#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 2.18 -0.02 3.15 2.01 -1.26 -4.14 115.64 117.55 2a24 s THR 7 Ca 0.00 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2a24 s THR 7 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2a24 s THR 7 CO 0.00 -0.02 -0.09 0.12 -0.69 0.00 0.00 174.62 173.94 2a24 s PHE 8 N -1.41 0.92 -0.15 4.92 5.36 0.21 -4.98 117.98 122.85 2a24 s PHE 8 Ca 0.78 -0.22 -0.09 0.00 -0.96 0.00 0.00 56.93 56.44 2a24 s PHE 8 Cb -0.37 -0.65 -0.04 0.00 -0.34 0.00 0.00 43.02 41.62 2a24 s PHE 8 CO 0.41 -0.09 0.15 -1.17 -1.46 0.00 0.00 175.22 173.06 2a24 s LEU 9 N 0.14 4.31 -0.04 6.12 1.98 -1.26 0.33 118.68 130.25 2a24 s LEU 9 Ca -0.02 0.38 -0.02 0.00 -2.89 0.00 0.00 54.13 51.58 2a24 s LEU 9 Cb -0.08 -2.10 0.03 0.00 0.66 0.00 0.00 46.19 44.70 2a24 s LEU 9 CO 0.00 0.30 0.08 -0.55 -1.89 0.00 0.00 176.35 174.29 2a24 s SER 10 N -0.38 0.41 -0.23 3.68 0.15 -0.40 -1.29 113.70 115.65 2a24 s SER 10 Ca 0.12 0.14 -0.07 0.00 0.70 0.00 0.00 55.95 56.85 2a24 s SER 10 Cb -0.12 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2a24 s SER 10 CO 0.02 -0.18 0.05 -0.13 1.20 0.00 0.00 173.24 174.19 2a24 s ARG 11 N 1.55 3.68 -0.06 5.44 0.52 0.40 -0.33 118.95 130.16 2a24 s ARG 11 Ca -0.04 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2a24 s ARG 11 Cb -0.12 -3.24 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 2a24 s ARG 11 CO -0.04 -0.08 -0.20 -1.01 0.02 0.00 0.00 175.30 173.99 2a24 s HIS 12 N 1.31 2.00 0.14 -0.53 3.76 -0.69 -0.80 115.29 120.47 2a24 s HIS 12 Ca 0.05 -0.64 0.05 0.00 -0.15 0.00 0.00 55.06 54.37 2a24 s HIS 12 Cb -0.15 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2a24 s HIS 12 CO 0.03 -0.23 -0.12 -1.12 -0.85 0.00 0.00 174.74 172.45 2a24 s SER 13 N 0.10 1.90 1.16 1.40 0.01 -0.88 0.70 113.70 118.10 2a24 s SER 13 Ca -0.07 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2a24 s SER 13 Cb -0.14 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2a24 s SER 13 CO 0.04 -0.24 0.00 0.23 0.41 0.00 0.00 173.24 173.68 2a24 n MET 14 N 0.14 0.00 -0.04 12.44 2.81 -1.26 -1.62 117.12 129.59 2a24 n MET 14 Ca -0.13 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2a24 n MET 14 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.10 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 8.54 3.17 -1.95 7.83 5.75 -1.26 -4.73 116.55 133.90 2a24 n ASP 15 Ca 0.00 -2.04 -0.19 0.00 -0.01 0.00 0.00 54.79 52.55 2a24 n ASP 15 Cb 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 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 0.56 -1.44 -1.69 0.11 0.00 -0.64 -4.71 117.12 109.31 2a24 n MET 16 Ca 0.00 0.97 -0.29 0.00 -0.00 0.00 0.00 57.70 58.38 2a24 n MET 16 Cb 0.51 -5.44 0.10 0.00 0.00 0.00 0.00 33.22 28.39 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 -4.59 1.84 -0.54 2.12 -2.85 -0.81 -4.55 119.74 110.37 2a24 s LYS 17 Ca 0.00 0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 55.06 2a24 s LYS 17 Cb 0.00 -1.92 0.04 0.00 -2.06 0.00 0.00 37.83 33.89 2a24 s LYS 17 CO 0.00 -1.73 1.00 -0.06 0.10 0.00 0.00 175.35 174.66 2a24 s PHE 18 N -3.35 2.77 -0.08 1.78 0.40 -1.23 -2.06 117.98 116.21 2a24 s PHE 18 Ca 0.62 0.16 0.14 0.00 -0.60 0.00 0.00 56.93 57.25 2a24 s PHE 18 Cb -0.13 -4.17 -0.15 0.00 0.51 0.00 0.00 43.02 39.08 2a24 s PHE 18 CO 0.52 -1.37 0.90 1.15 0.70 0.00 0.00 175.22 177.12 2a24 h THR 19 N 6.07 0.77 -1.71 0.64 2.02 -1.26 -0.07 112.91 119.36 2a24 h THR 19 Ca -0.25 -2.39 0.08 0.00 0.77 0.00 0.00 66.41 64.62 2a24 h THR 19 Cb 1.07 2.28 -0.24 0.00 -1.74 0.00 0.00 68.15 69.52 2a24 h THR 19 CO 1.10 0.44 0.22 -0.47 0.37 0.00 0.00 175.52 177.18 2a24 s TYR 20 N -2.81 -0.80 -0.00 3.16 5.04 -1.18 -4.81 117.35 115.95 2a24 s TYR 20 Ca -0.02 1.58 0.08 0.00 -2.44 0.00 0.00 57.07 56.27 2a24 s TYR 20 Cb 0.08 0.48 -0.02 0.00 0.35 0.00 0.00 41.96 42.85 2a24 s TYR 20 CO 0.81 -0.40 -0.26 0.00 -1.34 0.00 0.00 175.55 174.37 2a24 s ASP 22 N -0.76 5.68 0.22 0.00 -1.08 -0.41 -4.77 116.67 115.55 2a24 s ASP 22 Ca 0.10 2.28 0.18 0.00 -0.52 0.00 0.00 52.55 54.60 2a24 s ASP 22 Cb -0.10 -2.59 0.88 0.00 -1.46 0.00 0.00 42.92 39.65 2a24 s ASP 22 CO -0.00 -1.25 1.57 -0.90 0.52 0.00 0.00 175.17 175.10 2a24 n ASP 23 N -1.17 0.46 0.00 -0.34 5.68 -1.26 -1.60 116.55 118.32 2a24 n ASP 23 Ca 0.11 0.66 0.11 0.00 -0.50 0.00 0.00 54.79 55.17 2a24 n ASP 23 Cb 0.50 -0.74 0.51 0.00 -1.14 0.00 0.00 41.12 40.24 2a24 n ASP 23 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a24 n ARG 24 N -2.06 0.08 0.23 0.11 1.74 -1.26 -3.09 116.66 112.41 2a24 n ARG 24 Ca 0.01 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.28 2a24 n ARG 24 Cb 0.12 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.74 0.00 0.55 2.10 -1.59 -1.50 117.51 117.80 2a24 h ILE 25 Ca 0.00 -0.90 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 2a24 h ILE 25 Cb 0.35 1.56 -0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2a24 h ILE 25 CO 0.00 0.21 -0.10 0.74 -1.08 0.00 0.00 178.15 177.92 2a24 h THR 26 N 0.00 0.26 0.13 2.19 2.02 -1.50 0.11 112.91 116.11 2a24 h THR 26 Ca -0.00 -0.82 -0.31 0.00 0.77 0.00 0.00 66.41 66.05 2a24 h THR 26 Cb 0.54 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2a24 h THR 26 CO 0.03 0.10 -1.52 -0.33 0.37 0.00 0.00 175.52 174.17 2a24 h GLU 27 N 0.00 0.28 0.00 6.66 5.08 -1.49 -3.20 114.58 121.91 2a24 h GLU 27 Ca -0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2a24 h GLU 27 Cb 0.65 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2a24 h GLU 27 CO 0.01 1.15 0.00 1.28 -1.00 0.00 0.00 179.01 180.46 2a24 n LEU 28 N -3.48 0.45 -0.00 1.33 4.77 -1.01 -4.70 117.00 114.35 2a24 n LEU 28 Ca -0.16 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.89 2a24 n LEU 28 Cb 1.05 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.64 2a24 n LEU 28 CO 0.51 -0.38 0.28 0.40 -1.33 0.00 0.00 177.39 176.88 2a24 h ILE 29 N 0.00 1.47 0.00 -0.08 2.04 -1.16 -3.46 117.51 116.31 2a24 h ILE 29 Ca 0.00 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.79 2a24 h ILE 29 Cb 0.00 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2a24 h ILE 29 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.35 2a24 n GLY 30 N 1.10 0.70 3.82 5.37 0.00 0.13 -0.30 105.19 116.00 2a24 n GLY 30 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.55 -0.01 1.61 2.02 -1.25 -4.79 117.35 116.49 2a24 s TYR 31 Ca 0.00 1.42 -0.27 0.00 -0.37 0.00 0.00 57.07 57.85 2a24 s TYR 31 Cb 0.00 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 2a24 s TYR 31 CO 0.00 0.22 0.83 -1.58 -1.57 0.00 0.00 175.55 173.45 2a24 s HIS 32 N -1.71 3.65 0.23 2.71 2.46 -1.26 -3.20 115.29 118.17 2a24 s HIS 32 Ca 0.49 1.49 -0.10 0.00 0.47 0.00 0.00 55.06 57.40 2a24 s HIS 32 Cb -0.15 -2.94 0.33 0.00 -0.13 0.00 0.00 32.58 29.70 2a24 s HIS 32 CO 0.20 0.09 1.63 -1.35 -2.47 0.00 0.00 174.74 172.84 2a24 h PRO 33 N 6.51 0.05 -0.01 2.88 0.11 -1.86 0.79 132.00 140.47 2a24 h PRO 33 