#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku n LEU 2 N 0.00 2.14 0.00 0.99 4.77 -1.26 -4.61 117.00 119.04 3fku n LEU 2 Ca 0.00 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 3fku n LEU 2 Cb 0.00 -0.75 0.23 0.00 -2.33 0.00 0.00 43.42 40.58 3fku n LEU 2 CO 0.00 0.64 0.66 0.49 -1.33 0.00 0.00 177.39 177.85 3fku n PHE 3 N -3.79 0.00 -3.00 -1.77 3.01 -1.26 -4.89 117.46 105.76 3fku n PHE 3 Ca -0.46 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 57.88 3fku n PHE 3 Cb 0.87 -0.47 0.04 0.00 -0.01 0.00 0.00 39.48 39.91 3fku n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fku n GLY 4 N -0.39 0.18 0.90 1.37 0.00 -1.26 -4.94 105.19 101.04 3fku n GLY 4 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3fku n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku n ALA 5 N -3.63 2.67 -1.91 4.61 0.00 -1.26 -3.74 120.51 117.25 3fku n ALA 5 Ca -0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3fku n ALA 5 Cb 0.53 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 3fku n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fku s ILE 6 N -1.95 3.66 -1.49 0.00 1.01 -1.26 -2.19 121.20 118.98 3fku s ILE 6 Ca -0.04 1.53 -0.03 0.00 0.00 0.00 0.00 60.65 62.12 3fku s ILE 6 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.52 3fku s ILE 6 CO 0.05 0.31 0.35 0.00 0.00 0.00 0.00 174.94 175.66 3fku n ALA 7 N 1.81 -1.91 -2.47 9.38 0.00 -1.24 -3.84 120.51 122.24 3fku n ALA 7 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3fku n ALA 7 Cb 0.45 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3fku n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fku n GLY 8 N -2.06 4.12 0.25 0.00 0.00 -0.93 -4.88 105.19 101.69 3fku n GLY 8 Ca -0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 3fku n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3fku h PHE 9 N 0.00 0.49 -3.69 1.61 -5.15 -1.63 -3.35 116.94 105.22 3fku h PHE 9 Ca 0.00 -0.07 -0.57 0.00 -0.20 0.00 0.00 57.97 57.12 3fku h PHE 9 Cb 0.00 -0.13 -0.08 0.00 0.22 0.00 0.00 35.95 35.96 3fku h PHE 9 CO 0.00 0.57 0.80 0.42 -2.00 0.00 0.00 178.31 178.10 3fku s ILE 10 N -4.73 4.31 -0.75 0.88 1.01 -1.04 -4.07 121.20 116.81 3fku s ILE 10 Ca -0.07 1.07 -0.26 0.00 0.00 0.00 0.00 60.65 61.39 3fku s ILE 10 Cb 0.15 -4.54 0.03 0.00 0.01 0.00 0.00 42.46 38.11 3fku s ILE 10 CO 0.77 -0.94 1.26 -1.61 0.00 0.00 0.00 174.94 174.43 3fku s GLU 11 N 4.19 3.21 2.50 2.79 0.41 -1.26 -3.72 118.70 126.82 3fku s GLU 11 Ca 0.44 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 3fku s GLU 11 Cb -0.08 -4.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 3fku s GLU 11 CO 0.29 -2.13 0.00 0.41 -0.49 0.00 0.00 175.26 173.35 3fku n GLY 12 N 5.46 0.07 3.28 -1.39 0.00 -1.26 -4.99 105.19 106.36 3fku n GLY 12 Ca 0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 3fku n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 13 N -4.89 2.23 -0.23 -0.02 0.00 -1.26 -4.78 107.32 98.37 3fku s GLY 13 Ca 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 44.72 42.63 3fku s GLY 13 CO 0.00 -1.47 0.07 -0.98 0.00 0.00 0.00 173.10 170.72 3fku s TRP 14 N -3.53 3.12 0.15 1.90 0.51 -1.26 -4.97 118.94 114.85 3fku s TRP 14 Ca 0.40 -0.29 -0.14 0.00 -2.12 0.00 0.00 56.10 53.96 3fku s TRP 14 Cb 0.03 -2.20 0.02 0.00 -0.81 0.00 0.00 33.47 30.51 3fku s TRP 14 CO 0.26 -0.23 1.65 1.96 -0.51 0.00 0.00 176.95 180.08 3fku h GLN 15 N 7.84 0.77 0.00 4.98 1.08 -2.04 -3.33 115.11 124.41 3fku h GLN 15 Ca -0.37 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 3fku h GLN 15 Cb 1.18 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3fku h GLN 15 CO 0.60 0.75 0.00 0.41 -0.95 0.00 0.00 178.83 179.65 3fku n GLY 16 N -0.60 -1.32 3.61 3.46 0.00 -1.26 -4.48 105.19 104.60 3fku n GLY 16 Ca 0.01 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3fku n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fku s MET 17 N -3.07 3.92 -0.04 1.61 -2.45 -1.25 -4.84 119.30 113.19 3fku s MET 17 Ca 0.09 0.47 0.07 0.00 -1.25 0.00 0.00 55.69 55.07 3fku s MET 17 Cb 0.13 -3.73 -0.10 0.00 1.25 0.00 0.00 34.83 32.37 3fku s MET 17 CO 0.42 -0.66 0.11 1.33 1.05 0.00 0.00 175.02 177.27 3fku n VAL 18 N 5.51 0.20 -0.16 10.11 0.24 -1.26 -4.76 118.33 128.20 3fku n VAL 18 Ca 0.02 -0.23 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 3fku n VAL 18 Cb 0.48 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3fku n VAL 18 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3fku h ASP 19 N 0.00 0.77 -1.97 -1.34 3.32 -1.98 -3.48 116.42 111.75 3fku h ASP 19 Ca -0.08 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 3fku h ASP 19 Cb 0.80 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3fku h ASP 19 CO 0.00 0.86 0.02 0.61 -1.72 0.00 0.00 179.24 179.02 3fku n GLY 20 N -0.46 2.25 0.12 2.75 0.00 -1.26 -5.06 105.19 103.53 3fku n GLY 20 Ca 0.01 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 3fku n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fku h TRP 21 N 1.31 0.48 -3.99 1.61 6.55 -1.91 -3.46 115.95 116.54 3fku h TRP 21 Ca -0.09 -0.31 -0.37 0.00 0.95 0.00 0.00 58.89 59.07 3fku h TRP 21 Cb 0.38 -0.04 -0.26 0.00 -0.86 0.00 0.00 29.16 28.38 3fku h TRP 21 CO 0.00 1.18 -0.77 0.71 -1.05 0.00 0.00 178.44 178.52 3fku s TYR 22 N -2.92 0.82 0.00 0.49 1.51 -1.26 -5.08 117.35 110.90 3fku s TYR 22 Ca -0.04 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3fku s TYR 22 Cb 0.08 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.43 3fku s TYR 22 CO 0.87 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.70 3fku n GLY 23 N 2.31 2.44 3.33 0.71 0.00 -1.26 0.15 105.19 112.87 3fku n GLY 23 Ca -0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 3fku n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fku s TYR 24 N -1.25 1.56 -0.05 1.61 1.51 -1.20 -4.84 117.35 114.69 3fku s TYR 24 Ca 0.00 -1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 54.97 3fku s TYR 24 Cb 0.00 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3fku