#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkj s VAL 2 N 0.00 0.71 -0.07 1.61 0.11 -1.26 -1.94 120.40 119.57 1fkj s VAL 2 Ca 0.00 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1fkj s VAL 2 Cb 0.00 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1fkj s VAL 2 CO 0.00 0.22 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.78 1fkj s GLN 3 N 0.13 2.71 -0.18 1.54 -0.21 -0.52 -4.94 119.66 118.19 1fkj s GLN 3 Ca -0.02 -0.63 -0.00 0.00 0.02 0.00 0.00 55.36 54.73 1fkj s GLN 3 Cb -0.07 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.44 1fkj s GLN 3 CO 0.00 0.60 -0.16 0.08 -2.12 0.00 0.00 175.29 173.70 1fkj s VAL 4 N -0.65 2.48 -0.13 1.09 1.01 -1.26 -1.17 120.40 121.77 1fkj s VAL 4 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1fkj s VAL 4 Cb -0.11 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1fkj s VAL 4 CO 0.01 0.51 -0.18 -1.61 0.00 0.00 0.00 175.10 173.84 1fkj s GLU 5 N 1.21 2.54 -0.06 2.72 2.02 -0.59 -4.97 118.70 121.56 1fkj s GLU 5 Ca 0.02 -0.67 -0.26 0.00 0.02 0.00 0.00 54.97 54.08 1fkj s GLU 5 Cb -0.14 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.93 1fkj s GLU 5 CO -0.08 -0.08 0.84 0.99 0.02 0.00 0.00 175.26 176.95 1fkj s THR 6 N 1.01 4.94 -0.20 3.63 2.01 -1.26 -0.66 115.64 125.11 1fkj s THR 6 Ca -0.05 1.72 -0.19 0.00 0.31 0.00 0.00 61.69 63.48 1fkj s THR 6 Cb -0.15 -4.17 -0.16 0.00 0.01 0.00 0.00 72.50 68.03 1fkj s THR 6 CO -0.03 0.17 0.12 -0.38 -0.69 0.00 0.00 174.62 173.80 1fkj n ILE 7 N 4.02 1.51 -4.27 1.82 5.41 0.14 -4.94 119.36 123.04 1fkj n ILE 7 Ca 0.03 -0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.59 1fkj n ILE 7 Cb 0.51 -2.09 -0.15 0.00 -0.71 0.00 0.00 39.64 37.19 1fkj n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkj s SER 8 N -6.70 0.98 0.67 4.38 0.01 -0.86 -4.97 113.70 107.21 1fkj s SER 8 Ca -0.27 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.70 1fkj s SER 8 Cb 0.06 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.01 1fkj s SER 8 CO 0.52 0.03 1.10 -2.16 0.41 0.00 0.00 173.24 173.15 1fkj s PRO 9 N 0.30 2.78 0.00 12.44 0.04 -1.26 -1.61 135.00 147.68 1fkj s PRO 9 Ca -0.04 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1fkj s PRO 9 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1fkj s PRO 9 CO 0.00 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1fkj n GLY 10 N -0.76 1.59 0.00 0.56 0.00 -1.26 -4.15 105.19 101.16 1fkj n GLY 10 Ca 0.10 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 44.27 1fkj n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkj n ASP 11 N -0.25 0.00 -0.54 1.61 5.75 -0.33 -4.85 116.55 117.94 1fkj n ASP 11 Ca 0.00 -0.59 -0.07 0.00 -0.01 0.00 0.00 54.79 54.12 1fkj n ASP 11 Cb 0.00 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 1fkj n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkj n GLY 12 N 1.01 0.78 0.00 6.12 0.00 -1.26 -4.70 105.19 107.14 1fkj n GLY 12 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1fkj n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fkj n ARG 13 N -1.15 1.84 -3.34 1.61 1.85 -1.26 -5.03 116.66 111.18 1fkj n ARG 13 Ca -0.07 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.32 1fkj n ARG 13 Cb 0.44 -0.32 -0.05 0.00 -1.05 0.00 0.00 32.46 31.48 1fkj n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fkj s THR 14 N -0.52 5.16 -0.01 8.89 2.01 -1.26 -5.05 115.64 124.86 1fkj s THR 14 Ca 0.00 -1.67 -0.00 0.00 0.31 0.00 0.00 61.69 60.33 1fkj s THR 14 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1fkj s THR 14 CO 0.00 -0.88 0.06 -0.36 -0.69 0.00 0.00 174.62 172.74 1fkj s PHE 15 N 1.36 3.23 