Ca -0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2a24 h PRO 33 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2a24 h PRO 33 CO 0.74 0.03 -0.07 0.93 -0.21 0.00 0.00 178.00 179.43 2a24 h GLU 34 N 0.05 0.01 0.00 1.05 4.39 -1.93 -1.20 114.58 116.96 2a24 h GLU 34 Ca 0.36 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2a24 h GLU 34 Cb 0.58 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2a24 h GLU 34 CO -0.66 0.09 0.00 0.39 -1.16 0.00 0.00 179.01 177.67 2a24 n GLU 35 N -4.45 0.12 -0.00 2.33 -0.58 0.25 -2.72 120.64 115.59 2a24 n GLU 35 Ca -0.03 0.08 0.06 0.00 -0.42 0.00 0.00 57.16 56.86 2a24 n GLU 35 Cb 0.15 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.44 2a24 n GLU 35 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2a24 n LEU 36 N -1.43 0.48 -4.62 -4.62 4.77 -0.48 -4.82 117.00 106.27 2a24 n LEU 36 Ca 0.08 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 2a24 n LEU 36 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2a24 n LEU 36 CO 0.21 0.12 1.67 -0.76 -1.33 0.00 0.00 177.39 177.30 2a24 s LEU 37 N -2.92 3.84 0.00 2.23 1.43 -1.03 -1.55 118.68 120.68 2a24 s LEU 37 Ca 0.03 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2a24 s LEU 37 Cb 0.10 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2a24 s LEU 37 CO 0.54 -1.54 0.00 0.61 0.23 0.00 0.00 176.35 176.19 2a24 n GLY 38 N 5.17 0.86 3.89 -3.19 0.00 -0.04 -5.03 105.19 106.85 2a24 n GLY 38 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.20 3.71 -0.03 1.61 1.70 -0.60 -4.95 118.95 120.19 2a24 s ARG 39 Ca 0.00 0.12 -0.30 0.00 -0.47 0.00 0.00 55.73 55.08 2a24 s ARG 39 Cb 0.00 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.66 2a24 s ARG 39 CO 0.00 0.29 1.49 -1.12 -1.08 0.00 0.00 175.30 174.88 2a24 s SER 40 N -2.71 6.78 0.19 -2.89 0.01 -1.26 -3.53 113.70 110.29 2a24 s SER 40 Ca 0.45 2.13 0.10 0.00 1.31 0.00 0.00 55.95 59.94 2a24 s SER 40 Cb -0.11 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 2a24 s SER 40 CO 0.25 -0.81 1.39 0.00 0.41 0.00 0.00 173.24 174.49 2a24 h ALA 41 N 8.46 0.55 0.00 1.44 0.00 -1.85 -3.18 119.26 124.69 2a24 h ALA 41 Ca -0.37 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 2a24 h ALA 41 Cb 1.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2a24 h ALA 41 CO 0.93 1.01 -0.01 1.88 0.00 0.00 0.00 179.25 183.06 2a24 h TYR 42 N 0.00 0.00 -0.79 0.00 0.05 -1.87 0.35 116.97 114.71 2a24 h TYR 42 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2a24 h TYR 42 Cb 1.54 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.24 2a24 h TYR 42 CO 0.00 0.01 0.51 0.93 -1.05 0.00 0.00 178.16 178.56 2a24 h GLU 43 N 0.00 1.04 0.00 4.88 5.08 -1.96 -3.08 114.58 120.55 2a24 h GLU 43 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2a24 h GLU 43 Cb 0.08 -0.23 -0.13 0.00 0.50 0.00 0.00 28.75 28.97 2a24 h GLU 43 CO 0.00 0.70 -0.63 1.97 -1.00 0.00 0.00 179.01 180.06 2a24 n PHE 44 N -4.41 0.00 -1.88 4.33 -1.74 -0.79 -4.95 117.46 108.02 2a24 n PHE 44 Ca 0.09 -0.95 -0.42 0.00 -0.56 0.00 0.00 57.45 55.61 2a24 n PHE 44 Cb 0.04 -0.18 -0.00 0.00 1.52 0.00 0.00 39.48 40.85 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 -0.49 3.67 -0.50 2.97 9.36 0.05 -4.44 117.16 127.77 2a24 n TYR 45 Ca 0.12 -2.86 0.07 0.00 3.32 0.00 0.00 57.90 58.55 2a24 n TYR 45 Cb 0.84 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 37.00 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 6.78 -1.29 -0.01 2.98 8.25 -1.26 -4.07 115.22 126.60 2a24 n HIS 46 Ca 0.51 0.66 -0.03 0.00 -0.26 0.00 0.00 57.72 58.60 2a24 n HIS 46 Cb 0.41 -1.