#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fki s VAL 2 N 0.00 1.67 -0.15 1.61 0.11 -1.26 -1.27 120.40 121.11 1fki s VAL 2 Ca 0.00 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 1fki s VAL 2 Cb 0.00 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1fki s VAL 2 CO 0.00 0.47 0.04 -1.10 -3.33 0.00 0.00 175.10 171.18 1fki s GLN 3 N 0.15 3.69 -0.22 1.54 -0.21 -0.16 -4.93 119.66 119.51 1fki s GLN 3 Ca -0.09 -0.37 -0.06 0.00 0.02 0.00 0.00 55.36 54.85 1fki s GLN 3 Cb -0.14 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 1fki s GLN 3 CO 0.04 0.39 0.04 0.08 -2.12 0.00 0.00 175.29 173.73 1fki s VAL 4 N 0.02 4.23 -0.24 1.09 1.01 -1.26 -1.18 120.40 124.06 1fki s VAL 4 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1fki s VAL 4 Cb -0.12 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1fki s VAL 4 CO 0.01 0.38 -0.11 -0.70 0.00 0.00 0.00 175.10 174.69 1fki s GLU 5 N 1.27 2.61 0.04 2.72 2.12 0.00 -4.95 118.70 122.51 1fki s GLU 5 Ca 0.04 -1.11 -0.30 0.00 0.36 0.00 0.00 54.97 53.96 1fki s GLU 5 Cb -0.15 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 1fki s GLU 5 CO 0.03 -0.44 1.18 0.99 -0.54 0.00 0.00 175.26 176.48 1fki s THR 6 N 1.23 4.13 -0.17 -1.70 2.01 -1.26 -0.32 115.64 119.55 1fki s THR 6 Ca -0.03 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.35 1fki s THR 6 Cb -0.17 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1fki s THR 6 CO -0.06 0.10 -0.06 -0.38 -0.69 0.00 0.00 174.62 173.53 1fki n ILE 7 N 4.04 1.47 -4.03 1.82 5.41 0.14 -4.94 119.36 123.28 1fki n ILE 7 Ca 0.09 0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.79 1fki n ILE 7 Cb 0.47 -2.24 -0.14 0.00 -0.71 0.00 0.00 39.64 37.01 1fki n ILE 7 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1fki s SER 8 N -6.23 0.36 0.53 4.38 1.04 -0.75 -4.97 113.70 108.07 1fki s SER 8 Ca -0.22 -0.05 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 1fki s SER 8 Cb 0.04 -0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 1fki s SER 8 CO 0.38 0.02 1.02 -2.16 0.98 0.00 0.00 173.24 173.47 1fki s PRO 9 N 0.05 3.72 0.00 4.02 0.04 -1.26 -1.06 135.00 140.51 1fki s PRO 9 Ca -0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1fki s PRO 9 Cb -0.03 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1fki s PRO 9 CO -0.00 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1fki n GLY 10 N -1.04 1.80 0.17 0.56 0.00 -1.26 -4.14 105.19 101.27 1fki n GLY 10 Ca 0.08 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1fki n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1fki h ASP 11 N 0.00 0.00 -0.71 1.61 2.03 -1.72 -3.46 116.42 114.17 1fki h ASP 11 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 1fki h ASP 11 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1fki h ASP 11 CO 0.00 0.00 -0.20 0.61 -1.03 0.00 0.00 179.24 178.62 1fki n GLY 12 N 0.27 0.87 0.00 7.15 0.00 -1.26 -4.83 105.19 107.39 1fki n GLY 12 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1fki n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fki n ARG 13 N -2.53 3.54 -3.61 1.61 1.74 -1.26 -5.01 116.66 111.13 1fki n ARG 13 Ca -0.11 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 1fki n ARG 13 Cb 0.39 -0.31 -0.09 0.00 -1.02 0.00 0.00 32.46 31.42 1fki n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fki s THR 14 N -0.06 3.96 0.08 0.55 2.01 -1.26 -5.07 115.64 115.84 1fki s THR 14 Ca 0.00 -1.87 0.05 0.00 0.31 0.00 0.00 61.69 60.18 1fki s THR 14 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1fki s THR 14 CO 0.00 -0.76 -0.01 -0.36 -0.69 0.00 0.00 174.62 172.80 1fki s PHE 