0.25 4.92 0.40 -1.26 -1.54 117.98 125.34 1fkj s PHE 15 Ca 0.05 0.18 -0.31 0.00 -0.60 0.00 0.00 56.93 56.25 1fkj s PHE 15 Cb -0.27 -1.72 -0.12 0.00 0.51 0.00 0.00 43.02 41.42 1fkj s PHE 15 CO 0.01 0.53 1.61 -2.30 0.70 0.00 0.00 175.22 175.77 1fkj n PRO 16 N 1.30 2.61 -4.34 0.24 -0.02 -1.26 -5.04 135.00 128.49 1fkj n PRO 16 Ca -0.14 0.93 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 1fkj n PRO 16 Cb 0.53 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.19 1fkj n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1fkj s LYS 17 N 0.07 1.93 0.42 -0.52 -0.14 -1.26 -4.89 119.74 115.35 1fkj s LYS 17 Ca 0.69 -1.39 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 1fkj s LYS 17 Cb -0.53 -2.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.48 1fkj s LYS 17 CO 0.43 0.41 1.41 1.03 -0.76 0.00 0.00 175.35 177.88 1fkj s ARG 18 N -2.95 3.85 0.00 1.68 0.52 -1.26 -2.31 118.95 118.48 1fkj s ARG 18 Ca 0.25 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.86 1fkj s ARG 18 Cb -0.08 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1fkj s ARG 18 CO 0.14 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1fkj n GLY 19 N 0.58 0.80 3.94 -3.53 0.00 -1.19 -4.99 105.19 100.80 1fkj n GLY 19 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1fkj n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkj s GLN 20 N -0.20 3.48 -0.23 1.61 -0.21 -0.98 -5.00 119.66 118.13 1fkj s GLN 20 Ca 0.00 -0.47 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 1fkj s GLN 20 Cb 0.00 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 1fkj s GLN 20 CO 0.00 0.42 0.40 0.99 -2.12 0.00 0.00 175.29 174.98 1fkj s THR 21 N -1.88 5.18 -0.08 -0.19 2.01 -1.26 -4.01 115.64 115.41 1fkj s THR 21 Ca 0.37 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 1fkj s THR 21 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1fkj s THR 21 CO 0.29 0.21 0.68 0.00 -0.69 0.00 0.00 174.62 175.11 1fkj s VAL 23 N 0.83 4.17 0.13 0.00 1.01 -0.41 -1.89 120.40 124.23 1fkj s VAL 23 Ca 0.36 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1fkj s VAL 23 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1fkj s VAL 23 CO 0.17 0.36 -0.06 0.68 0.00 0.00 0.00 175.10 176.25 1fkj s VAL 24 N 1.52 0.79 0.01 2.92 -7.23 -0.01 -0.78 120.40 117.62 1fkj s VAL 24 Ca 0.06 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1fkj s VAL 24 Cb -0.15 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1fkj s VAL 24 CO 0.03 -0.75 -0.14 -1.00 -0.31 0.00 0.00 175.10 172.92 1fkj s HIS 25 N -3.57 2.67 0.03 2.82 3.76 -0.84 -0.63 115.29 119.54 1fkj s HIS 25 Ca 0.16 -0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 1fkj s HIS 25 Cb 0.05 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.20 1fkj s HIS 25 CO -0.02 0.26 0.19 1.52 -0.85 0.00 0.00 174.74 175.85 1fkj s TYR 26 N -0.90 0.04 -0.07 1.40 1.13 -1.26 -1.14 117.35 116.56 1fkj s TYR 26 Ca 0.15 -0.23 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 1fkj s TYR 26 Cb -0.11 -0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.75 1fkj s TYR 26 CO 0.05 -0.41 -0.08 0.99 -2.51 0.00 0.00 175.55 173.59 1fkj s THR 27 N -2.33 0.86 -0.13 -3.49 2.01 -0.79 -1.01 115.64 110.75 1fkj s THR 27 Ca -0.07 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1fkj s THR 27 Cb -0.02 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1fkj s THR 27 CO -0.03 0.31 0.08 -0.83 -0.69 0.00 0.00 174.62 173.46 1fkj s GLY 28 N 1.14 1.99 0.04 4.40 0.00 -0.08 -0.97 107.32 113.84 1fkj s GLY 28 Ca -0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 1fkj s GLY 28 CO -0.01 -0.31 0.05 1.06 