#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku h LEU 2 N 0.00 0.00 -0.05 0.99 3.38 -1.93 -3.39 115.31 114.31 3fku h LEU 2 Ca 0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3fku h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fku h LEU 2 CO 0.00 1.02 0.00 -0.26 0.09 0.00 0.00 178.44 179.29 3fku h PHE 3 N -1.00 0.00 0.00 1.13 -1.00 -1.90 -3.47 116.94 110.70 3fku h PHE 3 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3fku h PHE 3 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 3fku h PHE 3 CO 0.19 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.30 3fku n GLY 4 N 1.19 0.72 0.06 -1.45 0.00 -1.26 -4.92 105.19 99.53 3fku n GLY 4 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3fku n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku h ALA 5 N 0.00 -0.16 -2.46 4.61 0.00 -1.92 -2.40 119.26 116.93 3fku h ALA 5 Ca 0.00 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 3fku h ALA 5 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fku h ALA 5 CO 0.00 -0.15 0.76 0.42 0.00 0.00 0.00 179.25 180.28 3fku s ILE 6 N -1.71 3.55 -2.12 0.00 1.01 -1.26 -2.14 121.20 118.53 3fku s ILE 6 Ca -0.01 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3fku s ILE 6 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3fku s ILE 6 CO 0.04 0.04 0.00 0.00 0.00 0.00 0.00 174.94 175.02 3fku n ALA 7 N 4.60 -0.30 -2.00 9.38 0.00 -1.20 -4.74 120.51 126.25 3fku n ALA 7 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3fku n ALA 7 Cb 0.43 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.34 0.77 0.00 0.00 0.00 -1.11 -4.92 105.19 99.60 3fku n GLY 8 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3fku n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fku n PHE 9 N 0.00 0.03 -3.47 1.61 1.16 -0.90 -4.62 117.46 111.27 3fku n PHE 9 Ca 0.00 0.01 -0.43 0.00 -1.87 0.00 0.00 57.45 55.16 3fku n PHE 9 Cb 0.00 -0.33 -0.09 0.00 -1.61 0.00 0.00 39.48 37.45 3fku n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3fku s ILE 10 N -3.01 5.07 -1.29 1.97 1.01 -0.91 -3.76 121.20 120.28 3fku s ILE 10 Ca 0.11 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 3fku s ILE 10 Cb 0.18 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.82 3fku s ILE 10 CO 0.67 -0.39 1.72 -1.61 0.00 0.00 0.00 174.94 175.32 3fku s GLU 11 N 1.63 3.98 0.11 2.79 0.41 -1.26 -3.25 118.70 123.11 3fku s GLU 11 Ca 0.04 -2.00 0.00 0.00 -0.41 0.00 0.00 54.97 52.60 3fku s GLU 11 Cb -0.21 -5.51 0.00 0.00 -1.78 0.00 0.00 34.13 26.63 3fku s GLU 11 CO 0.08 -2.24 0.00 0.41 -0.49 0.00 0.00 175.26 173.02 3fku n GLY 12 N 5.38 -1.65 3.56 -1.39 0.00 -1.26 -5.00 105.19 104.83 3fku n GLY 12 Ca 0.48 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.09 1.75 -0.13 -0.02 0.00 -1.26 -4.89 107.32 98.68 3fku s GLY 13 Ca 0.00 -1.70 -0.22 0.00 0.00 0.00 0.00 44.72 42.80 3fku s GLY 13 CO 0.00 -1.77 0.67 -0.98 0.00 0.00 0.00 173.10 171.02 3fku s TRP 14 N -2.25 3.48 0.14 1.90 0.51 -1.26 -4.93 118.94 116.53 3fku s TRP 14 Ca 0.29 1.10 -0.14 0.00 -2.12 0.00 0.00 56.10 55.23 3fku s TRP 14 Cb -0.06 -2.80 0.02 0.00 -0.81 0.00 0.00 33.47 29.82 3fku s TRP 14 CO 0.17 -0.03 1.64 1.96 -0.51 0.00 0.00 176.95 180.18 3fku h GLN 15 N 7.07 0.77 0.00 4.98 1.08 -2.04 -3.26 115.11 123.71 3fku h GLN 15 Ca -0.36 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 56.63 3fku h GLN 15 Cb 1.17 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3fku h GLN 15 CO 0.77 0.76 -0.10 0.78 -0.95 0.00 0.00 178.83 180.09 3fku h GLY 16 N 0.64 0.00 -7.29 3.46 0.00 -2.05 -3.38 103.07 94.45 3fku h GLY 16 Ca 0.15 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.93 3fku h GLY 16 CO 0.00 0.00 1.20 -0.29 0.00 0.00 0.00 176.54 177.45 3fku s MET 17 N -4.55 3.25 -0.02 4.80 -2.45 -1.23 -4.83 119.30 114.27 3fku s MET 17 Ca -0.04 -0.44 0.22 0.00 -1.25 0.00 0.00 55.69 54.18 3fku s MET 17 Cb 0.15 -4.56 -0.29 0.00 1.25 0.00 0.00 34.83 31.37 3fku s MET 17 CO 0.62 -2.25 0.63 1.33 1.05 0.00 0.00 175.02 176.41 3fku n VAL 18 N 6.63 0.01 1.24 10.11 0.24 -1.26 -4.52 118.33 130.79 3fku n VAL 18 Ca 0.14 -0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.23 3fku n VAL 18 Cb 0.50 0.31 0.36 0.00 -1.47 0.00 0.00 33.84 33.53 3fku n VAL 18 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3fku n ASP 19 N -2.02 1.14 -0.50 -1.34 8.00 -1.26 -5.00 116.55 115.57 3fku n ASP 19 Ca -0.01 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3fku n ASP 19 Cb 0.49 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3fku n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fku n GLY 20 N 1.34 1.79 0.12 0.44 0.00 -1.26 -4.98 105.19 102.63 3fku n GLY 20 Ca 0.12 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3fku n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fku n TRP 21 N 0.00 0.28 -4.19 1.61 8.01 -1.26 -4.96 117.44 116.92 3fku n TRP 21 Ca 0.00 0.07 -0.17 0.00 -1.31 0.00 0.00 57.50 56.10 3fku n TRP 21 Cb 0.00 -1.04 -0.15 0.00 -2.01 0.00 0.00 31.31 28.11 3fku n TRP 21 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3fku s TYR 22 N -2.52 0.55 0.00 -5.99 1.51 -1.26 -5.07 117.35 104.56 3fku s TYR 22 Ca -0.22 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 3fku s TYR 22 Cb 0.08 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.55 3fku s TYR 22 CO 0.72 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.54 3fku n GLY 23 N 3.06 2.70 3.40 0.71 0.00 -1.26 -1.64 105.19 112.16 3fku n GLY 23 Ca -0.14 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.66 1.83 -0.22 1.61 1.51 -1.03 -4.88 117.35 111.52 3fku s TYR 24 Ca 0.00 -0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 55.21 3fku s TYR 24 Cb 0.00 -1.08 0.10 0.00 -0.11 0.00 0.00 41.96 40.86 3fku s TYR 24 CO 0.00 0.14 0.20 -1.58 -1.11 0.00 0.00 175.55 173.19 3fku s HIS 25 N -3.19 -0.14 1.06 2.71 2.46 -1.26 -0.61 115.29 116.32 3fku s HIS 25 Ca 0.30 -0.09 -0.17 0.00 0.47 0.00 0.00 55.06 55.57 3fku s HIS 25 Cb 0.05 -0.51 0.23 0.00 -0.13 0.00 0.00 32.58 32.23 3fku s HIS 25 CO 0.11 -0.67 1.24 -3.38 -2.47 0.00 0.00 174.74 169.57 3fku s