15 N 1.29 2.97 0.52 4.92 0.40 -1.26 -1.88 117.98 124.94 1fki s PHE 15 Ca 0.06 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1fki s PHE 15 Cb -0.25 -1.54 -0.06 0.00 0.51 0.00 0.00 43.02 41.68 1fki s PHE 15 CO -0.02 0.47 1.23 -1.25 0.70 0.00 0.00 175.22 176.35 1fki s PRO 16 N -2.19 3.36 0.21 0.24 0.04 -1.26 -5.03 135.00 130.38 1fki s PRO 16 Ca 0.24 1.92 0.11 0.00 0.04 0.00 0.00 61.00 63.31 1fki s PRO 16 Cb -0.12 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1fki s PRO 16 CO 0.17 -0.91 -0.16 0.15 0.04 0.00 0.00 177.00 176.28 1fki s LYS 17 N -2.94 1.80 -0.02 4.56 1.02 -1.26 -4.91 119.74 117.98 1fki s LYS 17 Ca 0.70 -1.48 -0.37 0.00 0.02 0.00 0.00 55.97 54.84 1fki s LYS 17 Cb -0.32 -1.96 -0.16 0.00 -0.52 0.00 0.00 37.83 34.86 1fki s LYS 17 CO 0.38 0.40 1.48 -2.13 -0.92 0.00 0.00 175.35 174.56 1fki n ARG 18 N -0.07 1.24 0.00 1.68 0.63 -1.26 -1.06 116.66 117.81 1fki n ARG 18 Ca -0.10 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1fki n ARG 18 Cb 0.57 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1fki n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fki n GLY 19 N 3.09 1.56 3.85 5.14 0.00 0.14 -5.00 105.19 113.98 1fki n GLY 19 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1fki n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fki s GLN 20 N -0.60 3.97 -0.28 1.61 -0.21 -0.22 -4.79 119.66 119.14 1fki s GLN 20 Ca 0.00 0.78 -0.19 0.00 0.02 0.00 0.00 55.36 55.97 1fki s GLN 20 Cb 0.00 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 1fki s GLN 20 CO 0.00 -0.05 0.56 0.99 -2.12 0.00 0.00 175.29 174.67 1fki s THR 21 N -2.31 5.02 -0.08 -0.19 2.01 -0.51 -1.46 115.64 118.13 1fki s THR 21 Ca 0.56 0.87 -0.22 0.00 0.31 0.00 0.00 61.69 63.22 1fki s THR 21 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1fki s THR 21 CO 0.24 0.00 0.62 0.00 -0.69 0.00 0.00 174.62 174.79 1fki s VAL 23 N 0.70 4.36 0.11 0.00 1.01 -0.31 -2.03 120.40 124.23 1fki s VAL 23 Ca 0.33 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1fki s VAL 23 Cb -0.17 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1fki s VAL 23 CO 0.15 0.29 -0.09 0.68 0.00 0.00 0.00 175.10 176.14 1fki s VAL 24 N 1.61 0.90 0.04 2.92 -7.23 0.14 -0.82 120.40 117.95 1fki s VAL 24 Ca 0.06 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1fki s VAL 24 Cb -0.15 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1fki s VAL 24 CO 0.04 -0.75 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.03 1fki s HIS 25 N -3.18 2.89 0.12 2.82 3.76 -0.76 -0.84 115.29 120.10 1fki s HIS 25 Ca 0.11 -0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.86 1fki s HIS 25 Cb 0.02 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.15 1fki s HIS 25 CO -0.02 0.41 0.28 1.52 -0.85 0.00 0.00 174.74 176.08 1fki s TYR 26 N -1.10 0.12 -0.05 1.40 1.13 -1.26 -0.92 117.35 116.67 1fki s TYR 26 Ca 0.19 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.36 1fki s TYR 26 Cb -0.11 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.81 1fki s TYR 26 CO 0.11 -0.65 -0.05 0.99 -2.51 0.00 0.00 175.55 173.44 1fki s THR 27 N -3.88 0.61 -0.19 -3.49 2.01 -0.41 -1.35 115.64 108.95 1fki s THR 27 Ca 0.08 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 1fki s THR 27 Cb 0.03 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1fki s THR 27 CO -0.08 0.25 0.08 -0.83 -0.69 0.00 0.00 174.62 173.35 1fki s GLY 28 N 1.00 1.95 0.04 4.40 0.00 -0.07 -0.41 107.32 114.24 1fki s GLY 28 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1fki s GLY 28 CO -0.00 0.07 -0.04 1.06 0.00 0.00 0.00 173.10 174.18 1fki s MET 29 N 0.33 0.51 