0.00 0.00 0.00 173.10 173.89 1fkj s MET 29 N -0.58 0.54 0.98 2.90 -1.94 0.11 -1.22 119.30 120.09 1fkj s MET 29 Ca 0.11 -0.79 -0.15 0.00 -1.71 0.00 0.00 55.69 53.15 1fkj s MET 29 Cb -0.12 0.20 0.19 0.00 2.01 0.00 0.00 34.83 37.12 1fkj s MET 29 CO 0.02 -0.12 1.22 -0.51 -0.01 0.00 0.00 175.02 175.62 1fkj s LEU 30 N -2.11 2.12 0.59 -0.03 1.02 -0.48 -1.16 118.68 118.62 1fkj s LEU 30 Ca -0.05 0.56 0.38 0.00 0.02 0.00 0.00 54.13 55.04 1fkj s LEU 30 Cb -0.01 -2.66 1.81 0.00 0.02 0.00 0.00 46.19 45.35 1fkj s LEU 30 CO -0.05 -2.87 2.14 -0.33 0.02 0.00 0.00 176.35 175.26 1fkj h GLU 31 N -1.73 0.00 -0.33 1.70 4.39 -1.91 -0.41 114.58 116.29 1fkj h GLU 31 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1fkj h GLU 31 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1fkj h GLU 31 CO 0.46 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.91 1fkj n ASP 32 N -3.04 2.16 0.00 1.42 5.75 -1.26 -4.93 116.55 116.66 1fkj n ASP 32 Ca -0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1fkj n ASP 32 Cb 0.20 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1fkj n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkj n GLY 33 N 1.19 0.77 3.67 6.12 0.00 -0.16 -5.01 105.19 111.76 1fkj n GLY 33 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1fkj n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkj s LYS 34 N -0.65 4.24 0.09 1.61 1.02 -1.26 -4.72 119.74 120.07 1fkj s LYS 34 Ca 0.00 1.87 -0.30 0.00 0.02 0.00 0.00 55.97 57.55 1fkj s LYS 34 Cb 0.00 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 33.48 1fkj s LYS 34 CO 0.00 -0.70 1.20 0.21 -0.92 0.00 0.00 175.35 175.14 1fkj s LYS 35 N 3.33 4.44 -0.01 1.68 2.20 -1.26 -1.38 119.74 128.74 1fkj s LYS 35 Ca 0.62 1.80 0.08 0.00 -0.36 0.00 0.00 55.97 58.10 1fkj s LYS 35 Cb -0.27 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1fkj s LYS 35 CO 0.22 -0.22 0.24 1.97 -0.36 0.00 0.00 175.35 177.19 1fkj n PHE 36 N 3.63 0.00 -3.52 4.03 1.16 -0.35 -4.97 117.46 117.44 1fkj n PHE 36 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 1fkj n PHE 36 Cb 0.46 -0.10 -0.04 0.00 -1.61 0.00 0.00 39.48 38.19 1fkj n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkj s ASP 37 N -2.36 -0.51 -0.27 5.98 2.15 -1.21 -5.02 116.67 115.43 1fkj s ASP 37 Ca -0.00 0.38 -0.16 0.00 0.43 0.00 0.00 52.55 53.19 1fkj s ASP 37 Cb 0.05 0.46 0.08 0.00 -0.30 0.00 0.00 42.92 43.21 1fkj s ASP 37 CO 0.31 -0.60 0.67 -0.55 -0.17 0.00 0.00 175.17 174.84 1fkj s SER 38 N -1.67 -0.90 0.36 -0.34 0.15 -1.26 -0.91 113.70 109.13 1fkj s SER 38 Ca -0.03 1.47 0.19 0.00 0.70 0.00 0.00 55.95 58.27 1fkj s SER 38 Cb -0.00 1.35 0.53 0.00 -1.71 0.00 0.00 66.02 66.19 1fkj s SER 38 CO 0.00 -0.24 1.66 0.77 1.20 0.00 0.00 173.24 176.64 1fkj h SER 39 N 6.87 0.00 -0.27 5.45 4.64 -1.38 -3.18 113.55 125.69 1fkj h SER 39 Ca -0.30 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 1fkj h SER 39 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1fkj h SER 39 CO 0.16 0.38 -0.12 0.03 -0.87 0.00 0.00 176.83 176.41 1fkj h ARG 40 N 0.00 0.69 0.00 4.77 3.08 -1.84 -2.03 114.38 119.04 1fkj h ARG 40 Ca -0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1fkj h ARG 40 Cb 1.02 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1fkj h ARG 40 CO 0.05 0.79 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.23 1fkj h ASP 41 N 0.63 0.00 0.05 7.04 3.32 -1.89 -1.12 116.42 124.44 1fkj h ASP 41 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fkj h ASP 41 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1fkj h ASP 41 CO 0.04 0.07 -0.15 0.54 -1.72 0.00 0.00 179.24 178.02 1fkj n ARG 