s TYR 24 CO 0.00 -0.21 0.10 -1.58 -1.11 0.00 0.00 175.55 172.75 3fku s HIS 25 N -3.61 -0.06 0.49 2.71 2.46 -1.26 -2.79 115.29 113.23 3fku s HIS 25 Ca 0.34 0.36 0.08 0.00 0.47 0.00 0.00 55.06 56.31 3fku s HIS 25 Cb 0.07 -0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.30 3fku s HIS 25 CO 0.12 -0.17 0.58 -3.38 -2.47 0.00 0.00 174.74 169.41 3fku s HIS 26 N 1.64 2.12 -0.30 3.88 -3.43 -1.13 -4.96 115.29 113.11 3fku s HIS 26 Ca -0.03 -0.60 -0.11 0.00 -0.80 0.00 0.00 55.06 53.52 3fku s HIS 26 Cb -0.12 -2.20 0.15 0.00 -1.43 0.00 0.00 32.58 28.97 3fku s HIS 26 CO -0.04 -0.61 0.75 0.45 -2.00 0.00 0.00 174.74 173.28 3fku s SER 27 N -4.40 -0.99 0.38 7.38 0.15 -1.26 -3.73 113.70 111.23 3fku s SER 27 Ca 0.53 1.26 -0.12 0.00 0.70 0.00 0.00 55.95 58.32 3fku s SER 27 Cb -0.06 2.09 0.05 0.00 -1.71 0.00 0.00 66.02 66.39 3fku s SER 27 CO 0.32 -0.19 0.71 -0.46 1.20 0.00 0.00 173.24 174.82 3fku n ASN 28 N 5.32 -2.06 -0.27 5.45 6.94 -1.03 -5.01 115.26 124.60 3fku n ASN 28 Ca -0.10 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 51.81 3fku n ASN 28 Cb 0.50 3.49 0.00 0.00 -2.36 0.00 0.00 39.78 41.42 3fku n ASN 28 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3fku n GLU 29 N -0.54 0.26 0.00 -3.83 -0.58 -1.26 -3.75 120.64 110.94 3fku n GLU 29 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3fku n GLU 29 Cb 0.59 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 3fku n GLU 29 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fku n GLN 30 N -0.03 0.00 -4.49 3.49 10.64 -1.26 -5.13 117.38 120.60 3fku n GLN 30 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 3fku n GLN 30 Cb 0.03 -0.03 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 3fku n GLN 30 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3fku s GLY 31 N -4.17 2.00 -0.00 2.61 0.00 -1.25 -5.11 107.32 101.39 3fku s GLY 31 Ca 0.00 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 3fku s GLY 31 CO 0.00 -1.99 0.72 -0.45 0.00 0.00 0.00 173.10 171.38 3fku s SER 32 N -3.55 -0.57 0.00 1.64 0.15 -1.26 -2.48 113.70 107.63 3fku s SER 32 Ca 0.31 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.38 3fku s SER 32 Cb -0.02 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3fku s SER 32 CO 0.16 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.54 3fku n GLY 33 N 0.44 0.85 3.87 9.45 0.00 -1.24 -4.97 105.19 113.59 3fku n GLY 33 Ca -0.16 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 3fku n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fku s TYR 34 N -1.20 3.59 -0.35 1.61 1.51 -1.26 -2.83 117.35 118.42 3fku s TYR 34 Ca 0.00 0.74 0.04 0.00 -1.01 0.00 0.00 57.07 56.84 3fku s TYR 34 Cb 0.00 -2.11 0.16 0.00 -0.11 0.00 0.00 41.96 39.90 3fku s TYR 34 CO 0.00 0.56 0.46 0.00 -1.11 0.00 0.00 175.55 175.46 3fku s ALA 35 N -1.34 -1.22 1.02 3.71 0.00 -1.12 -5.03 121.76 117.79 3fku s ALA 35 Ca 0.30 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 3fku s ALA 35 Cb -0.14 -2.26 0.11 0.00 0.00 0.00 0.00 23.12 20.84 3fku s ALA 35 CO 0.17 -2.04 0.52 0.00 0.00 0.00 0.00 175.76 174.41 3fku n ALA 36 N 4.65 -2.75 -3.27 0.00 0.00 -1.26 -3.22 120.51 114.66 3fku n ALA 36 Ca 0.08 -0.87 -0.46 0.00 0.00 0.00 0.00 53.44 52.19 3fku n ALA 36 Cb 0.50 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 3fku n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fku s ASP 37 N -2.14 6.99 0.18 0.00 3.68 0.12 -4.80 116.67 120.70 3fku s ASP 37 Ca 0.60 -3.01 0.13 0.00 2.13 0.00 0.00 52.55 52.41 3fku s ASP 37 Cb -0.20 -2.24 0.68 0.00 -1.45 0.00 0.00 42.92 39.72 3fku s ASP 37 CO 0.65 -0.52 1.40 0.29 0.13 0.00 0.00 175.17 177.13 3fku n LYS 38 N 3.81 0.08 -0.04 4.34 4.01 -1.26 -2.15 118.16 126.95 3fku n LYS 38 Ca 0.20 0.55 -0.03 0.00 -0.51 0.00 0.00 58.31 58.52 3fku n LYS 38 Cb 0.44 -1.76 -0.02 0.00 -0.51 0.00 0.00 35.03 33.18 3fku n LYS 38 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3fku h GLU 39 N 0.00 -0.03 0.11 1.97 4.81 -1.94 -3.21 114.58 116.29 3fku h GLU 39 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3fku h GLU 39 Cb 0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3fku h GLU 39 CO 0.00 0.15 -0.05 0.66 -0.73 0.00 0.00 179.01 179.04 3fku h SER 40 N -1.00 -0.12 -1.00 1.04 4.64 -1.89 -3.03 113.55 112.18 3fku h SER 40 Ca -0.00 -0.44 0.39 0.00 -0.47 0.00 0.00 61.79 61.27 3fku h SER 40 Cb 0.19 0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 62.13 3fku h SER 40 CO 0.00 0.50 0.48 0.74 -0.87 0.00 0.00 176.83 177.68 3fku h THR 41 N -0.88 0.02 0.08 2.95 2.02 -1.64 0.87 112.91 116.33 3fku h THR 41 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3fku h THR 41 Cb 0.55 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3fku h THR 41 CO 0.02 0.00 -0.04 -0.61 0.37 0.00 0.00 175.52 175.27 3fku h GLN 42 N 0.02 -0.11 -0.55 6.66 5.75 -1.55 -1.99 115.11 123.34 3fku h GLN 42 Ca 0.81 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 59.27 3fku h GLN 42 Cb 2.08 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 30.63 3fku h GLN 42 CO -0.78 -0.06 0.16 -0.22 -2.65 0.00 0.00 178.83 175.29 3fku h LYS 43 N -0.12 0.82 0.90 1.69 3.64 0.82 -1.76 116.57 122.56 3fku h LYS 43 Ca -0.01 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 3fku h LYS 43 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3fku h LYS 43 CO 0.02 0.72 -0.49 0.00 -2.27 0.00 0.00 179.45 177.43 3fku h ALA 44 N 1.38 -1.31 -0.89 5.00 0.00 -1.10 -2.69 119.26 119.65 3fku h ALA 44 Ca 0.18 -0.27 0.24 0.00 0.00 0.00 0.00 54.91 55.06 3fku h ALA 44 Cb 0.24 0.56 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 3fku h ALA 44 CO -0.01 -1.24 0.23 0.82 0.00 0.00 0.00 179.25 179.05 3fku h ILE 45 N -1.28 0.28 -0.36 0.00 2.04 -1.05 0.26 117.51 117.40 3fku h ILE 45 Ca -0.12 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.73 3fku h ILE 45 Cb 1.00 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3fku h ILE 45 CO 0.17 0.03 0.04 0.44 0.00 0.00 0.00 178.15 178.84 3fku h ASP 