0.78 2.90 -1.94 0.71 -0.70 119.30 121.89 1fki s MET 29 Ca 0.05 -0.92 -0.10 0.00 -1.71 0.00 0.00 55.69 53.01 1fki s MET 29 Cb -0.12 0.03 0.09 0.00 2.01 0.00 0.00 34.83 36.84 1fki s MET 29 CO -0.00 -0.05 1.12 -0.51 -0.01 0.00 0.00 175.02 175.57 1fki s LEU 30 N -2.14 2.67 0.61 -0.03 1.43 -0.34 -1.13 118.68 119.75 1fki s LEU 30 Ca -0.04 0.55 0.30 0.00 -1.03 0.00 0.00 54.13 53.91 1fki s LEU 30 Cb -0.02 -3.05 1.67 0.00 0.03 0.00 0.00 46.19 44.82 1fki s LEU 30 CO -0.04 -1.88 2.04 -0.33 0.23 0.00 0.00 176.35 176.37 1fki h GLU 31 N -0.93 0.00 -0.03 1.70 5.08 -1.90 -0.85 114.58 117.65 1fki h GLU 31 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1fki h GLU 31 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1fki h GLU 31 CO 0.60 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.21 1fki n ASP 32 N -3.56 0.42 0.00 1.42 5.75 -1.26 -4.88 116.55 114.44 1fki n ASP 32 Ca 0.02 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1fki n ASP 32 Cb 0.40 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1fki n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fki n GLY 33 N 0.94 1.12 3.69 6.12 0.00 -0.32 -5.02 105.19 111.72 1fki n GLY 33 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1fki n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fki s LYS 34 N -0.55 4.24 -0.13 1.61 2.20 -1.26 -4.79 119.74 121.07 1fki s LYS 34 Ca 0.00 2.19 -0.23 0.00 -0.36 0.00 0.00 55.97 57.57 1fki s LYS 34 Cb 0.00 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1fki s LYS 34 CO 0.00 -0.65 0.71 0.21 -0.36 0.00 0.00 175.35 175.26 1fki s LYS 35 N 2.30 4.34 -0.00 4.03 2.20 -1.26 -1.20 119.74 130.15 1fki s LYS 35 Ca 0.69 0.84 0.14 0.00 -0.36 0.00 0.00 55.97 57.28 1fki s LYS 35 Cb -0.37 -3.51 -0.16 0.00 -1.51 0.00 0.00 37.83 32.28 1fki s LYS 35 CO 0.30 -0.11 0.56 1.97 -0.36 0.00 0.00 175.35 177.71 1fki n PHE 36 N 4.45 0.00 -3.56 4.03 1.16 0.12 -4.98 117.46 118.68 1fki n PHE 36 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.51 1fki n PHE 36 Cb 0.50 -0.04 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 1fki n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fki s ASP 37 N -2.49 -0.27 -0.28 5.98 2.15 -1.21 -5.01 116.67 115.54 1fki s ASP 37 Ca 0.04 0.09 -0.18 0.00 0.43 0.00 0.00 52.55 52.93 1fki s ASP 37 Cb 0.10 0.26 0.09 0.00 -0.30 0.00 0.00 42.92 43.08 1fki s ASP 37 CO 0.58 -0.39 0.74 -0.55 -0.17 0.00 0.00 175.17 175.38 1fki s SER 38 N -1.98 -0.84 0.23 -0.34 0.15 -1.26 -0.89 113.70 108.76 1fki s SER 38 Ca 0.05 1.40 0.08 0.00 0.70 0.00 0.00 55.95 58.19 1fki s SER 38 Cb -0.01 1.37 0.20 0.00 -1.71 0.00 0.00 66.02 65.87 1fki s SER 38 CO -0.05 -0.23 1.52 0.77 1.20 0.00 0.00 173.24 176.45 1fki h SER 39 N 6.36 0.05 -0.80 5.45 4.64 -1.49 -2.96 113.55 124.79 1fki h SER 39 Ca -0.30 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.04 1fki h SER 39 Cb 1.21 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1fki h SER 39 CO 0.14 0.75 0.50 0.03 -0.87 0.00 0.00 176.83 177.37 1fki h ARG 40 N 0.03 0.91 0.00 4.77 3.08 -1.80 -0.05 114.38 121.32 1fki h ARG 40 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1fki h ARG 40 Cb 1.26 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1fki h ARG 40 CO 0.10 0.60 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.08 1fki h ASP 41 N 0.94 0.00 -0.47 7.04 3.32 -1.86 0.13 116.42 125.52 1fki h ASP 41 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1fki h ASP 41 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1fki h ASP 41 CO -0.14 0.08 0.00 -2.11 -1.72 0.00 0.00 179.24 175.35 1fki n ARG 42 N -3.68 3.13 -4.24 3.56 1.85 -0.36 -4.98 116.66 111.94 1fki n ARG 42 Ca -0.02 -2.53 -0.31 0.00 -1.00 0.00 0.00 57.85 53.99 1fki n ARG 42 Cb 0.19 -1.61 -0.08 0.00 -1.05 0.00 0.00 32.46 29.91 1fki n ARG 42 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1fki n ASN 43 N 0.64 0.46 -3.74 2.89 5.15 0.46 -4.98 115.26 116.15 1fki n ASN 43 Ca 0.19 -1.23 -0.21 0.00 -0.60 0.00 0.00 54.58 52.73 1fki n ASN 43 Cb 0.68 -1.85 -0.18 0.00 -0.53 0.00 0.00 39.78 37.91 1fki n ASN 43 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1fki s LYS 44 N -7.25 0.32 0.51 1.20 2.36 -0.93 -5.02 119.74 110.93 1fki s LYS 44 Ca 0.03 0.20 -0.23 0.00 -2.55 0.00 0.00 55.97 53.42 1fki s LYS 44 Cb -0.01 -0.74 -0.06 0.00 -1.05 0.00 0.00 37.83 35.97 1fki s LYS 44 CO 0.98 -0.29 1.38 -2.14 1.55 0.00 0.00 175.35 176.83 1fki s PRO 45 N 1.91 3.35 0.03 4.03 0.02 -1.26 -4.54 135.00 138.54 1fki s PRO 45 Ca 0.03 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 1fki s PRO 45 Cb -0.12 -2.41 -0.06 0.00 0.02 0.00 0.00 34.50 31.93 1fki s PRO 45 CO -0.04 -1.05 0.47 0.12 -0.33 0.00 0.00 177.00 176.17 1fki s PHE 46 N -1.27 3.76 -0.01 6.54 5.36 -0.02 -4.91 117.98 127.43 1fki s PHE 46 Ca 0.68 1.10 0.05 0.00 -0.96 0.00 0.00 56.93 57.80 1fki s PHE 46 Cb -0.42 -2.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.89 1fki s PHE 46 CO 0.51 0.62 -0.17 0.15 -1.46 0.00 0.00 175.22 174.87 1fki s LYS 47 N -1.09 1.36 0.07 10.12 1.02 -1.26 -0.69 119.74 129.28 1fki s LYS 47 Ca 0.26 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 1fki s LYS 47 Cb -0.18 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1fki s LYS 47 CO 0.15 0.36 0.30 -0.59 -0.92 0.00 0.00 175.35 174.66 1fki s PHE 48 N -0.42 -0.08 -0.24 3.18 -0.71 -0.86 -4.98 117.98 113.87 1fki s PHE 48 Ca 0.06 -0.17 -0.15 0.00 -1.04 0.00 0.00 56.93 55.64 1fki s PHE 48 Cb -0.07 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1fki s PHE 48 CO -0.01 -0.56 0.35 1.41 -1.34 0.00 0.00 175.22 175.07 1fki s MET 49 N -3.15 4.08 0.15 1.99 -2.45 -1.26 -1.11 119.30 117.55 1fki s MET 49 Ca -0.01 0.05 -0.31 0.00 -1.25 0.00 0.00 55.69 54.17 1fki s MET 49 Cb 0.01 -3.60 -0.09 0.00 1.25 0.00 0.00 34.83 32.40 1fki s MET 49 CO -0.07 -0.15 1.46 -1.17 1.05 0.00 0.00 175.02 176.14 1fki s LEU 50 N 1.67 4.37 0.00 4.11 1.98 -0.53 -1.92 118.68 128.36 1fki s LEU 50 Ca 0.15 2.48 0.00 0.00 -2.89 0.00 0.00 54.13 53.87 1fki s LEU 50 Cb -0.15 -3.59 0.00 0.00 0.66 0.00 0.00 46.19 43.10 1fki s LEU 50 CO 0.09 -0.72 0.00 0.61 -1.89 0.00 0.00 176.35 174.44 1fki n GLY 51 N 3.40 1.32 0.00 7.98 0.00 -1.26 -0.68 105.19 115.95 1fki n GLY 51 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1fki n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fki n LYS 52 N -2.00 0.19 -1.85 1.61 4.81 -0.81 -4.92 118.16 115.20 1fki n LYS 52 Ca 0.00 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.26 1fki n LYS 52 Cb 0.00 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.49 1fki n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fki n GLN 53 N -1.40 -1.40 0.00 1.64 1.13 -1.26 -4.88 117.38 111.21 1fki n GLN 53 Ca 0.10 1.08 0.14 0.00 -1.94 0.00 0.00 57.00 56.38 1fki n GLN 53 Cb 0.29 -5.48 0.49 0.00 0.11 0.00 0.00 30.24 25.65 1fki n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1fki n GLU 54 N -2.59 1.37 -4.31 -1.09 0.28 -1.26 -4.84 120.64 108.20 1fki n GLU 54 Ca -0.20 -0.78 -0.17 0.00 -0.16 0.00 0.00 57.16 55.84 1fki n GLU 54 Cb 0.64 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.93 1fki n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1fki s VAL 55 N -2.17 1.54 0.82 3.84 -7.23 -1.26 -5.11 120.40 110.83 1fki s