42 N -3.45 1.53 -3.90 3.56 1.74 -0.81 -4.97 116.66 110.36 1fkj n ARG 42 Ca -0.02 -1.07 -0.31 0.00 -0.77 0.00 0.00 57.85 55.68 1fkj n ARG 42 Cb 0.22 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1fkj n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fkj n ASN 43 N 0.20 -3.94 -3.58 0.55 3.02 -0.42 -4.96 115.26 106.12 1fkj n ASN 43 Ca 0.14 -0.77 -0.18 0.00 -0.03 0.00 0.00 54.58 53.75 1fkj n ASN 43 Cb 0.43 -3.20 -0.14 0.00 -0.61 0.00 0.00 39.78 36.26 1fkj n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1fkj s LYS 44 N -6.59 0.13 0.78 3.52 2.20 -1.16 -5.06 119.74 113.55 1fkj s LYS 44 Ca 0.63 0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 1fkj s LYS 44 Cb -0.33 -0.80 0.04 0.00 -1.51 0.00 0.00 37.83 35.23 1fkj s LYS 44 CO 0.78 -0.50 1.03 -2.30 -0.36 0.00 0.00 175.35 174.00 1fkj n PRO 45 N 5.32 0.30 -4.00 4.03 -0.02 -1.26 -4.70 135.00 134.68 1fkj n PRO 45 Ca -0.05 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 1fkj n PRO 45 Cb 0.50 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1fkj n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fkj s PHE 46 N -1.99 3.47 0.03 6.00 5.36 0.20 -4.91 117.98 126.13 1fkj s PHE 46 Ca 0.72 0.42 0.08 0.00 -0.96 0.00 0.00 56.93 57.19 1fkj s PHE 46 Cb -0.31 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1fkj s PHE 46 CO 0.52 0.63 -0.23 0.15 -1.46 0.00 0.00 175.22 174.82 1fkj s LYS 47 N -0.86 1.64 0.15 10.12 1.02 -1.26 -0.83 119.74 129.72 1fkj s LYS 47 Ca 0.14 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.92 1fkj s LYS 47 Cb -0.12 -1.74 0.07 0.00 -0.52 0.00 0.00 37.83 35.52 1fkj s LYS 47 CO 0.03 0.45 0.59 -0.59 -0.92 0.00 0.00 175.35 174.91 1fkj s PHE 48 N -0.75 -0.52 -0.03 3.18 -0.71 -0.79 -4.99 117.98 113.37 1fkj s PHE 48 Ca 0.09 0.34 0.04 0.00 -1.04 0.00 0.00 56.93 56.36 1fkj s PHE 48 Cb -0.09 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1fkj s PHE 48 CO 0.01 -0.82 -0.15 -1.64 -1.34 0.00 0.00 175.22 171.28 1fkj s MET 49 N -3.62 2.42 0.32 1.99 -1.94 -1.26 -0.18 119.30 117.03 1fkj s MET 49 Ca 0.00 -0.75 -0.27 0.00 -1.71 0.00 0.00 55.69 52.97 1fkj s MET 49 Cb -0.01 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.40 1fkj s MET 49 CO -0.12 0.61 1.01 -1.17 -0.01 0.00 0.00 175.02 175.34 1fkj s LEU 50 N -0.88 4.38 0.00 -0.03 2.96 -1.26 -4.04 118.68 119.82 1fkj s LEU 50 Ca 0.12 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1fkj s LEU 50 Cb -0.11 -3.91 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1fkj s LEU 50 CO 0.02 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1fkj n GLY 51 N 0.79 0.61 0.05 7.98 0.00 -1.26 -3.15 105.19 110.22 1fkj n GLY 51 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1fkj n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkj n LYS 52 N -2.01 1.83 -3.31 1.61 5.02 -1.26 -4.97 118.16 115.08 1fkj n LYS 52 Ca 0.00 -2.24 -0.23 0.00 -2.02 0.00 0.00 58.31 53.82 1fkj n LYS 52 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1fkj n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fkj n GLN 53 N -1.14 -3.56 0.18 1.97 6.02 -1.26 -4.90 117.38 114.70 1fkj n GLN 53 Ca 0.11 0.53 0.12 0.00 -0.01 0.00 0.00 57.00 57.75 1fkj n GLN 53 Cb 0.52 -5.25 0.18 0.00 1.02 0.00 0.00 30.24 26.70 1fkj n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1fkj h GLU 54 N -1.01 0.00 -4.59 -1.09 5.08 -1.93 -3.46 114.58 107.57 1fkj h GLU 54 Ca -0.44 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.69 1fkj h GLU 54 Cb 1.30 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1fkj h GLU 54 CO 0.53 0.00 -0.65 0.14 -1.00 0.00 0.00 179.01 178.03 1fkj s VAL 55 N -3.22 0.33 0.67 3.13 -7.23 -1.26 -5.03 120.40 107.78 1fkj s VAL 55 Ca 0.06 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 1fkj s VAL 55 Cb 0.07 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1fkj s VAL 55 CO 0.68 -0.42 1.20 2.30 -0.31 0.00 0.00 175.10 178.55 1fkj n ILE 56 N -0.17 4.29 0.26 -0.62 -5.35 -1.26 -4.78 119.36 111.73 1fkj n ILE 56 Ca -0.05 -0.46 0.09 0.00 -0.27 0.00 0.00 62.75 62.06 1fkj n ILE 56 Cb 0.64 -1.37 0.68 0.00 -1.74 0.00 0.00 39.64 37.85 1fkj n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkj h ARG 57 N 0.29 0.00 -0.54 6.28 9.65 -1.91 -1.48 114.38 126.67 1fkj h ARG 57 Ca -0.50 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.37 1fkj h ARG 57 Cb 1.34 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.89 1fkj h ARG 57 CO 0.51 0.00 0.29 0.78 2.80 0.00 0.00 179.97 184.35 1fkj h GLY 58 N 0.00 0.79 0.80 2.80 0.00 -1.69 -0.84 103.07 104.93 1fkj h GLY 58 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1fkj h GLY 58 CO -0.00 0.33 -0.56 1.49 0.00 0.00 0.00 176.54 177.79 1fkj h TRP 59 N 0.75 0.62 -0.41 5.60 4.06 -1.55 -1.21 115.95 123.81 1fkj h TRP 59 Ca 0.19 -0.32 0.07 0.00 2.06 0.00 0.00 58.89 60.89 1fkj h TRP 59 Cb 0.03 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.05 1fkj h TRP 59 CO 0.00 1.12 0.05 1.49 -3.56 0.00 0.00 178.44 177.54 1fkj h GLU 60 N -0.05 0.16 0.01 0.49 4.57 -1.21 -0.23 114.58 118.33 1fkj h GLU 60 Ca -0.06 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 1fkj h GLU 60 Cb 1.26 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1fkj h GLU 60 CO 0.11 0.11 -0.91 0.93 -1.18 0.00 0.00 179.01 178.07 1fkj h GLU 61 N 0.16 0.16 0.09 1.92 4.39 -1.25 -3.21 114.58 116.83 1fkj h GLU 61 Ca 0.20 -0.19 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1fkj h GLU 61 Cb 0.26 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1fkj h GLU 61 CO -0.29 0.96 -0.72 0.78 -1.16 0.00 0.00 179.01 178.58 1fkj h GLY 62 N 2.02 0.38 2.00 -3.84 0.00 -0.95 -3.34 103.07 99.33 1fkj h GLY 62 Ca -0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.36 1fkj h GLY 62 CO 0.14 0.74 -0.41 -2.08 0.00 0.00 0.00 176.54 174.92 1fkj h VAL 63 N -0.28 1.04 0.00 4.60 2.07 -1.19 -2.39 116.25 120.11 1fkj h VAL 63 Ca -0.11 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1fkj h VAL 63 Cb 1.51 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1fkj h VAL 63 CO 0.14 0.40 -0.00 0.00 0.02 0.00 0.00 177.57 178.13 1fkj h ALA 64 N 1.59 1.07 -0.33 1.67 0.00 -1.67 -0.68 119.26 120.90 1fkj h ALA 64 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fkj h ALA 64 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1fkj h ALA 64 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.35 1fkj n GLN 65 N -3.19 2.16 -4.26 0.00 6.02 -0.90 -4.52 117.38 112.69 1fkj n GLN 65 Ca -0.03 -1.77 -0.31 0.00 -0.01 0.00 0.00 57.00 54.89 1fkj n GLN 65 Cb 0.09 -1.45 -0.09 0.00 1.02 0.00 0.00 30.24 29.81 1fkj n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fkj s MET 66 N -1.57 2.53 0.27 -1.09 -1.94 -0.26 -5.11 119.30 112.12 1fkj s MET 66 Ca 0.35 -0.79 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 1fkj s MET 66 Cb 0.20 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1fkj s MET 66 CO 0.28 0.57 0.20 -1.54 -0.01 0.00 0.00 175.02 174.52 1fkj s SER 67 N -1.91 5.43 0.16 3.03 1.04 -1.26 -4.18 113.70 116.01 1fkj s SER 67 Ca 0.22 -0.31 -0.33 0.00 0.48 0.00 0.00 55.95 56.00 1fkj s SER 67 Cb -0.11 -1.30 -0.13 0.00 0.10 0.00 0.00 66.02 64.57 1fkj s SER 67 CO 0.13 -0.09 1.67 0.52 0.98 0.00 0.00 173.24 176.46 1fkj n VAL 68 N -1.19 0.07 0.00 5.02 0.31 -0.59 -1.54 