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.34 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 -2.17 1.87 0.77 -1.41 0.00 -1.26 -4.66 120.51 113.65 2a24 n ALA 47 Ca -0.01 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.20 2a24 n ALA 47 Cb 0.23 0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.82 2a24 n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2a24 n LEU 48 N -3.58 2.09 -1.45 0.00 -0.00 -1.26 -4.25 117.00 108.55 2a24 n LEU 48 Ca -0.05 -0.87 -0.03 0.00 -0.00 0.00 0.00 56.01 55.06 2a24 n LEU 48 Cb 0.18 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.85 2a24 n LEU 48 CO 0.07 0.38 0.87 0.47 -0.00 0.00 0.00 177.39 179.18 2a24 n ASP 49 N 0.43 3.74 -0.04 1.45 9.92 -1.26 -4.59 116.55 126.19 2a24 n ASP 49 Ca 0.09 -3.38 -0.12 0.00 -0.53 0.00 0.00 54.79 50.85 2a24 n ASP 49 Cb 0.41 -0.67 -0.07 0.00 -0.64 0.00 0.00 41.12 40.15 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 1.75 0.22 -0.23 -2.24 0.02 -1.74 -2.93 113.55 108.40 2a24 h SER 50 Ca 0.21 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2a24 h SER 50 Cb 1.93 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 2a24 h SER 50 CO 0.52 0.52 0.12 -0.33 -1.14 0.00 0.00 176.83 176.53 2a24 h GLU 51 N -0.09 0.35 -0.16 3.45 4.39 -1.90 -1.47 114.58 119.16 2a24 h GLU 51 Ca 0.03 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2a24 h GLU 51 Cb 0.42 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2a24 h GLU 51 CO 0.01 0.28 -0.09 -0.97 -1.16 0.00 0.00 179.01 177.08 2a24 h ASN 52 N 0.36 -0.28 0.58 1.42 -0.73 -1.83 0.48 115.58 115.57 2a24 h ASN 52 Ca 0.09 0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.18 2a24 h ASN 52 Cb 0.04 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 2a24 h ASN 52 CO -0.01 -0.12 -0.68 0.24 -0.37 0.00 0.00 177.43 176.50 2a24 h MET 53 N -0.08 0.09 0.17 6.67 2.86 -1.35 -2.08 114.93 121.20 2a24 h MET 53 Ca 0.09 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2a24 h MET 53 Cb 0.21 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2a24 h MET 53 CO -0.21 0.73 -0.08 1.15 1.06 0.00 0.00 176.91 179.56 2a24 h THR 54 N 0.06 0.88 -0.59 2.22 2.02 -0.66 0.97 112.91 117.81 2a24 h THR 54 Ca -0.01 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2a24 h THR 54 Cb 1.20 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2a24 h THR 54 CO 0.09 0.05 0.00 0.11 0.37 0.00 0.00 175.52 176.15 2a24 h LYS 55 N -0.33 1.04 -0.79 6.66 6.56 -0.93 -1.71 116.57 127.07 2a24 h LYS 55 Ca -0.02 -0.33 -0.01 0.00 -1.06 0.00 0.00 60.65 59.23 2a24 h LYS 55 Cb 0.25 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.78 2a24 h LYS 55 CO 0.04 1.02 0.47 0.77 -2.06 0.00 0.00 179.45 179.69 2a24 h SER 56 N 0.94 0.96 -0.68 0.86 0.02 -1.23 0.10 113.55 114.52 2a24 h SER 56 Ca 0.17 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2a24 h SER 56 Cb 0.55 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2a24 h SER 56 CO 0.03 0.75 0.14 -0.74 -1.14 0.00 0.00 176.83 175.87 2a24 h HIS 57 N 1.09 1.18 0.27 3.45 -0.00 -0.56 0.56 115.15 121.15 2a24 h HIS 57 Ca 0.28 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 2a24 h HIS 57 Cb -0.03 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.06 2a24 h HIS 57 CO -0.00 0.97 -0.13 0.37 -0.00 0.00 0.00 177.93 179.13 2a24 h GLN 58 N 1.05 -0.35 -0.65 5.26 