VAL 55 Ca 0.34 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 1fki s VAL 55 Cb 0.20 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 35.26 1fki s VAL 55 CO 0.40 -0.62 0.96 2.30 -0.31 0.00 0.00 175.10 177.82 1fki n ILE 56 N -0.25 1.58 -0.12 -0.62 -5.35 -1.26 -4.68 119.36 108.66 1fki n ILE 56 Ca -0.09 -0.23 0.06 0.00 -0.27 0.00 0.00 62.75 62.22 1fki n ILE 56 Cb 0.60 -1.02 0.38 0.00 -1.74 0.00 0.00 39.64 37.86 1fki n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fki h ARG 57 N -0.96 0.66 0.00 6.28 2.43 -1.82 -1.03 114.38 119.94 1fki h ARG 57 Ca -0.46 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1fki h ARG 57 Cb 1.30 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1fki h ARG 57 CO 0.43 0.44 -0.12 0.78 -1.51 0.00 0.00 179.97 179.99 1fki h GLY 58 N 0.68 0.00 1.03 2.80 0.00 -1.43 0.55 103.07 106.70 1fki h GLY 58 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.34 1fki h GLY 58 CO -0.07 0.00 -1.03 1.49 0.00 0.00 0.00 176.54 176.93 1fki h TRP 59 N 0.00 0.84 -0.46 5.60 4.06 -1.48 -0.67 115.95 123.84 1fki h TRP 59 Ca -0.00 -0.53 -0.06 0.00 2.06 0.00 0.00 58.89 60.35 1fki h TRP 59 Cb 0.21 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1fki h TRP 59 CO 0.00 1.38 0.04 1.49 -3.56 0.00 0.00 178.44 177.79 1fki h GLU 60 N 0.07 0.79 0.08 0.49 4.81 -0.71 -1.14 114.58 118.97 1fki h GLU 60 Ca -0.16 -0.23 -0.26 0.00 -0.13 0.00 0.00 59.36 58.59 1fki h GLU 60 Cb 1.74 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 31.04 1fki h GLU 60 CO 0.20 0.82 -1.13 0.93 -0.73 0.00 0.00 179.01 179.10 1fki h GLU 61 N 0.65 0.34 0.22 1.92 5.08 -1.04 -2.87 114.58 118.87 1fki h GLU 61 Ca 0.14 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1fki h GLU 61 Cb 0.44 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1fki h GLU 61 CO 0.02 1.18 -0.10 0.78 -1.00 0.00 0.00 179.01 179.88 1fki h GLY 62 N 1.39 -0.31 2.00 -3.84 0.00 -1.10 -3.17 103.07 98.04 1fki h GLY 62 Ca -0.12 0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1fki h GLY 62 CO 0.19 -0.11 -0.37 -2.08 0.00 0.00 0.00 176.54 174.17 1fki h VAL 63 N -0.65 0.84 0.00 4.60 2.07 -1.34 -1.93 116.25 119.84 1fki h VAL 63 Ca -0.03 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1fki h VAL 63 Cb 0.46 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1fki h VAL 63 CO 0.05 0.36 -0.00 0.00 0.02 0.00 0.00 177.57 178.00 1fki h ALA 64 N 1.63 1.01 -0.52 1.67 0.00 -1.48 -1.88 119.26 119.70 1fki h ALA 64 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1fki h ALA 64 Cb 0.92 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1fki h ALA 64 CO 0.05 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.42 1fki n GLN 65 N -3.10 3.07 -4.30 0.00 10.64 -0.73 -4.45 117.38 118.52 1fki n GLN 65 Ca -0.02 -3.04 -0.30 0.00 -1.83 0.00 0.00 57.00 51.81 1fki n GLN 65 Cb 0.12 -2.02 -0.10 0.00 -0.86 0.00 0.00 30.24 27.37 1fki n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1fki s MET 66 N -3.01 2.21 0.27 2.61 -1.94 -0.71 -5.10 119.30 113.64 1fki s MET 66 Ca 0.49 -0.96 0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1fki s MET 66 Cb 0.40 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.87 1fki s MET 66 CO 0.09 0.53 0.12 -1.54 -0.01 0.00 0.00 175.02 174.21 1fki s SER 67 N -2.02 5.06 0.27 3.03 1.04 -1.26 -4.04 113.70 115.78 1fki s SER 67 Ca 0.20 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1fki s SER 67 Cb -0.11 -1.10 -0.12 0.00 0.10 0.00 0.00 66.02 64.79 1fki s SER 67 CO 0.12 -0.07 1.55 0.52 0.98 0.00 0.00 173.24 176.35 1fki n VAL 68 N -1.08 0.95 -0.03 5.02 0.31 -0.79 -1.56 118.33 121.15 1fki n