46 N 0.18 -0.05 -0.96 1.72 3.32 -1.22 0.42 116.42 119.83 3fku h ASP 46 Ca 0.56 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.77 3fku h ASP 46 Cb 1.16 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 3fku h ASP 46 CO -0.68 0.01 0.62 1.23 -1.72 0.00 0.00 179.24 178.69 3fku h GLY 47 N 0.16 1.44 0.27 2.75 0.00 -0.16 0.93 103.07 108.46 3fku h GLY 47 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3fku h GLY 47 CO -0.26 0.27 -0.13 -2.08 0.00 0.00 0.00 176.54 174.34 3fku h VAL 48 N 1.04 0.00 -0.72 4.60 2.07 -0.94 -2.43 116.25 119.88 3fku h VAL 48 Ca 0.43 -0.56 0.18 0.00 0.82 0.00 0.00 66.70 67.57 3fku h VAL 48 Cb 0.29 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.92 3fku h VAL 48 CO -0.18 0.00 -0.03 0.41 0.02 0.00 0.00 177.57 177.79 3fku n THR 49 N -4.56 -0.30 -0.12 2.57 -1.04 0.14 0.10 114.28 111.08 3fku n THR 49 Ca -0.05 1.59 -0.13 0.00 -2.04 0.00 0.00 64.05 63.43 3fku n THR 49 Cb 0.15 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.33 3fku n THR 49 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3fku h ASN 50 N 0.00 0.88 -0.18 8.00 -0.73 -0.87 -2.59 115.58 120.09 3fku h ASN 50 Ca 0.41 -0.44 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 3fku h ASN 50 Cb 0.81 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 3fku h ASN 50 CO -0.69 1.13 0.10 0.50 -0.37 0.00 0.00 177.43 178.11 3fku h LYS 51 N 0.63 0.24 0.13 6.67 3.64 0.12 -0.10 116.57 127.90 3fku h LYS 51 Ca 0.07 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3fku h LYS 51 Cb 0.85 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3fku h LYS 51 CO 0.07 0.22 -0.24 0.28 -2.27 0.00 0.00 179.45 177.52 3fku h VAL 52 N 0.19 0.48 0.00 2.00 2.07 -1.05 0.05 116.25 119.98 3fku h VAL 52 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3fku h VAL 52 Cb 0.04 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3fku h VAL 52 CO -0.01 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.17 3fku n ASN 53 N -5.36 0.00 -0.07 0.57 5.03 -0.98 -1.44 115.26 113.01 3fku n ASN 53 Ca -0.07 0.09 -0.15 0.00 0.87 0.00 0.00 54.58 55.32 3fku n ASN 53 Cb 0.27 -0.22 -0.14 0.00 -1.02 0.00 0.00 39.78 38.67 3fku n ASN 53 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3fku n SER 54 N -1.22 1.32 -0.03 6.41 2.88 -0.06 -3.84 113.62 119.07 3fku n SER 54 Ca 0.04 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 3fku n SER 54 Cb 0.05 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 3fku n SER 54 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3fku h ILE 55 N 0.02 1.37 -0.75 2.46 2.04 -0.56 -3.27 117.51 118.82 3fku h ILE 55 Ca -0.49 -1.72 0.17 0.00 1.00 0.00 0.00 64.86 63.82 3fku h ILE 55 Cb 2.04 2.46 -0.13 0.00 -0.74 0.00 0.00 36.82 40.44 3fku h ILE 55 CO 0.01 0.41 -0.02 0.40 0.00 0.00 0.00 178.15 178.95 3fku h ILE 56 N -0.86 0.33 0.00 -0.67 2.04 -1.47 0.45 117.51 117.33 3fku h ILE 56 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3fku h ILE 56 Cb 0.71 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3fku h ILE 56 CO 0.01 0.02 0.00 0.44 0.00 0.00 0.00 178.15 178.61 3fku h ASP 57 N 0.09 0.00 1.78 1.72 3.45 -1.67 -2.14 116.42 119.65 3fku h ASP 57 Ca 0.40 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.83 3fku h ASP 57 Cb 0.70 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3fku h ASP 57 CO -0.68 0.00 -0.16 0.11 -1.57 0.00 0.00 179.24 176.95 3fku h LYS 58 N 0.00 0.00 -1.07 3.56 6.56 -0.96 -3.30 116.57 121.36 3fku h LYS 58 Ca 0.00 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.92 3fku h LYS 58 Cb 0.36 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 31.70 3fku h LYS 58 CO 0.00 0.16 0.61 -1.33 -2.06 0.00 0.00 179.45 176.83 3fku n MET 59 N -3.15 2.85 -0.10 3.15 2.81 -0.81 -4.05 117.12 117.83 3fku n MET 59 Ca 0.03 -3.47 -0.15 0.00 -1.81 0.00 0.00 57.70 52.30 3fku n MET 59 Cb 0.58 -2.29 -0.09 0.00 -0.71 0.00 0.00 33.22 30.72 3fku n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3fku n ASN 60 N -0.84 2.28 -0.97 7.83 5.03 -1.24 -4.43 115.26 122.92 3fku n ASN 60 Ca 0.59 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 56.00 3fku n ASN 60 Cb 0.67 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 3fku n ASN 60 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3fku n THR 61 N -3.24 0.82 -2.06 3.41 -2.24 -1.26 -4.88 114.28 104.83 3fku n THR 61 Ca -0.36 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 3fku n THR 61 Cb 0.86 -0.91 0.06 0.00 -2.10 0.00 0.00 70.33 68.24 3fku n THR 61 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3fku s GLN 62 N 0.04 2.46 0.02 -0.78 0.74 -1.26 -5.02 119.66 115.87 3fku s GLN 62 Ca 0.00 0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 3fku s GLN 62 Cb 0.00 -2.09 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 3fku s GLN 62 CO 0.00 -1.17 0.94 0.12 -0.55 0.00 0.00 175.29 174.63 3fku s PHE 63 N -3.32 3.69 0.53 1.67 5.36 -1.26 -5.06 117.98 119.59 3fku s PHE 63 Ca 0.59 1.68 -0.05 0.00 -0.96 0.00 0.00 56.93 58.19 3fku s PHE 63 Cb -0.11 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.50 3fku s PHE 63 CO 0.48 0.06 0.82 -1.21 -1.46 0.00 0.00 175.22 173.91 3fku s GLU 64 N 0.72 3.15 -0.35 10.12 0.41 -1.26 -5.09 118.70 126.39 3fku s GLU 64 Ca 0.49 -0.02 0.01 0.00 -0.41 0.00 0.00 54.97 55.05 3fku s GLU 64 Cb -0.21 -2.35 0.14 0.00 -1.78 0.00 0.00 34.13 29.93 3fku s GLU 64 CO 0.27 -0.47 0.30 0.00 -0.49 0.00 0.00 175.26 174.88 3fku s ALA 65 N -2.84 0.09 0.61 5.21 0.00 -1.26 -5.14 121.76 118.43 3fku s ALA 65 Ca 0.51 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 3fku s ALA 65 Cb -0.10 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3fku s ALA 65 CO 0.44 -2.06 1.11 0.14 0.00 0.00 0.00 175.76 175.39 3fku s VAL 66 N 1.44 3.30 0.08 0.00 -7.23 -1.26 -5.02 120.40 111.71 3fku s VAL 66 Ca 0.16 0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 3fku s VAL 66 Cb -0.18 -3.21 -0.07 0.00 0.56 0.00 0.00 36.38 33.49 3fku s VAL 66 CO -0.07 -0.30 0.60 -0.83 -0.31 0.00 0.00 175.10 174.20 3fku s GLY 67 N -2.30 2.71 -0.01 2.32 0.00 -1.26 -5.08 107.32 103.70 3fku s GLY 67 Ca 0.69 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.51 3fku s GLY 67 CO 0.35 0.55 -0.05 0.50 0.00 0.00 0.00 173.10 174.45 3fku s ARG 68 N -1.05 0.46 -0.13 2.90 0.52 -1.26 -5.14 118.95 115.25 3fku s ARG 68 Ca 0.30 -0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 3fku s ARG 68 Cb -0.20 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 3fku s ARG 68 CO 0.20 0.06 0.01 -2.00 0.02 0.00 0.00 175.30 173.59 3fku s GLU 69 N 0.14 3.46 0.24 3.54 2.56 -1.26 -5.10 118.70 122.27 3fku s GLU 69 Ca -0.01 -0.42 0.07 0.00 0.00 0.00 0.00 54.97 54.61 3fku s GLU 69 Cb -0.05 -2.94 -0.05 0.00 2.00 0.00 0.00 34.13 33.09 3fku s GLU 69 CO -0.00 0.45 -0.11 -0.06 -0.56 0.00 0.00 175.26 174.98 3fku s PHE 70 N -0.19 1.80 0.62 5.30 0.40 -1.26 -5.10 117.98 119.55 3fku s PHE 70 Ca 0.05 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 55.71 3fku s PHE 70 Cb -0.12 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.52 3fku s PHE 70 CO 0.02 0.32 0.91 1.21 0.70 0.00 0.00 175.22 178.38 3fku s ASN 71 N -3.37 5.26 0.50 1.36 3.04 -1.26 -4.99 114.94 115.49 3fku s ASN 71 Ca 0.25 0.48 0.29 0.00 0.04 0.00 0.00 52.86 53.93 3fku s ASN 71 Cb 0.01 -1.34 0.96 0.00 -1.54 0.00 0.00 41.25 39.35 3fku s ASN 71 CO 0.09 -1.26 1.84 -1.13 -3.04 0.00 0.00 177.10 173.60 3fku h ASN 72 N -0.27 0.00 -0.22 -4.21 -0.00 -2.01 -2.91 115.58 105.96 3fku h ASN 72 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 55.85 3fku h ASN 72 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.60 3fku h ASN 72 CO 0.59 0.00 -0.00 0.18 -0.00 0.00 0.00 177.43 178.20 3fku n LEU 73 N -3.07 3.67 -1.98 0.34 4.77 -1.26 -4.15 117.00 115.32 3fku n LEU 73 Ca 0.02 -3.06 -0.23 0.00 -0.03 0.00 0.00 56.01 52.71 3fku n LEU 73 Cb 0.39 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3fku n LEU 73 CO 0.30 0.70 0.21 -0.62 -1.33 0.00 0.00 177.39 176.64 3fku n GLU 74 N -0.67 3.53 0.25 3.23 1.02 -1.10 -4.84 120.64 122.06 3fku n GLU 74 Ca 0.21 -4.13 0.11 0.00 -0.02 0.00 0.00 57.16 53.33 3fku n GLU 74 Cb 0.86 -2.26 0.65 0.00 -0.02 0.00 0.00 31.44 30.68 3fku n GLU 74 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3fku h ARG 75 N 2.14 0.00 0.00 3.49 9.65 -1.72 -1.81 114.38 126.12 3fku h ARG 75 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3fku h ARG 75 Cb 1.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 3fku h ARG 75 CO 0.75 0.16 -1.88 2.89 2.80 0.00 0.00 179.97 184.69 3fku n ARG 76 N -3.74 0.62 0.10 0.20 1.85 -1.26 -3.25 116.66 111.18 3fku n ARG 76 Ca -0.02 -0.17 0.04 0.00 -1.00 0.00 0.00 57.85 56.71 3fku n ARG 76 Cb 0.27 -1.54 -0.01 0.00 -1.05 0.00 0.00 32.46 30.13 3fku n ARG 76 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 3fku h ILE 77 N 0.00 0.45 -0.27 8.89 3.07 -1.95 -2.39 117.51 125.32 3fku h ILE 77 Ca 0.00 -1.74 0.08 0.00 1.55 0.00 0.00 64.86 64.75 3fku h ILE 77 Cb 0.97 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 3fku h ILE 77 CO 0.00 0.26 0.25 -0.08 -1.05 0.00 0.00 178.15 177.53 3fku h GLU 78 N 0.00 0.00 0.06 0.16 4.81 -1.41 -2.13 114.58 116.07 3fku h GLU 78 Ca -0.06 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.85 3fku h GLU 78 Cb 1.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3fku h GLU 78 CO 0.04 0.00 -1.76 -1.71 -0.73 0.00 0.00 179.01 174.85 3fku n ASN 79 N -3.96 2.01 -0.34 1.04 5.15 -1.19 -2.46 115.26 115.51 3fku n ASN 79 Ca 0.04 0.29 0.09 0.00 -0.60 0.00 0.00 54.58 54.39 3fku n ASN 79 Cb 0.40 -0.88 0.28 0.00 -0.53 0.00 0.00 39.78 39.05 3fku n ASN 79 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3fku h LEU 80 N -0.41 0.85 0.45 1.20 6.46 -1.32 0.28 115.31 122.81 3fku h LEU 80 Ca -0.42 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.37 3fku h LEU 80 Cb 1.72 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.54 3fku h LEU 80 CO -0.07 0.42 -0.22 -1.13 -0.62 0.00 0.00 178.44 176.83 3fku h ASN 81 N 0.89 -0.51 -0.92 1.25 -1.24 -1.54 -2.47 115.58 111.05 3fku h ASN 81 Ca 0.50 -0.09 0.20 0.00 0.71 0.00 0.00 56.30 57.62 3fku h ASN 81 Cb 0.60 0.13 -0.11 0.00 0.73 0.00 0.00 38.32 39.67 3fku h ASN 81 CO -0.27 -0.19 0.47 0.50 -1.29 0.00 0.00 177.43 176.65 3fku h LYS 82 N -0.86 0.52 0.00 6.67 1.63 -0.98 -1.03 116.57 122.52 3fku h LYS 82 Ca -0.06 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 3fku h LYS 82 Cb 0.57 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3fku h LYS 82 CO 0.10 0.35 -0.13 0.87 -3.45 0.00 0.00 179.45 177.19 3fku h LYS 83 N 0.54 0.00 0.08 1.90 1.79 -0.50 -2.04 116.57 118.33 3fku h LYS 83 Ca 0.55 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.02 3fku h LYS 83 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3fku h LYS 83 CO -0.46 0.13 -0.04 1.98 -1.08 0.00 0.00 179.45 179.99 3fku h MET 84 N 0.00 -0.10 -0.43 3.15 4.05 -0.73 -3.04 114.93 117.83 3fku h MET 84 Ca -0.00 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 3fku h MET 84 Cb 1.04 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 3fku h MET 84 CO 0.02 0.40 0.29 0.93 0.23 0.00 0.00 176.91 178.78 3fku h GLU 85 N -0.93 0.28 -0.91 0.39 5.08 -1.36 0.35 114.58 117.49 3fku h GLU 85 Ca -0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3fku h GLU 85 Cb 0.55 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 3fku h GLU 85 CO 0.02 0.19 0.13 -0.25 -1.00 0.00 0.00 179.01 178.09 3fku n ASP 86 N -4.47 3.10 -0.00 1.42 10.43 -0.77 -3.24 116.55 123.02 3fku n ASP 86 Ca 0.06 -2.51 -0.01 0.00 2.57 0.00 0.00 54.79 54.91 3fku n ASP 86 Cb 0.29 -0.61 -0.00 0.00 1.84 0.00 0.00 41.12 42.64 3fku n ASP 86 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fku n GLY 87 N 0.05 -0.01 0.18 0.44 0.00 0.12 -4.39 105.19 101.58 3fku n GLY 87 Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3fku n GLY 87 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fku h PHE 88 N 0.00 0.74 0.00 1.61 -1.00 -1.62 -2.38 116.94 114.29 