4.15 -0.65 -2.39 115.11 121.53 2a24 h GLN 58 Ca 0.21 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.70 2a24 h GLN 58 Cb 0.40 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 2a24 h GLN 58 CO 0.01 -0.11 0.39 -0.97 -1.93 0.00 0.00 178.83 176.21 2a24 h ASN 59 N -0.55 0.62 -0.90 -0.69 -1.24 -0.73 -2.17 115.58 109.92 2a24 h ASN 59 Ca -0.04 0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.09 2a24 h ASN 59 Cb 0.40 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.27 2a24 h ASN 59 CO 0.06 0.42 0.58 0.25 -1.29 0.00 0.00 177.43 177.45 2a24 h LEU 60 N 0.75 0.80 -1.77 0.34 5.85 -0.79 -0.91 115.31 119.58 2a24 h LEU 60 Ca 0.27 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 2a24 h LEU 60 Cb 0.08 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2a24 h LEU 60 CO -0.13 0.46 -0.14 0.00 -0.34 0.00 0.00 178.44 178.29 2a24 n THR 62 N -3.56 0.55 0.00 0.00 -2.24 -0.40 -4.56 114.28 104.07 2a24 n THR 62 Ca -0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2a24 n THR 62 Cb 0.27 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.23 0.00 0.00 -0.78 4.76 -0.85 -5.05 118.16 117.47 2a24 n LYS 63 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2a24 n LYS 63 Cb 0.54 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 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 3.06 3.15 2.83 0.72 0.00 0.72 -4.98 105.19 110.69 2a24 n GLY 64 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.01 1.61 0.74 -1.25 0.45 119.66 121.22 2a24 s GLN 65 Ca 0.00 0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.70 2a24 s GLN 65 Cb 0.00 -0.25 0.00 0.00 1.10 0.00 0.00 33.01 33.86 2a24 s GLN 65 CO 0.00 -0.21 0.10 0.54 -0.55 0.00 0.00 175.29 175.18 2a24 s VAL 66 N 1.42 0.06 -0.48 1.34 0.11 -0.32 -4.99 120.40 117.54 2a24 s VAL 66 Ca -0.06 -0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 58.37 2a24 s VAL 66 Cb -0.12 -0.32 0.10 0.00 -1.53 0.00 0.00 36.38 34.51 2a24 s VAL 66 CO -0.05 -0.27 0.39 -0.69 -3.33 0.00 0.00 175.10 171.16 2a24 s VAL 67 N -0.90 4.90 -0.03 2.04 1.01 -1.26 -0.83 120.40 125.32 2a24 s VAL 67 Ca -0.10 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 2a24 s VAL 67 Cb -0.06 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2a24 s VAL 67 CO 0.01 -0.67 1.01 -0.44 0.00 0.00 0.00 175.10 175.00 2a24 s SER 68 N 2.80 7.31 1.04 3.32 0.01 0.13 -4.93 113.70 123.39 2a24 s SER 68 Ca 0.04 1.65 -0.12 0.00 1.31 0.00 0.00 55.95 58.82 2a24 s SER 68 Cb -0.26 -2.57 0.22 0.00 0.21 0.00 0.00 66.02 63.62 2a24 s SER 68 CO 0.04 -0.34 1.07 -0.83 0.41 0.00 0.00 173.24 173.59 2a24 s GLY 69 N 1.05 1.58 -0.18 3.44 0.00 -1.26 -1.19 107.32 110.76 2a24 s GLY 69 Ca 0.51 -0.14 -0.34 0.00 0.00 0.00 0.00 44.72 44.75 2a24 s GLY 69 CO 0.25 0.48 1.97 -1.06 0.00 0.00 0.00 173.10 174.74 2a24 n GLN 70 N -4.44 1.82 -4.68 2.90 6.02 -1.25 -4.55 117.38 113.19 2a24 n GLN 70 Ca 0.05 0.63 -0.30 0.00 -0.01 0.00 0.00 57.00 57.36 2a24 n GLN 70 Cb 0.55 -2.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.11 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 5.15 2.16 -0.77 1.08 -0.85 -0.72 -4.78 117.35 118.62 2a24 s TYR 71 Ca 0.98 -0.84 -0.21 0.00 -0.52 0.00 0.00 57.07 56.48 2a24 s TYR 71 Cb -0.73 -1.66 0.09 0.00 0.38 0.00 0.00 41.96 40.04 2a24 s TYR 71 CO 0.51 0.31 1.04 1.03 -1.52 0.00 0.00 175.55 176.91 2a24 s ARG 72 N -3.80 3.30 -0.15 -3.49 0.52 -1.26 -2.81 118.95 111.25 2a24 s ARG 72 Ca 0.20 -1.17 -0.27 0.00 -0.52 0.00 0.00 55.73 53.97 2a24 s ARG 72 Cb 0.06 -4.