VAL 68 Ca -0.06 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1fki n VAL 68 Cb 0.59 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1fki n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fki n GLY 69 N 2.26 1.59 3.77 2.92 0.00 0.44 -2.30 105.19 113.87 1fki n GLY 69 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1fki n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fki s GLN 70 N -0.45 4.18 -0.09 1.61 0.74 -0.60 -4.22 119.66 120.82 1fki s GLN 70 Ca 0.00 1.67 0.02 0.00 0.05 0.00 0.00 55.36 57.10 1fki s GLN 70 Cb 0.00 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.45 1fki s GLN 70 CO 0.00 -0.16 -0.15 0.50 -0.55 0.00 0.00 175.29 174.92 1fki s ARG 71 N -2.29 2.17 0.08 1.67 3.52 -0.22 -1.50 118.95 122.39 1fki s ARG 71 Ca 0.56 -0.56 -0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1fki s ARG 71 Cb -0.26 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.30 1fki s ARG 71 CO 0.33 -0.00 0.04 0.00 -0.81 0.00 0.00 175.30 174.86 1fki s ALA 72 N 0.81 0.44 -0.28 6.12 0.00 0.04 -0.68 121.76 128.22 1fki s ALA 72 Ca -0.11 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 1fki s ALA 72 Cb -0.16 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1fki s ALA 72 CO 0.01 -0.44 0.07 0.21 0.00 0.00 0.00 175.76 175.62 1fki s LYS 73 N -3.94 3.26 -0.24 0.00 2.20 0.56 -0.78 119.74 120.80 1fki s LYS 73 Ca 0.11 -0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 54.88 1fki s LYS 73 Cb 0.07 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1fki s LYS 73 CO -0.07 -0.36 0.15 -0.51 -0.36 0.00 0.00 175.35 174.20 1fki s LEU 74 N 1.53 4.07 -0.31 5.43 1.43 0.54 -0.82 118.68 130.55 1fki s LEU 74 Ca 0.04 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1fki s LEU 74 Cb -0.16 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1fki s LEU 74 CO 0.02 0.07 0.12 -0.89 0.23 0.00 0.00 176.35 175.90 1fki s THR 75 N 1.03 4.22 -0.18 5.49 2.01 -0.33 -1.06 115.64 126.83 1fki s THR 75 Ca 0.07 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1fki s THR 75 Cb -0.13 -3.20 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 1fki s THR 75 CO 0.04 0.02 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.26 1fki s ILE 76 N 1.53 2.95 0.60 1.82 1.01 0.17 -0.99 121.20 128.30 1fki s ILE 76 Ca 0.03 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 1fki s ILE 76 Cb -0.17 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1fki s ILE 76 CO 0.04 0.48 1.13 -0.94 0.00 0.00 0.00 174.94 175.65 1fki s SER 77 N 1.05 5.42 0.45 3.58 1.04 -0.39 -1.42 113.70 123.43 1fki s SER 77 Ca -0.00 2.12 0.21 0.00 0.48 0.00 0.00 55.95 58.75 1fki s SER 77 Cb -0.15 -2.57 1.18 0.00 0.10 0.00 0.00 66.02 64.59 1fki s SER 77 CO -0.02 -1.42 1.89 1.55 0.98 0.00 0.00 173.24 176.21 1fki h PRO 78 N 0.67 0.28 0.00 4.02 0.13 -1.86 -0.81 132.00 134.44 1fki h PRO 78 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fki h PRO 78 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fki h PRO 78 CO 0.55 0.19 0.00 -0.40 -0.23 0.00 0.00 178.00 178.11 1fki n ASP 79 N -4.45 0.08 -0.76 1.44 5.75 -1.26 -0.80 116.55 116.56 1fki n ASP 79 Ca 0.17 0.52 0.07 0.00 -0.01 0.00 0.00 54.79 55.54 1fki n ASP 79 Cb 0.70 -0.54 0.16 0.00 -1.03 0.00 0.00 41.12 40.41 1fki n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1fki n TYR 80 N -1.59 0.44 0.00 2.11 4.02 -0.32 -4.86 117.16 116.96 1fki n TYR 80 Ca 0.04 -0.37 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1fki n TYR 80 Cb 0.19 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1fki n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fki n ALA 81 N 