118.33 120.40 1fkj n VAL 68 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1fkj n VAL 68 Cb 0.58 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1fkj n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkj n GLY 69 N 3.75 0.88 3.77 2.92 0.00 0.34 -1.19 105.19 115.66 1fkj n GLY 69 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1fkj n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkj s GLN 70 N -0.87 3.99 -0.13 1.61 0.74 -0.59 -4.53 119.66 119.87 1fkj s GLN 70 Ca 0.00 1.70 0.02 0.00 0.05 0.00 0.00 55.36 57.13 1fkj s GLN 70 Cb 0.00 -2.53 0.01 0.00 1.10 0.00 0.00 33.01 31.59 1fkj s GLN 70 CO 0.00 -0.34 -0.20 0.50 -0.55 0.00 0.00 175.29 174.70 1fkj s ARG 71 N -2.51 2.80 0.06 1.67 3.52 -0.63 -1.06 118.95 122.78 1fkj s ARG 71 Ca 0.60 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1fkj s ARG 71 Cb -0.27 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1fkj s ARG 71 CO 0.33 -0.02 0.02 0.00 -0.81 0.00 0.00 175.30 174.81 1fkj s ALA 72 N 0.85 0.33 -0.21 6.12 0.00 0.02 -0.68 121.76 128.18 1fkj s ALA 72 Ca -0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1fkj s ALA 72 Cb -0.15 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1fkj s ALA 72 CO -0.02 -0.39 0.22 0.15 0.00 0.00 0.00 175.76 175.73 1fkj s LYS 73 N -3.77 4.14 -0.22 0.00 1.02 0.16 -0.85 119.74 120.22 1fkj s LYS 73 Ca 0.05 -0.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.86 1fkj s LYS 73 Cb 0.06 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1fkj s LYS 73 CO -0.10 0.10 0.06 -0.51 -0.92 0.00 0.00 175.35 173.99 1fkj s LEU 74 N 0.91 3.59 -0.21 3.17 1.43 0.75 -1.55 118.68 126.78 1fkj s LEU 74 Ca 0.11 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1fkj s LEU 74 Cb -0.13 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1fkj s LEU 74 CO 0.04 0.06 -0.00 -0.89 0.23 0.00 0.00 176.35 175.78 1fkj s THR 75 N 1.06 3.83 -0.14 5.49 2.01 -0.32 -1.01 115.64 126.56 1fkj s THR 75 Ca 0.04 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1fkj s THR 75 Cb -0.14 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1fkj s THR 75 CO 0.03 0.41 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.53 1fkj s ILE 76 N 1.23 2.07 0.66 1.82 1.01 0.33 -1.43 121.20 126.89 1fkj s ILE 76 Ca 0.03 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 1fkj s ILE 76 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1fkj s ILE 76 CO 0.01 0.55 1.16 -0.94 0.00 0.00 0.00 174.94 175.72 1fkj s SER 77 N 0.84 4.86 0.34 3.58 1.04 -0.82 -1.57 113.70 121.97 1fkj s SER 77 Ca -0.06 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.64 1fkj s SER 77 Cb -0.15 -2.57 0.77 0.00 0.10 0.00 0.00 66.02 64.16 1fkj s SER 77 CO -0.03 -1.81 1.86 -0.65 0.98 0.00 0.00 173.24 173.60 1fkj h PRO 78 N 0.15 0.72 0.00 4.02 0.11 -1.89 -0.22 132.00 134.89 1fkj h PRO 78 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1fkj h PRO 78 Cb 1.27 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1fkj h PRO 78 CO 0.53 0.48 -0.04 0.38 -0.21 0.00 0.00 178.00 179.14 1fkj h ASP 79 N 0.75 0.00 -0.72 -2.05 2.03 -1.91 0.22 116.42 114.74 1fkj h ASP 79 Ca 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1fkj h ASP 79 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1fkj h ASP 79 CO -0.22 0.04 0.00 -1.22 -1.03 0.00 0.00 179.24 176.81 1fkj n TYR 80 N -3.27 0.97 0.00 4.15 4.02 -0.10 -4.83 117.16 118.09 1fkj n TYR 80 Ca -0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 1fkj n TYR 80 Cb 0.20 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1fkj n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkj n ALA 81 N 1.60 