3fku h PHE 88 Ca -0.02 -0.37 -0.05 0.00 2.81 0.00 0.00 57.97 60.34 3fku h PHE 88 Cb 1.03 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 3fku h PHE 88 CO 0.00 1.18 -0.21 -0.07 -1.61 0.00 0.00 178.31 177.60 3fku h LEU 89 N 0.31 0.00 0.05 1.54 3.38 -1.82 0.43 115.31 119.20 3fku h LEU 89 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3fku h LEU 89 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3fku h LEU 89 CO 0.16 0.21 -0.02 0.44 0.09 0.00 0.00 178.44 179.32 3fku h ASP 90 N 0.00 -0.05 0.00 -0.43 3.32 -1.76 -2.94 116.42 114.55 3fku h ASP 90 Ca -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.45 3fku h ASP 90 Cb 0.44 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3fku h ASP 90 CO 0.03 0.62 -0.07 0.58 -1.72 0.00 0.00 179.24 178.68 3fku h VAL 91 N -0.79 0.00 -0.92 -1.35 2.07 -1.07 0.20 116.25 114.39 3fku h VAL 91 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3fku h VAL 91 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3fku h VAL 91 CO 0.01 0.00 0.59 -0.50 0.02 0.00 0.00 177.57 177.69 3fku h TRP 92 N -0.09 0.83 0.40 1.57 4.06 -0.33 0.75 115.95 123.13 3fku h TRP 92 Ca 0.00 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 3fku h TRP 92 Cb 0.10 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 3fku h TRP 92 CO -0.37 0.26 -0.51 1.15 -3.56 0.00 0.00 178.44 175.41 3fku h THR 93 N 0.66 0.02 0.02 1.49 2.02 -1.36 -0.39 112.91 115.37 3fku h THR 93 Ca 0.48 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.68 3fku h THR 93 Cb 0.84 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3fku h THR 93 CO -0.24 0.00 -0.14 0.22 0.37 0.00 0.00 175.52 175.73 3fku h TYR 94 N -0.94 -0.37 -0.90 3.16 3.20 0.30 -1.02 116.97 120.41 3fku h TYR 94 Ca -0.05 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.01 3fku h TYR 94 Cb 0.84 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 3fku h TYR 94 CO -0.31 -0.21 0.58 -0.91 -1.64 0.00 0.00 178.16 175.67 3fku h ASN 95 N -0.25 0.55 0.21 -2.11 -0.26 0.30 -0.85 115.58 113.16 3fku h ASN 95 Ca 0.04 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3fku h ASN 95 Cb 0.30 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 3fku h ASN 95 CO -0.12 0.25 -0.10 0.00 -1.06 0.00 0.00 177.43 176.39 3fku h ALA 96 N 1.61 -0.42 -1.00 -0.83 0.00 -0.55 -2.58 119.26 115.49 3fku h ALA 96 Ca 0.47 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.41 3fku h ALA 96 Cb 0.93 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3fku h ALA 96 CO -0.21 -0.40 -0.56 0.93 0.00 0.00 0.00 179.25 179.02 3fku h GLU 97 N -0.67 -0.00 0.00 0.00 5.08 -0.98 0.12 114.58 118.14 3fku h GLU 97 Ca -0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3fku h GLU 97 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fku h GLU 97 CO 0.05 -0.00 -0.27 1.25 -1.00 0.00 0.00 179.01 179.04 3fku h LEU 98 N -0.00 0.00 0.03 1.33 6.46 -1.31 -1.14 115.31 120.68 3fku h LEU 98 Ca 0.19 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3fku h LEU 98 Cb 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 3fku h LEU 98 CO -0.95 0.27 -0.01 0.25 -0.62 0.00 0.00 178.44 177.38 3fku h LEU 99 N 0.00 -0.03 0.51 2.25 5.85 -0.39 -2.57 115.31 120.93 3fku h LEU 99 Ca -0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3fku h LEU 99 Cb 0.50 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3fku h LEU 99 CO 0.03 0.00 -0.33 0.58 -0.34 0.00 0.00 178.44 178.39 3fku h VAL 100 N -0.06 0.33 -0.97 1.05 2.07 -0.28 -1.02 116.25 117.36 3fku h VAL 100 Ca -0.00 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 3fku h VAL 100 Cb 0.05 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 3fku h VAL 100 CO 0.01 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.14 3fku h LEU 101 N -0.80 0.72 0.00 2.57 4.07 -1.23 0.77 115.31 121.41 3fku h LEU 101 Ca -0.06 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3fku h LEU 101 Cb 0.66 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3fku h LEU 101 CO 0.05 0.30 -0.32 0.24 -1.08 0.00 0.00 178.44 177.64 3fku h MET 102 N 0.73 0.00 0.00 1.13 2.86 -1.28 -3.13 114.93 115.24 3fku h MET 102 Ca 0.53 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.16 3fku h MET 102 Cb 0.86 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 3fku h MET 102 CO -0.30 0.00 -1.81 0.39 1.06 0.00 0.00 176.91 176.25 3fku n GLU 103 N -2.60 0.55 0.38 1.72 -0.58 0.65 -3.06 120.64 117.70 3fku n GLU 103 Ca 0.04 -0.16 -0.18 0.00 -0.42 0.00 0.00 57.16 56.44 3fku n GLU 103 Cb 0.49 -1.42 -0.09 0.00 -0.57 0.00 0.00 31.44 29.85 3fku n GLU 103 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3fku h ASN 104 N 0.00 -0.80 -0.93 1.62 4.21 0.24 -2.44 115.58 117.48 3fku h ASN 104 Ca -0.01 0.02 0.15 0.00 1.21 0.00 0.00 56.30 57.67 3fku h ASN 104 Cb 0.83 0.21 -0.09 0.00 -1.12 0.00 0.00 38.32 38.14 3fku h ASN 104 CO 0.00 -0.56 0.53 -0.08 -1.29 0.00 0.00 177.43 176.04 3fku h GLU 105 N -0.98 0.73 -0.30 0.81 4.81 -1.71 -0.89 114.58 117.06 3fku h GLU 105 Ca -0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3fku h GLU 105 Cb 0.74 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3fku h GLU 105 CO 0.16 0.49 0.15 0.00 -0.73 0.00 0.00 179.01 179.07 3fku h ARG 106 N 0.76 0.44 -0.09 1.92 3.08 -1.56 -2.98 114.38 115.94 3fku h ARG 106 Ca 0.50 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.49 3fku h ARG 106 Cb 0.67 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3fku h ARG 106 CO -0.34 0.40 0.05 1.15 -1.07 0.00 0.00 179.97 180.17 3fku h THR 107 N 0.36 1.03 0.00 2.04 2.02 -0.66 -1.48 112.91 116.22 3fku h THR 107 Ca 0.10 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3fku h THR 107 Cb 0.11 0.90 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3fku h THR 107 CO -0.01 0.03 -0.28 -0.07 0.37 0.00 0.00 175.52 175.56 3fku h LEU 108 N 0.12 0.24 -0.24 2.58 3.38 -1.32 -2.32 115.31 117.76 3fku h LEU 108 Ca 0.03 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3fku h LEU 108 Cb -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fku h LEU 108 CO -0.01 1.00 0.00 0.47 0.09 0.00 0.00 178.44 179.99 3fku n ASP 109 N -4.48 0.16 0.15 -0.43 8.00 -1.11 -1.33 116.55 117.51 3fku n ASP 109 Ca -0.10 0.55 -0.07 0.00 0.71 0.00 0.00 54.79 55.88 3fku n ASP 109 Cb 0.52 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3fku n ASP 109 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fku h PHE 110 N 0.00 -0.41 -0.21 1.24 3.57 -1.18 -3.17 116.94 116.79 3fku h PHE 110 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3fku h PHE 110 Cb 0.20 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3fku h PHE 110 CO 0.00 -0.25 0.31 0.45 -2.23 0.00 0.00 178.31 176.58 3fku h HIS 111 N -0.93 0.00 -0.10 0.41 3.86 -0.79 -0.33 115.15 117.26 3fku h HIS 111 Ca -0.04 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 3fku h HIS 111 Cb 0.34 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.81 3fku h HIS 111 CO 0.02 0.00 -0.52 0.22 0.86 0.00 0.00 177.93 178.51 3fku h ASP 112 N 0.00 0.64 0.07 2.45 1.82 -1.33 -3.12 116.42 116.94 3fku h ASP 112 Ca 0.10 -0.64 -0.00 0.00 -0.39 0.00 0.00 57.03 56.09 3fku h ASP 112 Cb 0.71 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.54 3fku h ASP 112 CO -0.00 1.18 -0.03 0.28 -1.61 0.00 0.00 179.24 179.05 3fku h SER 113 N 0.14 -0.08 -0.85 2.28 0.02 -1.09 -2.02 113.55 111.95 3fku h SER 113 Ca -0.04 -0.50 0.32 0.00 -0.84 0.00 0.00 61.79 60.74 3fku h SER 113 Cb 1.17 0.02 -0.16 0.00 0.14 0.00 0.00 62.40 63.57 3fku h SER 113 CO 0.11 0.49 0.32 0.59 -1.14 0.00 0.00 176.83 177.21 3fku n ASN 114 N -4.86 0.17 -0.01 3.07 4.13 -0.35 -0.21 115.26 117.20 3fku n ASN 114 Ca -0.08 1.42 -0.17 0.00 1.68 0.00 0.00 54.58 57.43 3fku n ASN 114 Cb 0.29 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.77 3fku n ASN 114 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3fku h VAL 115 N 0.00 1.50 -0.81 2.41 2.07 -1.55 -3.02 116.25 116.85 3fku h VAL 115 Ca 0.66 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3fku h VAL 115 Cb 1.65 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 34.13 3fku h VAL 115 CO -0.70 0.58 0.43 0.50 0.02 0.00 0.00 177.57 178.40 3fku h LYS 116 N -0.33 1.13 -0.27 1.57 3.11 0.18 -2.35 116.57 119.62 3fku h LYS 116 Ca -0.06 -0.14 -0.14 0.00 -2.81 0.00 0.00 60.65 57.51 3fku h LYS 116 Cb 1.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 32.20 3fku h LYS 116 CO 0.09 0.84 -0.37 -0.91 -2.81 0.00 0.00 179.45 176.29 3fku h ASN 117 N 1.12 0.79 -0.77 4.20 2.35 -0.91 -2.95 115.58 119.41 3fku h ASN 117 Ca 0.28 -0.51 0.13 0.00 -0.55 0.00 0.00 56.30 55.66 3fku h ASN 117 Cb 0.05 -0.22 -0.14 0.00 0.05 0.00 0.00 38.32 38.05 3fku h ASN 117 CO -0.04 1.14 -0.32 0.25 -1.65 0.00 0.00 177.43 176.80 3fku h LEU 118 N 0.46 -1.16 -1.39 1.61 5.85 -1.37 0.35 115.31 119.66 3fku h LEU 118 Ca 0.03 0.26 0.08 0.00 0.84 0.00 0.00 57.88 59.09 3fku h LEU 118 Cb 0.96 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 3fku h LEU 118 CO 0.09 -0.29 0.49 0.22 -0.34 0.00 0.00 178.44 178.61 3fku h TYR 119 N -0.08 0.74 -0.12 1.25 3.20 -1.41 -2.70 116.97 117.86 3fku h TYR 119 Ca 0.31 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.01 3fku h TYR 119 Cb 0.58 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 3fku h TYR 119 CO -0.72 0.36 -0.70 -0.44 -1.64 0.00 0.00 178.16 175.03 3fku h ASP 120 N 0.71 0.60 -0.45 -2.11 5.19 -0.21 -2.47 116.42 117.67 3fku h ASP 120 Ca 0.34 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 3fku h ASP 120 Cb 0.39 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 3fku h ASP 120 CO -0.12 1.12 0.12 0.50 -3.12 0.00 0.00 179.24 177.75 3fku h LYS 121 N 0.36 0.78 -0.25 3.56 3.64 -0.77 0.51 116.57 124.40 3fku h LYS 121 Ca -0.03 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 3fku h LYS 121 Cb 1.28 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3fku h LYS 121 CO 0.13 0.71 -0.21 0.28 -2.27 0.00 0.00 179.45 178.09 3fku h VAL 122 N 0.76 1.31 -0.34 2.00 2.07 -1.55 -2.86 116.25 117.63 3fku h VAL 122 Ca 0.17 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 3fku h VAL 122 Cb 0.28 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3fku h VAL 122 CO -0.00 0.42 -0.22 -0.09 0.02 0.00 0.00 177.57 177.70 3fku h ARG 123 N 0.29 0.67 -0.34 1.57 2.43 -0.97 -1.96 114.38 116.06 3fku h ARG 123 Ca 0.04 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3fku h ARG 123 Cb 0.75 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3fku h ARG 123 CO 0.05 0.83 0.16 -0.07 -1.51 0.00 0.00 179.97 179.44 3fku h LEU 124 N 0.59 0.45 0.98 3.80 3.38 -0.01 -3.18 115.31 121.32 3fku h LEU 124 Ca 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fku h LEU 124 Cb 0.69 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.34 3fku h LEU 124 CO 0.05 0.45 -0.47 1.56 0.09 0.00 0.00 178.44 180.12 3fku h GLN 125 N 0.42 -1.27 -4.77 1.13 4.20 -1.46 -3.37 115.11 109.98 3fku h GLN 125 Ca 0.12 0.09 -0.71 0.00 0.06 0.00 0.00 58.65 58.20 3fku h GLN 125 Cb 0.12 0.29 -0.19 0.00 0.30 0.00 0.00 27.48 28.00 3fku h GLN 125 CO -0.01 -0.85 0.65 -0.51 -0.67 0.00 0.00 178.83 177.44 3fku s LEU 126 N -9.95 5.41 0.00 1.46 1.43 -0.74 -4.86 118.68 111.43 3fku s LEU 126 Ca -0.19 -2.14 0.00 0.00 -1.03 0.00 0.00 54.13 50.76 3fku s LEU 126 Cb 0.02 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3fku s LEU 126 CO 0.58 -0.97 0.00 0.54 0.23 0.00 0.00 176.35 176.73 3fku n ARG 127 N 6.02 0.00 0.00 1.70 1.74 -1.22 -4.58 116.66 120.33 3fku n ARG 127 Ca 0.20 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.38 3fku n ARG 127 Cb 0.48 0.00 0.56 0.00 -1.02 0.00 0.00 32.46 32.49 3fku n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3fku n ASP 128 N 0.00 0.00 0.25 0.55 5.75 -1.26 -3.60 116.55 118.24 3fku n ASP 128 Ca 0.00 -1.25 0.11 0.00 -0.01 0.00 0.00 54.79 53.64 3fku n ASP 128 Cb 0.00 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 40.75 3fku n ASP 128 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3fku h ASN 129 