0.81 0.00 -0.05 -0.72 0.00 -0.30 -1.05 120.51 119.20 1fki n ALA 81 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1fki n ALA 81 Cb 0.45 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.04 1fki n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fki n TYR 82 N 0.00 0.41 -0.87 0.00 4.01 -1.15 -4.76 117.16 114.80 1fki n TYR 82 Ca 0.00 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1fki n TYR 82 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1fki n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fki n GLY 83 N 0.64 3.04 0.20 2.72 0.00 0.02 -2.44 105.19 109.36 1fki n GLY 83 Ca 0.12 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1fki n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fki h ALA 84 N -0.66 0.90 0.03 4.61 0.00 -1.93 0.21 119.26 122.42 1fki h ALA 84 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1fki h ALA 84 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fki h ALA 84 CO 0.00 0.09 -0.99 1.79 0.00 0.00 0.00 179.25 180.14 1fki h THR 85 N 0.00 1.50 -0.40 0.00 1.35 -1.86 -3.39 112.91 110.11 1fki h THR 85 Ca -0.00 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1fki h THR 85 Cb 1.05 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1fki h THR 85 CO 0.01 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1fki n GLY 86 N 1.09 0.05 2.81 5.82 0.00 -1.02 -4.57 105.19 109.35 1fki n GLY 86 Ca -0.05 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1fki n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fki s HIS 87 N 0.00 1.73 -0.59 1.61 2.46 -0.13 -4.90 115.29 115.48 1fki s HIS 87 Ca 0.00 -1.46 -0.41 0.00 0.47 0.00 0.00 55.06 53.66 1fki s HIS 87 Cb 0.00 -1.46 -0.19 0.00 -0.13 0.00 0.00 32.58 30.80 1fki s HIS 87 CO 0.00 -0.75 2.25 -2.30 -2.47 0.00 0.00 174.74 171.47 1fki n PRO 88 N 4.85 0.06 -0.05 2.88 -0.01 -1.26 -0.68 135.00 140.78 1fki n PRO 88 Ca -0.07 0.01 0.00 0.00 -0.01 0.00 0.00 63.50 63.43 1fki n PRO 88 Cb 0.45 -1.56 0.00 0.00 -0.01 0.00 0.00 33.50 32.38 1fki n PRO 88 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1fki n GLY 89 N 7.26 1.99 0.78 -1.23 0.00 -1.26 -4.82 105.19 107.90 1fki n GLY 89 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 1fki n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fki n ILE 90 N -2.00 0.91 -4.24 -0.61 5.41 -0.32 -5.04 119.36 113.47 1fki n ILE 90 Ca 0.00 0.28 -0.34 0.00 1.00 0.00 0.00 62.75 63.68 1fki n ILE 90 Cb 0.00 -1.59 -0.12 0.00 -0.71 0.00 0.00 39.64 37.21 1fki n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fki s ILE 91 N -1.86 3.86 0.73 1.39 1.01 0.14 -4.96 121.20 121.50 1fki s ILE 91 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 1fki s ILE 91 Cb 0.01 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.80 1fki s ILE 91 CO 0.08 0.46 1.12 -2.16 0.00 0.00 0.00 174.94 174.44 1fki s PRO 92 N 0.70 2.39 0.25 2.79 0.04 -1.26 -0.95 135.00 138.95 1fki s PRO 92 Ca -0.01 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 1fki s PRO 92 Cb -0.14 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.36 1fki s PRO 92 CO 0.02 -1.57 1.28 -0.35 0.04 0.00 0.00 177.00 176.43 1fki n PRO 93 N -3.00 1.79 -3.21 0.56 -0.04 -1.26 -3.19 135.00 126.64 1fki n PRO 93 Ca 0.10 0.63 -0.22 0.00 -0.04 0.00 0.00 63.50 63.97 1fki n PRO 93 Cb 0.52 -2.20 0.05 0.00 -0.04 0.00 0.00 33.50 31.83 1fki n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fki n HIS 94 N 1.32 -2.25 -3.42 0.54 8.25 0.75 -4.97 115.22 115.44 1fki n HIS 94 Ca 0.11 0.69 -0.38 0.00 -0.26 0.00 0.00 57.72 57.88 1fki n HIS 94 Cb 0.31 -4.60 -0.06 0.00 1.12 0.00 0.00 29.99 26.76 1fki