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.00 2a24 s ARG 72 CO 0.10 -1.81 0.89 1.41 0.02 0.00 0.00 175.30 175.91 2a24 s MET 73 N 3.60 4.33 -0.01 3.54 1.75 -0.08 -4.55 119.30 127.89 2a24 s MET 73 Ca 0.26 1.14 -0.30 0.00 -1.25 0.00 0.00 55.69 55.54 2a24 s MET 73 Cb -0.12 -3.57 -0.06 0.00 2.84 0.00 0.00 34.83 33.92 2a24 s MET 73 CO 0.02 -0.34 1.58 -1.17 -0.65 0.00 0.00 175.02 174.47 2a24 s LEU 74 N 2.16 4.33 0.54 4.11 2.96 -1.25 -0.24 118.68 131.28 2a24 s LEU 74 Ca 0.41 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.63 2a24 s LEU 74 Cb -0.17 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.01 2a24 s LEU 74 CO 0.13 -0.86 0.74 0.00 -1.32 0.00 0.00 176.35 175.05 2a24 s ALA 75 N 3.21 4.11 -0.55 5.97 0.00 0.12 -4.89 121.76 129.73 2a24 s ALA 75 Ca 0.71 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2a24 s ALA 75 Cb -0.34 -1.91 -0.18 0.00 0.00 0.00 0.00 23.12 20.69 2a24 s ALA 75 CO 0.29 -0.71 3.07 1.17 0.00 0.00 0.00 175.76 179.59 2a24 n LYS 76 N -2.26 2.35 0.00 0.00 4.81 0.59 -2.63 118.16 121.02 2a24 n LYS 76 Ca 0.09 -1.32 0.00 0.00 -0.87 0.00 0.00 58.31 56.22 2a24 n LYS 76 Cb 0.60 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 3.01 0.00 -1.04 5.64 1.44 -1.26 -4.95 115.22 118.05 2a24 n HIS 77 Ca 0.50 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 56.20 2a24 n HIS 77 Cb 0.58 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.68 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 0.45 3.86 -1.39 0.00 -1.08 -5.00 105.19 102.03 2a24 n GLY 78 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.19 1.83 -0.39 -0.02 0.00 -1.25 -4.82 107.32 100.48 2a24 s GLY 79 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.70 2a24 s GLY 79 CO 0.00 0.21 0.14 -0.19 0.00 0.00 0.00 173.10 173.25 2a24 s TYR 80 N -2.83 2.89 -0.14 1.90 2.02 0.12 0.16 117.35 121.46 2a24 s TYR 80 Ca 0.55 -2.66 -0.29 0.00 -0.37 0.00 0.00 57.07 54.30 2a24 s TYR 80 Cb -0.10 -2.46 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 2a24 s TYR 80 CO 0.42 -0.86 1.21 0.08 -1.57 0.00 0.00 175.55 174.82 2a24 s VAL 81 N 0.72 4.35 -0.57 0.71 1.01 0.67 0.50 120.40 127.79 2a24 s VAL 81 Ca 0.13 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.49 2a24 s VAL 81 Cb -0.21 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2a24 s VAL 81 CO -0.09 -0.10 1.06 0.26 0.00 0.00 0.00 175.10 176.23 2a24 s TRP 82 N 3.08 2.69 0.02 5.22 0.52 -0.69 -0.90 118.94 128.88 2a24 s TRP 82 Ca 0.53 0.16 -0.11 0.00 0.02 0.00 0.00 56.10 56.70 2a24 s TRP 82 Cb -0.21 -4.29 0.01 0.00 -1.15 0.00 0.00 33.47 27.83 2a24 s TRP 82 CO 0.15 -1.49 0.23 -0.48 0.02 0.00 0.00 176.95 175.39 2a24 s LEU 83 N 4.46 1.18 0.54 2.99 0.05 -1.12 -2.21 118.68 124.56 2a24 s LEU 83 Ca 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 54.13 54.35 2a24 s LEU 83 Cb -0.10 1.06 0.02 0.00 -2.05 0.00 0.00 46.19 45.12 2a24 s LEU 83 CO 0.22 -0.50 0.78 -1.61 -0.55 0.00 0.00 176.35 174.69 2a24 s GLU 84 N -2.00 2.72 -0.22 1.48 2.02 0.25 -1.76 118.70 121.19 2a24 s GLU 84 Ca -0.09 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 2a24 s GLU 84 Cb -0.03 -2.45 0.09 0.00 0.10 0.00 0.00 34.13 31.84 2a24 s GLU 84 CO -0.01 -0.63 0.48 0.99 0.02 0.00 0.00 175.26 176.12 2a24 s THR 85 N -2.78 -0.53 -0.58 3.63 2.01 -0.33 0.07 115.64 117.14 2a24 s THR 85 Ca 0.54 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 2a24 s THR 85 Cb -0.10 -0.74 0.14 0.00 0.01 0.00 0.00 72.50 71.80 2a24 s THR 85 CO 0.40 0.05 0.54 -1.58 -0.69 0.00 0.00 174.62 173.33 2a24 s GLN 86 N 2.33 3.07 -0.06 4.92 0.74 0.94 0.18 119.66 131.78 2a24 s GLN 86 Ca -0.05 -1.79 -0.26 0.00 0.05 0.00 0.00 55.36 53.31 2a24 s GLN 86 Cb -0.11 -4.32 -0.03 0.00 1.10 0.00 0.00 33.01 29.66 2a24 s GLN 86 CO -0.14 -1.33 0.83 0.20 -0.55 0.00 0.00 175.29 174.29 2a24 s GLY 87 N 3.43 2.62 -0.28 2.59 0.00 -0.01 -0.70 107.32 114.96 2a24 s GLY 87 Ca 0.05 0.