HIS 26 N 2.27 1.15 -0.44 3.88 -3.43 -1.05 -4.98 115.29 112.68 3fku s HIS 26 Ca 0.07 0.39 0.06 0.00 -0.80 0.00 0.00 55.06 54.78 3fku s HIS 26 Cb -0.16 -3.85 0.32 0.00 -1.43 0.00 0.00 32.58 27.47 3fku s HIS 26 CO -0.18 -3.15 1.17 0.45 -2.00 0.00 0.00 174.74 171.02 3fku n SER 27 N -4.17 -2.16 -4.54 7.38 2.88 -1.26 -4.32 113.62 107.43 3fku n SER 27 Ca 0.14 -3.37 -0.25 0.00 -1.33 0.00 0.00 58.87 54.06 3fku n SER 27 Cb 0.59 1.80 -0.10 0.00 -0.75 0.00 0.00 64.21 65.75 3fku n SER 27 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fku s ASN 28 N -1.09 4.02 0.05 -3.46 4.22 -1.22 -5.04 114.94 112.41 3fku s ASN 28 Ca 0.22 -0.74 -0.09 0.00 -2.14 0.00 0.00 52.86 50.12 3fku s ASN 28 Cb 0.29 -0.57 -0.01 0.00 1.28 0.00 0.00 41.25 42.24 3fku s ASN 28 CO -0.08 0.07 0.46 -0.62 -2.04 0.00 0.00 177.10 174.89 3fku n GLU 29 N -0.23 -0.12 -0.03 3.55 -0.58 -1.26 -3.01 120.64 118.96 3fku n GLU 29 Ca -0.09 0.45 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3fku n GLU 29 Cb 0.57 -0.66 -0.00 0.00 -0.57 0.00 0.00 31.44 30.78 3fku n GLU 29 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 3fku h GLN 30 N 0.00 0.00 -6.35 3.49 3.07 -1.98 -3.47 115.11 109.87 3fku h GLN 30 Ca 0.06 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.30 3fku h GLN 30 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 3fku h GLN 30 CO -0.28 0.00 -0.28 0.20 0.09 0.00 0.00 178.83 178.56 3fku s GLY 31 N -2.97 1.54 -0.33 0.06 0.00 -1.16 -5.09 107.32 99.36 3fku s GLY 31 Ca -0.00 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.89 3fku s GLY 31 CO 0.00 -0.85 0.60 -0.45 0.00 0.00 0.00 173.10 172.40 3fku s SER 32 N -3.60 -1.58 -0.05 1.64 0.15 -1.26 -3.43 113.70 105.57 3fku s SER 32 Ca 0.39 -0.18 -0.31 0.00 0.70 0.00 0.00 55.95 56.55 3fku s SER 32 Cb -0.10 2.00 0.12 0.00 -1.71 0.00 0.00 66.02 66.33 3fku s SER 32 CO 0.32 -0.25 1.34 -0.83 1.20 0.00 0.00 173.24 175.01 3fku s GLY 33 N 2.46 -0.34 0.86 9.45 0.00 -1.26 -5.05 107.32 113.44 3fku s GLY 33 Ca 0.12 0.52 -0.13 0.00 0.00 0.00 0.00 44.72 45.24 3fku s GLY 33 CO -0.19 2.41 1.22 -0.19 0.00 0.00 0.00 173.10 176.35 3fku s TYR 34 N -2.16 2.49 -0.35 1.90 1.51 -1.26 -2.53 117.35 116.95 3fku s TYR 34 Ca 0.21 0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 56.80 3fku s TYR 34 Cb 0.04 -3.69 0.19 0.00 -0.11 0.00 0.00 41.96 38.38 3fku s TYR 34 CO -0.04 -2.05 0.95 0.00 -1.11 0.00 0.00 175.55 173.30 3fku s ALA 35 N -3.67 -3.91 0.48 3.71 0.00 0.22 -4.91 121.76 113.68 3fku s ALA 35 Ca 0.66 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 3fku s ALA 35 Cb -0.09 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 3fku s ALA 35 CO 0.50 -2.43 1.16 0.00 0.00 0.00 0.00 175.76 175.00 3fku n ALA 36 N 3.80 0.86 -2.81 0.00 0.00 -1.26 -2.46 120.51 118.63 3fku n ALA 36 Ca 0.07 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.25 3fku n ALA 36 Cb 0.62 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.80 6.21 0.02 0.00 3.68 -0.65 -4.86 116.67 120.26 3fku s ASP 37 Ca 0.67 -1.01 -0.20 0.00 2.13 0.00 0.00 