N 0.00 0.00 -4.06 -1.12 4.21 -1.96 -3.45 115.58 109.21 3fku h ASN 129 Ca 0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 3fku h ASN 129 Cb 0.00 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.03 3fku h ASN 129 CO 0.00 0.15 -0.75 0.00 -1.29 0.00 0.00 177.43 175.55 3fku s ALA 130 N -4.15 1.43 -0.67 -0.83 0.00 -1.24 -1.26 121.76 115.05 3fku s ALA 130 Ca -0.02 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.43 3fku s ALA 130 Cb 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.33 3fku s ALA 130 CO 0.61 0.04 0.81 0.15 0.00 0.00 0.00 175.76 177.36 3fku s LYS 131 N -2.90 3.19 -0.80 0.00 1.02 -1.18 -4.89 119.74 114.18 3fku s LYS 131 Ca 0.10 -1.43 -0.24 0.00 0.02 0.00 0.00 55.97 54.42 3fku s LYS 131 Cb -0.03 -4.37 -0.18 0.00 -0.52 0.00 0.00 37.83 32.72 3fku s LYS 131 CO 0.02 -1.59 2.43 -1.91 -0.92 0.00 0.00 175.35 173.39 3fku n GLU 132 N 6.32 0.44 0.23 1.68 2.13 -1.26 -3.74 120.64 126.43 3fku n GLU 132 Ca -0.02 -0.21 0.08 0.00 0.66 0.00 0.00 57.16 57.67 3fku n GLU 132 Cb 0.44 -2.51 0.53 0.00 0.27 0.00 0.00 31.44 30.17 3fku n GLU 132 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3fku h LEU 133 N 16.67 0.00 0.00 4.31 5.85 -1.45 -3.47 115.31 137.23 3fku h LEU 133 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3fku h LEU 133 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3fku h LEU 133 CO 1.28 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 180.22 3fku n GLY 134 N -0.47 1.90 0.42 3.75 0.00 -1.25 -4.91 105.19 104.62 3fku n GLY 134 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 3fku n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fku n ASN 135 N 0.00 1.26 0.00 1.61 0.23 -1.26 -4.86 115.26 112.24 3fku n ASN 135 Ca 0.00 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3fku n ASN 135 Cb 0.00 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3fku n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fku n GLY 136 N 1.02 0.93 3.15 4.83 0.00 -1.26 -4.18 105.19 109.68 3fku n GLY 136 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3fku n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku n PHE 138 N 2.19 -2.84 -3.15 0.00 3.01 -1.26 -1.16 117.46 114.25 3fku n PHE 138 Ca -0.17 -0.86 0.04 0.00 1.01 0.00 0.00 57.45 57.48 3fku n PHE 138 Cb 0.55 -0.26 -0.00 0.00 -0.01 0.00 0.00 39.48 39.75 3fku n PHE 138 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3fku s GLU 139 N -3.25 0.44 0.24 -1.08 4.04 -1.25 -4.80 118.70 113.06 3fku s GLU 139 Ca 0.27 0.55 -0.31 0.00 0.04 0.00 0.00 54.97 55.52 3fku s GLU 139 Cb -0.02 0.27 -0.14 0.00 0.02 0.00 0.00 34.13 34.27 3fku s GLU 139 CO 0.17 -0.72 1.33 1.19 -1.84 0.00 0.00 175.26 175.39 3fku n PHE 140 N 5.37 1.98 0.14 4.83 3.01 -1.26 -3.11 117.46 128.42 3fku n PHE 140 Ca 0.03 0.50 -0.06 0.00 1.01 0.00 0.00 57.45 58.94 3fku n PHE 140 Cb 0.54 -2.41 -0.03 0.00 -0.01 0.00 0.00 39.48 37.57 3fku n PHE 140 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 3fku h TYR 141 N 3.73 -0.35 -3.84 1.38 0.99 -1.54 -3.44 116.97 113.89 3fku h TYR 141 Ca -0.44 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 59.72 3fku h TYR 141 Cb 1.29 0.12 0.15 0.00 1.00 0.00 0.00 36.73 39.29 3fku h TYR 141 CO 0.55 -0.22 0.44 -2.39 -0.00 0.00 0.00 178.16 176.54 3fku n HIS 142 N -3.31 1.81 -2.56 4.88 1.44 -1.26 -4.94 115.22 111.27 3fku n HIS 142 Ca -0.05 0.44 -0.42 0.00 -2.01 0.00 0.00 57.72 55.68 3fku n HIS 142 Cb 0.15 -2.29 -0.03 0.00 0.12 0.00 0.00 29.99 27.95 3fku n HIS 142 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 3fku s LYS 143 N -2.84 4.44 -0.17 -1.40 -2.85 -1.26 -5.02 119.74 110.64 3fku s LYS 143 Ca 0.73 1.57 -0.00 0.00 -1.00 0.00 0.00 55.97 57.28 3fku s LYS 143 Cb -0.43 -3.48 0.04 0.00 -2.06 0.00 0.00 37.83 31.91 3fku s LYS 143 CO 0.48 -0.27 -0.07 0.00 0.10 0.00 0.00 175.35 175.59 3fku n ASP 145 N 4.82 -0.33 0.13 0.00 3.85 -1.26 -4.75 116.55 119.01 3fku n ASP 145 Ca -0.13 -0.93 -0.01 0.00 -0.71 0.00 0.00 54.79 53.01 3fku n ASP 145 Cb 0.48 -0.15 0.25 0.00 -1.35 0.00 0.00 41.12 40.34 3fku n ASP 145 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3fku h ASN 146 N -0.56 0.12 -0.34 -1.12 -0.26 -1.99 -2.53 115.58 108.90 3fku h ASN 146 Ca -0.06 -0.05 -0.12 0.00 -0.56 0.00 0.00 56.30 55.51 3fku h ASN 146 Cb 0.18 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 3fku h ASN 146 CO 0.04 0.56 -0.24 -0.08 -1.06 0.00 0.00 177.43 176.66 3fku h GLU 147 N 0.09 0.76 -0.14 0.81 4.81 -2.02 -3.18 114.58 115.72 3fku h GLU 147 Ca 0.00 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3fku h GLU 147 Cb 0.84 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3fku h GLU 147 CO 0.06 0.99 -0.16 0.00 -0.73 0.00 0.00 179.01 179.18 3fku h MET 149 N 0.22 -0.40 -0.95 0.00 2.86 -1.44 -2.93 114.93 112.29 3fku h MET 149 Ca 0.04 0.03 0.29 0.00 -2.06 0.00 0.00 59.70 58.00 3fku h MET 149 Cb 0.41 0.09 -0.17 0.00 0.06 0.00 0.00 31.60 32.00 3fku h MET 149 CO 0.03 -0.25 0.22 0.93 1.06 0.00 0.00 176.91 178.89 3fku h GLU 150 N -0.44 0.09 -0.36 1.72 4.39 -1.53 0.11 114.58 118.57 3fku h GLU 150 Ca -0.04 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.68 3fku h GLU 150 Cb 0.33 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3fku h GLU 150 CO 0.07 0.06 0.16 0.66 -1.16 0.00 0.00 179.01 178.80 3fku h SER 151 N 0.09 0.21 -0.58 1.42 4.64 -1.56 0.16 113.55 117.94 3fku h SER 151 Ca 0.63 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.88 3fku h SER 151 Cb 1.39 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 3fku h SER 151 CO -0.78 0.16 0.01 0.58 -0.87 0.00 0.00 176.83 175.93 3fku h VAL 152 N 0.33 1.26 -0.21 0.95 2.07 -1.06 0.40 116.25 119.98 3fku h VAL 152 Ca 0.15 -1.12 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 3fku h VAL 152 Cb 0.09 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3fku h VAL 152 CO -0.13 0.41 -0.40 -0.09 0.02 0.00 0.00 177.57 177.38 3fku h ARG 153 N 0.95 0.65 -0.01 1.57 2.43 -0.02 -3.00 114.38 116.95 3fku h ARG 153 Ca 