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 2a24 s GLY 87 CO 0.02 1.47 0.06 -1.59 0.00 0.00 0.00 173.10 173.05 2a24 s THR 88 N 1.16 1.07 -0.33 0.90 2.01 0.64 -1.17 115.64 119.92 2a24 s THR 88 Ca 0.43 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2a24 s THR 88 Cb -0.19 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.64 2a24 s THR 88 CO 0.20 -0.51 1.22 -0.69 -0.69 0.00 0.00 174.62 174.16 2a24 s VAL 89 N 1.55 4.24 0.04 3.82 1.01 0.17 0.58 120.40 131.81 2a24 s VAL 89 Ca 0.06 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 2a24 s VAL 89 Cb -0.18 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2a24 s VAL 89 CO -0.18 -0.54 0.28 0.27 0.00 0.00 0.00 175.10 174.93 2a24 s ILE 90 N 4.21 5.29 -0.02 2.22 -4.36 -0.94 -4.87 121.20 122.73 2a24 s ILE 90 Ca 0.52 0.04 -0.18 0.00 -0.26 0.00 0.00 60.65 60.77 2a24 s ILE 90 Cb -0.14 -3.59 -0.05 0.00 1.25 0.00 0.00 42.46 39.93 2a24 s ILE 90 CO 0.22 0.26 0.52 -0.31 0.24 0.00 0.00 174.94 175.87 2a24 s TYR 91 N -1.41 3.67 -0.33 1.37 2.02 -1.26 -1.40 117.35 120.01 2a24 s TYR 91 Ca 0.32 1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 57.81 2a24 s TYR 91 Cb -0.13 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 38.94 2a24 s TYR 91 CO 0.20 0.41 1.11 1.21 -1.57 0.00 0.00 175.55 176.91 2a24 s ASN 92 N -0.32 6.88 0.00 2.29 2.47 0.17 -4.85 114.94 121.56 2a24 s ASN 92 Ca 0.28 1.03 0.04 0.00 0.42 0.00 0.00 52.86 54.63 2a24 s ASN 92 Cb -0.17 -2.54 0.22 0.00 -1.45 0.00 0.00 41.25 37.30 2a24 s ASN 92 CO 0.15 -0.93 0.95 -0.81 -3.72 0.00 0.00 177.10 172.74 2a24 n PRO 93 N 7.00 0.07 0.15 0.43 -0.04 -1.26 0.67 135.00 142.01 2a24 n PRO 93 Ca 0.12 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 2a24 n PRO 93 Cb 0.47 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2a24 n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a24 h ARG 94 N 0.00 0.00 0.00 0.54 3.08 -1.95 -3.39 114.38 112.65 2a24 h ARG 94 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a24 h ARG 94 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2a24 h ARG 94 CO 0.00 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.19 2a24 n ASN 95 N -2.82 0.00 -2.93 7.04 5.15 -0.65 -5.02 115.26 116.03 2a24 n ASN 95 Ca 0.02 -1.00 -0.22 0.00 -0.60 0.00 0.00 54.58 52.78 2a24 n ASN 95 Cb 0.54 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.81 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 0.00 -2.32 -4.45 1.20 4.77 0.21 -4.99 117.00 111.42 2a24 n LEU 96 Ca 0.00 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.47 2a24 n LEU 96 Cb 0.29 -2.81 -0.12 0.00 -2.33 0.00 0.00 43.42 38.45 2a24 n LEU 96 CO 0.00 0.13 -0.51 0.00 -1.33 0.00 0.00 177.39 175.67 2a24 s GLN 97 N -5.60 1.62 -0.09 3.23 -2.07 -1.21 -4.84 119.66 110.71 2a24 s GLN 97 Ca 0.25 -1.38 -0.29 0.00 -1.82 0.00 0.00 55.36 52.12 2a24 s GLN 97 Cb -0.12 -1.96 -0.06 0.00 -1.09 0.00 0.00 33.01 29.78 2a24 s GLN 97 CO 0.31 0.43 1.94 -2.14 -1.32 0.00 0.00 175.29 174.51 