52.55 54.14 3fku s ASP 37 Cb -0.48 -2.28 -0.19 0.00 -1.45 0.00 0.00 42.92 38.52 3fku s ASP 37 CO 0.54 -0.89 1.19 0.11 0.13 0.00 0.00 175.17 176.26 3fku h LYS 38 N 8.99 0.42 -0.84 4.34 6.56 -1.93 -2.80 116.57 131.30 3fku h LYS 38 Ca -0.28 -0.35 0.03 0.00 -1.06 0.00 0.00 60.65 58.99 3fku h LYS 38 Cb 1.10 0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.78 3fku h LYS 38 CO 0.97 0.99 0.55 1.49 -2.06 0.00 0.00 179.45 181.38 3fku h GLU 39 N -0.04 1.04 0.07 3.15 4.57 -1.97 0.34 114.58 121.74 3fku h GLU 39 Ca -0.03 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3fku h GLU 39 Cb 1.08 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3fku h GLU 39 CO 0.09 0.69 -0.03 0.66 -1.18 0.00 0.00 179.01 179.23 3fku h SER 40 N 1.07 -0.08 -0.98 1.04 4.64 -1.95 -2.06 113.55 115.23 3fku h SER 40 Ca 0.33 -0.43 0.19 0.00 -0.47 0.00 0.00 61.79 61.41 3fku h SER 40 Cb -0.02 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 61.99 3fku h SER 40 CO -0.10 0.59 0.61 0.00 -0.87 0.00 0.00 176.83 177.06 3fku h THR 41 N -0.96 0.71 -0.32 2.95 1.03 -1.42 0.33 112.91 115.23 3fku h THR 41 Ca -0.01 -0.23 -0.06 0.00 -0.01 0.00 0.00 66.41 66.09 3fku h THR 41 Cb 0.51 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.55 3fku h THR 41 CO 0.02 0.12 -0.05 -0.61 -0.01 0.00 0.00 175.52 174.99 3fku h GLN 42 N 0.68 0.60 0.00 0.00 5.75 -0.41 -2.66 115.11 119.07 3fku h GLN 42 Ca 0.54 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.80 3fku h GLN 42 Cb 0.96 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 3fku h GLN 42 CO -0.31 0.76 -0.14 -0.22 -2.65 0.00 0.00 178.83 176.27 3fku h LYS 43 N 0.39 0.00 -0.15 1.69 3.64 0.29 -1.15 116.57 121.28 3fku h LYS 43 Ca 0.09 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 3fku h LYS 43 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3fku h LYS 43 CO 0.03 0.14 -0.68 0.00 -2.27 0.00 0.00 179.45 176.67 3fku h ALA 44 N 1.86 0.51 -0.30 5.00 0.00 -0.89 -3.22 119.26 122.22 3fku h ALA 44 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3fku h ALA 44 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fku h ALA 44 CO 0.02 0.71 0.12 0.82 0.00 0.00 0.00 179.25 180.92 3fku h ILE 45 N 0.44 1.17 -0.97 0.00 2.04 -0.92 -2.65 117.51 116.63 3fku h ILE 45 Ca -0.02 -0.52 0.22 0.00 1.00 0.00 0.00 64.86 65.54 3fku h ILE 45 Cb 1.27 0.96 -0.18 0.00 -0.74 0.00 0.00 36.82 38.13 3fku h ILE 45 CO 0.13 0.18 -0.13 0.44 0.00 0.00 0.00 178.15 178.77 3fku h ASP 46 N 0.33 -0.72 0.01 1.72 3.32 -1.29 -0.93 116.42 118.85 3fku h ASP 46 Ca 0.10 0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 3fku h ASP 46 Cb 0.17 0.55 0.01 0.00 0.22 0.00 0.00 39.33 40.28 3fku h ASP 46 CO -0.01 -0.33 -0.34 1.23 -1.72 0.00 0.00 179.24 178.07 3fku h GLY 47 N 0.01 0.24 1.68 2.75 0.00 -1.49 -2.64 103.07 103.60 3fku h GLY 47 Ca 0.52 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 3fku h GLY 47 CO -0.96 0.38 -0.50 -2.08 0.00 0.00 0.00 176.54 173.38 3fku h VAL 48 N -0.46 1.34 -0.75 4.60 2.07 -1.37 -0.39 116.25 121.29 3fku h VAL 48 