00 0.00 60.65 61.97 2a24 s ILE 111 Cb 0.00 -3.78 0.69 0.00 1.25 0.00 0.00 42.46 40.62 2a24 s ILE 111 CO 0.00 0.24 1.94 1.21 0.24 0.00 0.00 174.94 178.56