2a24 s PRO 98 N -2.45 3.81 0.00 9.60 0.02 -1.26 0.41 135.00 145.13 2a24 s PRO 98 Ca 0.19 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2a24 s PRO 98 Cb -0.09 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.25 2a24 s PRO 98 CO 0.10 -1.32 0.00 0.94 -0.33 0.00 0.00 177.00 176.39 2a24 n GLN 99 N 7.85 0.00 -4.67 5.54 -0.06 -0.50 -4.86 117.38 120.69 2a24 n GLN 99 Ca 0.22 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.90 2a24 n GLN 99 Cb 0.43 -0.02 -0.12 0.00 -4.06 0.00 0.00 30.24 26.47 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 -0.86 5.03 -0.84 0.00 1.01 0.22 -2.22 121.20 123.55 2a24 s ILE 101 Ca 0.14 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 2a24 s ILE 101 Cb -0.11 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.37 2a24 s ILE 101 CO 0.04 -0.33 1.53 -0.04 0.00 0.00 0.00 174.94 176.14 2a24 s MET 102 N 2.32 3.14 -0.53 2.79 -1.94 0.19 -1.70 119.30 123.57 2a24 s MET 102 Ca 0.16 -0.40 -0.18 0.00 -1.71 0.00 0.00 55.69 53.56 2a24 s MET 102 Cb -0.16 -4.74 0.09 0.00 2.01 0.00 0.00 34.83 32.04 2a24 s MET 102 CO 0.14 -2.45 0.58 0.00 -0.01 0.00 0.00 175.02 173.28 2a24 s VAL 104 N 2.22 4.43 0.03 0.00 1.01 0.13 -1.27 120.40 126.95 2a24 s VAL 104 Ca 0.09 0.47 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 2a24 s VAL 104 Cb -0.24 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2a24 s VAL 104 CO 0.07 -0.99 0.73 0.21 0.00 0.00 0.00 175.10 175.12 2a24 s ASN 105 N 2.59 7.16 -0.40 3.32 3.84 0.15 -0.04 114.94 131.57 2a24 s ASN 105 Ca 0.33 1.39 0.04 0.00 0.21 0.00 0.00 52.86 54.82 2a24 s ASN 105 Cb -0.12 -2.45 0.11 0.00 -0.55 0.00 0.00 41.25 38.25 2a24 s ASN 105 CO 0.22 0.03 0.13 -0.31 -2.79 0.00 0.00 177.10 174.37 2a24 s TYR 106 N -0.05 3.33 -0.14 0.43 2.02 0.11 -0.62 117.35 122.43 2a24 s TYR 106 Ca 0.37 -2.93 -0.29 0.00 -0.37 0.00 0.00 57.07 53.85 2a24 s TYR 106 Cb -0.20 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 2a24 s TYR 106 CO 0.22 -0.87 1.46 0.08 -1.57 0.00 0.00 175.55 174.87 2a24 s VAL 107 N 0.56 3.93 -0.10 0.71 1.01 -1.26 -0.58 120.40 124.67 2a24 s VAL 107 Ca 0.13 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.27 2a24 s VAL 107 Cb -0.21 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2a24 s VAL 107 CO -0.06 -0.15 0.14 0.18 0.00 0.00 0.00 175.10 175.20 2a24 n LEU 108 N 7.12 0.10 0.00 3.92 4.77 -1.22 -4.23 117.00 127.47 2a24 n LEU 108 Ca 0.16 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2a24 n LEU 108 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2a24 n LEU 108 CO 0.60 0.02 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.42 2a24 n SER 109 N -1.39 0.99 -1.30 -1.43 7.64 -0.94 -5.07 113.62 112.13 2a24 n SER 109 Ca -0.00 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2a24 n SER 109 Cb 0.09 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2a24 n SER 109 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2a24 n GLU 110 N -0.34 1.96 -3.78 1.43 0.00 -1.26 -4.59 120.64 114.06 2a24 n GLU 110 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.78 2a24 n GLU 110 Cb 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.56 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 1.06 4.90 -2.00 3.84 1.01 -1.26 -1.70 121.20 127.04 2a24 s ILE 111 Ca 0.00 0.02 0.32 0.00 0.00 0.00 0.00 60.65 60.99 2a24 s ILE 111 Cb 0.00 -3.27 0.91 0.00 0.01 0.00 0.00 42.46 40.10 2a24 s ILE 111 CO 0.00 0.36 2.23 1.21 0.00 0.00 0.00 174.94 178.74