Ca -0.04 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.77 3fku h VAL 48 Cb 1.11 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 3fku h VAL 48 CO 0.07 0.52 0.47 0.74 0.02 0.00 0.00 177.57 179.40 3fku h THR 49 N 0.28 1.10 -0.08 2.57 2.02 -1.25 -2.51 112.91 115.03 3fku h THR 49 Ca 0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3fku h THR 49 Cb 0.98 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3fku h THR 49 CO 0.08 0.17 0.00 0.78 0.37 0.00 0.00 175.52 176.92 3fku h ASN 50 N 0.92 0.13 0.00 4.18 2.35 -1.16 -1.57 115.58 120.44 3fku h ASN 50 Ca 0.31 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fku h ASN 50 Cb 0.03 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3fku h ASN 50 CO -0.12 0.41 0.51 0.50 -1.65 0.00 0.00 177.43 177.08 3fku h LYS 51 N -0.15 0.00 0.00 0.81 3.64 -0.80 0.19 116.57 120.26 3fku h LYS 51 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fku h LYS 51 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3fku h LYS 51 CO 0.00 0.00 -1.13 1.33 -2.27 0.00 0.00 179.45 177.38 3fku n VAL 52 N -2.76 0.00 1.41 2.00 0.24 -0.97 -3.79 118.33 114.46 3fku n VAL 52 Ca -0.01 -0.23 0.02 0.00 -2.04 0.00 0.00 64.34 62.08 3fku n VAL 52 Cb 0.54 0.49 0.07 0.00 -1.47 0.00 0.00 33.84 33.47 3fku n VAL 52 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3fku n ASN 53 N -1.64 0.95 -0.12 -1.34 5.03 -0.25 -3.35 115.26 114.54 3fku n ASN 53 Ca -0.01 -2.02 -0.16 0.00 0.87 0.00 0.00 54.58 53.27 3fku n ASN 53 Cb 0.20 -0.15 -0.11 0.00 -1.02 0.00 0.00 39.78 38.70 3fku n ASN 53 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3fku n SER 54 N -0.02 1.93 0.01 6.41 7.64 0.51 -4.40 113.62 125.70 3fku n SER 54 Ca 0.05 -0.11 -0.19 0.00 1.01 0.00 0.00 58.87 59.63 3fku n SER 54 Cb 0.16 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 3fku n SER 54 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3fku h ILE 55 N 0.00 0.71 -0.96 0.44 2.04 -1.69 -3.26 117.51 114.79 3fku h ILE 55 Ca -0.53 -2.44 0.27 0.00 1.00 0.00 0.00 64.86 63.16 3fku h ILE 55 Cb 1.87 2.53 -0.18 0.00 -0.74 0.00 0.00 36.82 40.30 3fku h ILE 55 CO -0.07 0.83 0.03 -0.38 0.00 0.00 0.00 178.15 178.56 3fku n ILE 56 N -3.42 -0.40 0.26 -0.67 5.41 -1.21 -2.08 119.36 117.24 3fku n ILE 56 Ca -0.28 2.11 0.12 0.00 1.00 0.00 0.00 62.75 65.69 3fku n ILE 56 Cb 1.05 -3.08 0.14 0.00 -0.71 0.00 0.00 39.64 37.04 3fku n ILE 56 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3fku h ASP 57 N 0.00 0.00 1.35 4.38 3.45 -1.77 -3.24 116.42 120.60 3fku h ASP 57 Ca 0.58 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.93 3fku h ASP 57 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 3fku h ASP 57 CO -0.90 0.01 -0.67 0.11 -1.57 0.00 0.00 179.24 176.22 3fku h LYS 58 N 0.00 0.00 -1.98 3.56 6.56 -1.46 -3.29 116.57 119.96 3fku h LYS 58 Ca 0.00 0.00 -0.77 0.00 -1.06 0.00 0.00 60.65 58.82 3fku h LYS 58 Cb 0.95 0.00 -0.27 0.00 -0.57 0.00 0.00 32.23 32.34 3fku h LYS 58 CO 0.00 0.35 1.06 -1.33 -2.06 0.00 0.00 179.45 177.47 3fku n MET 59 N -3.09 