n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fki s ALA 95 N -3.22 3.63 0.07 -1.41 0.00 -1.19 -4.78 121.76 114.86 1fki s ALA 95 Ca 0.40 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 1fki s ALA 95 Cb -0.18 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1fki s ALA 95 CO 0.49 0.37 0.93 0.99 0.00 0.00 0.00 175.76 178.55 1fki s THR 96 N -0.74 4.64 -0.01 0.00 2.01 -1.26 -3.42 115.64 116.84 1fki s THR 96 Ca 0.25 2.00 0.04 0.00 0.31 0.00 0.00 61.69 64.29 1fki s THR 96 Cb -0.17 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1fki s THR 96 CO 0.14 0.28 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.48 1fki s LEU 97 N 0.26 2.94 -0.08 4.42 1.02 -0.51 -4.09 118.68 122.64 1fki s LEU 97 Ca 0.47 -0.20 0.05 0.00 0.02 0.00 0.00 54.13 54.47 1fki s LEU 97 Cb -0.22 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.31 1fki s LEU 97 CO 0.28 0.30 -0.24 -0.69 0.02 0.00 0.00 176.35 176.02 1fki s VAL 98 N -0.89 2.04 -0.03 -1.59 1.01 -0.28 -0.66 120.40 120.01 1fki s VAL 98 Ca 0.14 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1fki s VAL 98 Cb -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1fki s VAL 98 CO 0.04 0.56 -0.14 -0.36 0.00 0.00 0.00 175.10 175.20 1fki s PHE 99 N 0.14 1.37 -0.27 5.22 0.40 -0.22 -0.21 117.98 124.40 1fki s PHE 99 Ca -0.13 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1fki s PHE 99 Cb -0.16 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1fki s PHE 99 CO 0.07 -0.09 0.27 0.34 0.70 0.00 0.00 175.22 176.51 1fki s ASP 100 N -0.08 6.14 -0.05 1.36 2.15 0.46 -0.34 116.67 126.31 1fki s ASP 100 Ca 0.00 0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.18 1fki s ASP 100 Cb -0.08 -2.16 -0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1fki s ASP 100 CO 0.01 -0.09 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.03 1fki s VAL 101 N 1.78 1.59 -0.17 1.11 1.01 0.04 -1.29 120.40 124.48 1fki s VAL 101 Ca 0.11 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1fki s VAL 101 Cb -0.16 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1fki s VAL 101 CO 0.10 0.45 -0.20 -0.70 0.00 0.00 0.00 175.10 174.75 1fki s GLU 102 N 0.02 3.02 -0.55 2.72 2.12 -0.10 -0.78 118.70 125.15 1fki s GLU 102 Ca -0.05 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.23 1fki s GLU 102 Cb -0.12 -2.54 0.05 0.00 0.26 0.00 0.00 34.13 31.78 1fki s GLU 102 CO 0.03 -0.13 0.86 -1.17 -0.54 0.00 0.00 175.26 174.30 1fki s LEU 103 N 1.12 4.40 0.00 2.70 2.96 -0.56 -1.82 118.68 127.47 1fki s LEU 103 Ca 0.01 -0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 53.14 1fki s LEU 103 Cb -0.14 -2.66 -0.34 0.00 0.50 0.00 0.00 46.19 43.55 1fki s LEU 103 CO -0.09 -1.17 0.93 -0.07 -1.32 0.00 0.00 176.35 174.64 1fki h LEU 104 N 10.67 0.75 -7.72 -0.68 3.38 -1.29 0.13 115.31 120.54 1fki h LEU 104 Ca -0.27 -0.93 0.24 0.00 0.09 0.00 0.00 57.88 57.01 1fki h LEU 104 Cb 1.08 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1fki h LEU 104 CO 1.07 1.66 0.69 -1.59 0.09 0.00 0.00 178.44 180.35 1fki s LYS 105 N -2.56 0.89 0.01 1.13 -2.85 -1.07 -4.52 119.74 110.76 1fki s LYS 105 Ca -0.11 -0.54 0.07 0.00 -1.00 0.00 0.00 55.97 54.39 1fki s LYS 105 Cb 0.04 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.05 1fki s LYS 105 CO 0.91 -0.41 -0.22 -0.51 0.10 0.00 0.00 175.35 175.22 1fki s LEU 106 N -3.29 2.09 0.00 2.77 1.43 -1.26 -1.17 118.68 119.25 1fki s LEU 106 Ca 0.20 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1fki s LEU 106 Cb -0.00 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1fki s LEU 106 CO 0.01 0.24 0.00 -0.62 0.23 0.00 0.00 176.35 176.22