0.17 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3fku h ARG 153 Cb 0.53 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3fku h ARG 153 CO 0.03 1.03 0.00 0.27 -1.51 0.00 0.00 179.97 179.79 3fku n ASN 154 N -4.22 1.14 0.00 -3.80 6.94 0.49 -4.95 115.26 110.86 3fku n ASN 154 Ca -0.06 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 3fku n ASN 154 Cb 0.54 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 3fku n ASN 154 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fku n GLY 155 N 1.13 1.10 2.51 4.83 0.00 -0.94 -5.00 105.19 108.82 3fku n GLY 155 Ca 0.20 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3fku n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fku n THR 156 N -2.47 1.20 -2.70 2.61 -2.24 0.14 -5.01 114.28 105.79 3fku n THR 156 Ca 0.00 -4.52 -0.35 0.00 -2.27 0.00 0.00 64.05 56.91 3fku n THR 156 Cb 0.19 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 3fku n THR 156 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3fku s TYR 157 N -2.98 3.40 -0.30 4.78 5.04 -0.94 -4.60 117.35 121.75 3fku s TYR 157 Ca 0.40 1.68 -0.06 0.00 -2.44 0.00 0.00 57.07 56.65 3fku s TYR 157 Cb 0.37 -2.97 0.02 0.00 0.35 0.00 0.00 41.96 39.72 3fku s TYR 157 CO -0.08 -0.21 0.06 0.34 -1.34 0.00 0.00 175.55 174.32 3fku s ASP 158 N -1.80 5.04 -0.14 4.32 -1.08 -1.26 -5.00 116.67 116.76 3fku s ASP 158 Ca 0.57 -0.84 -0.27 0.00 -0.52 0.00 0.00 52.55 51.49 3fku s ASP 158 Cb -0.17 -1.84 -0.26 0.00 -1.46 0.00 0.00 42.92 39.20 3fku s ASP 158 CO 0.21 -0.21 0.70 0.22 0.52 0.00 0.00 175.17 176.61 3fku h TYR 159 N 8.19 0.09 0.00 -5.34 5.03 -1.97 -3.32 116.97 119.64 3fku h TYR 159 Ca -0.29 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 60.95 3fku h TYR 159 Cb 1.11 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.39 3fku h TYR 159 CO 0.60 1.13 0.00 -2.30 -1.32 0.00 0.00 178.16 176.27 3fku n PRO 160 N -4.50 0.07 -0.10 1.82 -0.02 -1.26 -0.66 135.00 130.36 3fku n PRO 160 Ca -0.14 0.10 -0.20 0.00 -2.02 0.00 0.00 63.50 61.23 3fku n PRO 160 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 3fku n PRO 160 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3fku n GLN 161 N -1.11 0.40 0.00 -0.52 7.27 -1.26 -4.51 117.38 117.65 3fku n GLN 161 Ca 0.02 0.18 0.06 0.00 0.07 0.00 0.00 57.00 57.33 3fku n GLN 161 Cb 0.01 -1.18 0.36 0.00 2.41 0.00 0.00 30.24 31.84 3fku n GLN 161 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fku n TYR 162 N -3.85 0.00 0.04 3.69 4.02 -1.10 -4.09 117.16 115.87 3fku n TYR 162 Ca -0.38 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.39 3fku n TYR 162 Cb 0.77 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.00 3fku n TYR 162 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3fku h SER 163 N 0.00 -0.07 0.35 7.72 4.64 -1.12 -2.84 113.55 122.23 3fku h SER 163 Ca 0.00 -0.22 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 3fku h SER 163 Cb 0.00 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3fku h SER 163 CO 0.00 0.18 -0.83 -0.33 -0.87 0.00 0.00 176.83 174.98 3fku h GLU 164 N -0.33 0.36 -0.25 4.77 3.07 -1.86 -2.68 114.58 117.67 3fku h GLU 164 Ca -0.01 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.48 3fku h GLU 164 Cb 0.29 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3fku h GLU 164 CO 0.01 1.01 0.03 1.49 -1.40 0.00 0.00 179.01 180.15 3fku h GLU 165 N 0.22 0.36 -0.07 2.33 4.81 -1.80 -1.49 114.58 118.94 3fku h GLU 165 Ca -0.05 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3fku h GLU 165 Cb 1.43 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3fku h GLU 165 CO 0.14 0.37 -0.26 0.00 -0.73 0.00 0.00 179.01 178.52 3fku h ALA 166 N 1.68 0.12 0.00 2.92 0.00 -1.35 -3.30 119.26 119.34 3fku h ALA 166 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fku h ALA 166 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fku h ALA 166 CO 0.00 0.13 -0.09 0.07 0.00 0.00 0.00 179.25 179.37 3fku h ARG 167 N -0.21 0.00 0.00 0.00 -0.00 -1.36 -2.00 114.38 110.81 3fku h ARG 167 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 3fku h ARG 167 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.87 3fku h ARG 167 CO 0.06 0.09 -0.26 1.25 -0.00 0.00 0.00 179.97 181.10 3fku h LEU 168 N 0.00 0.00 0.10 0.08 5.85 -1.40 0.55 115.31 120.49 3fku h LEU 168 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 3fku h LEU 168 Cb 1.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.10 3fku h LEU 168 CO 0.01 0.26 -0.90 0.50 -0.34 0.00 0.00 178.44 177.97 3fku h LYS 169 N 0.00 0.22 -0.95 1.25 3.11 -1.61 -3.32 116.57 115.27 3fku h LYS 169 Ca -0.00 -0.37 0.16 0.00 -2.81 0.00 0.00 60.65 57.62 3fku h LYS 169 Cb 0.74 0.14 -0.10 0.00 -1.00 0.00 0.00 32.23 32.01 3fku h LYS 169 CO 0.03 1.18 0.55 0.00 -2.81 0.00 0.00 179.45 178.41 3fku h ARG 170 N -0.49 0.75 -0.46 1.90 3.08 -1.19 -2.76 114.38 115.21 3fku h ARG 170 Ca -0.18 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 59.91 3fku h ARG 170 Cb 1.56 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 31.34 3fku h ARG 170 CO 0.08 0.50 -0.30 1.49 -1.07 0.00 0.00 179.97 180.66 3fku h GLU 171 N 0.77 -0.19 -0.01 0.04 4.81 0.01 -2.94 114.58 117.07 3fku h GLU 171 Ca 0.52 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3fku h GLU 171 Cb 0.70 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3fku h GLU 171 CO -0.34 -0.13 -0.57 -0.85 -0.73 0.00 0.00 179.01 176.38 3fku n GLU 172 N -5.42 0.47 0.00 1.92 -0.00 -1.06 -4.01 120.64 112.54 3fku n GLU 172 Ca 0.02 -0.34 -0.18 0.00 -0.00 0.00 0.00 57.16 56.66 3fku n GLU 172 Cb 0.34 -1.49 -0.14 0.00 -0.00 0.00 0.00 31.44 30.14 3fku n GLU 172 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 3fku h ILE 173 N 0.84 1.57 0.00 3.84 -0.00 -1.40 -3.52 117.51 118.83 3fku h ILE 173 Ca 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 64.86 62.40 3fku h ILE 173 Cb 0.56 3.22 0.00 0.00 -0.00 0.00 0.00 36.82 40.60 3fku h ILE 173 CO 0.00 0.67 0.00 -1.54 -0.00 0.00 0.00 178.15 177.28