0.00 -0.27 -0.72 0.00 -0.33 -1.79 120.51 118.99 1fkj n ALA 81 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1fkj n ALA 81 Cb 0.61 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.30 1fkj n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkj n TYR 82 N 0.00 0.74 -2.33 0.00 4.01 -1.13 -4.94 117.16 113.52 1fkj n TYR 82 Ca 0.00 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 1fkj n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1fkj n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkj n GLY 83 N 1.15 2.18 0.11 2.72 0.00 0.64 -1.24 105.19 110.74 1fkj n GLY 83 Ca 0.19 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1fkj n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkj n ALA 84 N 7.16 1.84 -0.06 4.61 0.00 -1.26 -0.99 120.51 131.81 1fkj n ALA 84 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 1fkj n ALA 84 Cb 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1fkj n ALA 84 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1fkj h THR 85 N 0.00 1.07 0.00 0.00 2.02 -1.83 -3.40 112.91 110.77 1fkj h THR 85 Ca 0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1fkj h THR 85 Cb 0.45 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1fkj h THR 85 CO 0.00 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1fkj n GLY 86 N 1.58 -1.81 3.06 2.16 0.00 -0.37 -3.89 105.19 105.92 1fkj n GLY 86 Ca -0.26 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 1fkj n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkj s HIS 87 N 0.00 1.91 -0.18 1.61 2.46 -0.39 -4.87 115.29 115.82 1fkj s HIS 87 Ca 0.00 -0.85 -0.36 0.00 0.47 0.00 0.00 55.06 54.32 1fkj s HIS 87 Cb 0.00 -1.37 -0.13 0.00 -0.13 0.00 0.00 32.58 30.95 1fkj s HIS 87 CO 0.00 -0.43 1.89 -0.35 -2.47 0.00 0.00 174.74 173.38 1fkj n PRO 88 N 4.06 1.74 -1.16 2.88 -0.04 -1.26 -1.20 135.00 140.02 1fkj n PRO 88 Ca -0.20 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1fkj n PRO 88 Cb 0.51 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1fkj n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkj n GLY 89 N 4.65 0.74 1.57 0.55 0.00 -1.26 -4.70 105.19 106.75 1fkj n GLY 89 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fkj n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkj n ILE 90 N -2.57 0.00 -4.69 -0.61 2.08 -0.42 -5.08 119.36 108.06 1fkj n ILE 90 Ca -0.06 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.93 1fkj n ILE 90 Cb 0.32 -0.92 -0.16 0.00 -0.75 0.00 0.00 39.64 38.13 1fkj n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1fkj s ILE 91 N -2.00 2.50 0.79 1.39 1.01 -0.34 -4.96 121.20 119.59 1fkj s ILE 91 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1fkj s ILE 91 Cb 0.00 -2.03 0.07 0.00 0.01 0.00 0.00 42.46 40.51 1fkj s ILE 91 CO 0.00 0.53 1.10 -2.16 0.00 0.00 0.00 174.94 174.41 1fkj s PRO 92 N 0.69 2.07 0.21 2.79 0.04 -1.26 -1.26 135.00 138.27 1fkj s PRO 92 Ca -0.08 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1fkj s PRO 92 Cb -0.16 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.35 1fkj s PRO 92 CO 0.02 -1.80 0.73 -2.30 0.04 0.00 0.00 177.00 173.69 1fkj n PRO 93 N -3.62 0.44 -3.24 0.56 -0.02 -1.25 -3.58 135.00 124.29 1fkj n PRO 93 Ca 0.10 0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1fkj n PRO 93 Cb 0.53 -1.32 0.05 0.00 -0.02 0.00 0.00 33.50 32.75 1fkj n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fkj n HIS 94 N 0.25 -2.21 -3.46 6.00 8.25 -0.16 -4.96 115.22 118.93 1fkj n HIS 94 Ca 0.16 0.71 -0.37 0.00 -0.26 0.00 0.00 57.72 57.95 1fkj n HIS 94 Cb 0.26 -4.40 -0.07 0.00 1.12 0.00 0.00 29.99 26.90 1fkj n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkj s ALA 95 N -3.21 3.57 0.10 -1.41 0.00 -1.23 -4.85 121.76 114.72 1fkj s ALA 95 Ca 0.41 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1fkj s ALA 95 Cb -0.18 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1fkj s ALA 95 CO 0.51 -0.13 1.03 0.99 0.00 0.00 0.00 175.76 178.16 1fkj s THR 96 N 0.94 4.37 -0.02 0.00 2.01 -1.26 -3.86 115.64 117.81 1fkj s THR 96 Ca 0.18 1.89 0.01 0.00 0.31 0.00 0.00 61.69 64.07 1fkj s THR 96 Cb -0.14 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1fkj s THR 96 CO 0.06 0.25 0.00 -0.76 -0.69 0.00 0.00 174.62 173.49 1fkj s LEU 97 N 0.24 3.53 -0.18 4.42 1.43 -0.61 -3.80 118.68 123.71 1fkj s LEU 97 Ca 0.50 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1fkj s LEU 97 Cb -0.25 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1fkj s LEU 97 CO 0.31 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 176.32 1fkj s VAL 98 N -1.04 2.27 -0.12 -1.59 1.01 -0.31 -0.51 120.40 120.11 1fkj s VAL 98 Ca 0.18 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1fkj s VAL 98 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1fkj s VAL 98 CO 0.08 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.22 1fkj s PHE 99 N 1.21 2.81 -0.46 5.22 0.40 -0.18 -0.71 117.98 126.27 1fkj s PHE 99 Ca 0.03 -0.56 -0.19 0.00 -0.60 0.00 0.00 56.93 55.60 1fkj s PHE 99 Cb -0.14 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.60 1fkj s PHE 99 CO -0.09 -0.15 0.59 0.34 0.70 0.00 0.00 175.22 176.60 1fkj s ASP 100 N 0.21 6.26 -0.04 1.36 -1.08 -0.14 -0.18 116.67 123.06 1fkj s ASP 100 Ca -0.08 -0.60 0.06 0.00 -0.52 0.00 0.00 52.55 51.41 1fkj s ASP 100 Cb -0.15 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1fkj s ASP 100 CO 0.05 -0.77 -0.23 -0.69 0.52 0.00 0.00 175.17 174.05 1fkj s VAL 101 N 2.60 2.24 -0.18 1.11 1.01 -0.03 -1.88 120.40 125.26 1fkj s VAL 101 Ca 0.18 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1fkj s VAL 101 Cb -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1fkj s VAL 101 CO 0.15 0.58 -0.20 -0.70 0.00 0.00 0.00 175.10 174.93 1fkj s GLU 102 N -0.45 2.98 -0.54 2.72 2.12 -0.29 -0.80 118.70 124.44 1fkj s GLU 102 Ca 0.05 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.33 1fkj s GLU 102 Cb -0.12 -2.56 0.05 0.00 0.26 0.00 0.00 34.13 31.77 1fkj s GLU 102 CO 0.01 -0.20 0.84 -1.17 -0.54 0.00 0.00 175.26 174.20 1fkj s LEU 103 N 1.27 4.40 -0.00 2.70 2.96 -0.23 -1.99 118.68 127.79 1fkj s LEU 103 Ca 0.04 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1fkj s LEU 103 Cb -0.13 -2.68 -0.33 0.00 0.50 0.00 0.00 46.19 43.55 1fkj s LEU 103 CO -0.12 -1.14 0.85 -0.07 -1.32 0.00 0.00 176.35 174.55 1fkj h LEU 104 N 10.60 0.70 -7.00 -0.68 3.38 -1.28 0.97 115.31 122.00 1fkj h LEU 104 Ca -0.27 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 56.92 1fkj h LEU 104 Cb 1.08 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1fkj h LEU 104 CO 1.06 1.72 0.47 -0.75 0.09 0.00 0.00 178.44 181.02 1fkj s LYS 105 N -2.59 0.85 -0.09 1.13 2.20 -1.17 -4.56 119.74 115.51 1fkj s LYS 105 Ca -0.12 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1fkj s LYS 105 Cb 0.05 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1fkj s LYS 105 CO 0.90 -0.37 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.81 1fkj s LEU 106 N -2.45 1.95 0.00 5.43 1.43 -1.26 -1.29 118.68 122.49 1fkj s LEU 106 Ca 0.04 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1fkj s LEU 106 Cb -0.01 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 45.00 1fkj s LEU 106 CO -0.09 0.11 0.62 -0.62 0.23 0.00 0.00 176.35 176.60