2.75 0.00 3.15 2.81 -1.00 -3.96 117.12 117.78 3fku n MET 59 Ca -0.00 -3.50 0.00 0.00 -1.81 0.00 0.00 57.70 52.39 3fku n MET 59 Cb 0.72 -2.27 -0.00 0.00 -0.71 0.00 0.00 33.22 30.95 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 -0.54 0.35 -3.00 7.83 4.13 -1.24 -4.60 115.26 118.20 3fku n ASN 60 Ca 0.54 -0.68 -0.21 0.00 1.68 0.00 0.00 54.58 55.91 3fku n ASN 60 Cb 0.24 0.70 -0.03 0.00 -1.54 0.00 0.00 39.78 39.16 3fku n ASN 60 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3fku n THR 61 N -0.70 1.37 -0.58 3.41 -1.04 -1.25 -5.08 114.28 110.41 3fku n THR 61 Ca 0.00 -4.86 -0.29 0.00 -2.04 0.00 0.00 64.05 56.86 3fku n THR 61 Cb 0.02 -0.69 0.26 0.00 -1.82 0.00 0.00 70.33 68.10 3fku n THR 61 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3fku s GLN 62 N -2.97 -1.29 -0.18 -2.82 -0.21 -1.26 -4.97 119.66 105.95 3fku s GLN 62 Ca 0.43 0.63 -0.29 0.00 0.02 0.00 0.00 55.36 56.15 3fku s GLN 62 Cb 0.34 -1.53 -0.02 0.00 1.00 0.00 0.00 33.01 32.80 3fku s GLN 62 CO -0.10 -3.92 1.41 0.12 -2.12 0.00 0.00 175.29 170.68 3fku s PHE 63 N -2.48 2.52 0.08 0.91 5.36 -1.26 -4.98 117.98 118.13 3fku s PHE 63 Ca 0.68 0.75 -0.31 0.00 -0.96 0.00 0.00 56.93 57.09 3fku s PHE 63 Cb -0.22 -3.75 -0.08 0.00 -0.34 0.00 0.00 43.02 38.63 3fku s PHE 63 CO 0.63 -2.32 1.47 -1.21 -1.46 0.00 0.00 175.22 172.32 3fku s GLU 64 N 3.95 4.27 -0.31 10.12 2.02 -1.26 -5.02 118.70 132.47 3fku s GLU 64 Ca 0.61 2.14 -0.06 0.00 0.02 0.00 0.00 54.97 57.68 3fku s GLU 64 Cb -0.23 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.63 3fku s GLU 64 CO 0.22 -0.56 0.07 0.00 0.02 0.00 0.00 175.26 175.01 3fku s ALA 65 N 1.76 3.01 0.10 5.21 0.00 -1.26 -5.08 121.76 125.51 3fku s ALA 65 Ca 0.67 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 51.09 3fku s ALA 65 Cb -0.37 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3fku s ALA 65 CO 0.30 -1.08 -0.10 0.14 0.00 0.00 0.00 175.76 175.02 3fku s VAL 66 N 1.44 0.94 0.15 0.00 -7.23 -1.26 -5.18 120.40 109.26 3fku s VAL 66 Ca 0.01 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3fku s VAL 66 Cb -0.18 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3fku s VAL 66 CO 0.02 -0.61 0.27 -0.83 -0.31 0.00 0.00 175.10 173.64 3fku s GLY 67 N -2.58 1.70 0.23 2.32 0.00 -1.26 -5.12 107.32 102.60 3fku s GLY 67 Ca 0.07 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.77 3fku s GLY 67 CO -0.00 -1.05 0.02 0.50 0.00 0.00 0.00 173.10 172.57 3fku s ARG 68 N -3.24 1.32 -0.04 2.90 0.52 -1.26 -5.16 118.95 113.99 3fku s ARG 68 Ca 0.34 -1.67 -0.02 0.00 -0.52 0.00 0.00 55.73 53.86 3fku s ARG 68 Cb -0.11 -0.48 0.03 0.00 0.52 0.00 0.00 34.95 34.91 3fku s ARG 68 CO 0.28 -0.15 0.07 -2.00 0.02 0.00 0.00 175.30 173.53 3fku s GLU 69 N -3.91 -0.06 0.39 3.54 2.56 -1.26 -5.14 118.70 114.83 3fku s GLU 69 Ca 0.30 0.38 0.05 0.00 0.00 0.00 0.00 54.97 55.70 3fku s GLU 69 Cb 0.06 -0.44 -0.06 0.00 2.00 0.00 0.00 34.13 35.69 3fku s GLU 69 CO 0.09 -0.30 0.03 -0.06 -0.56 0.00 0.00 175.26 174.46 3fku s PHE 70 N 2.02 2.21 0.33 5.30 0.40 -1.26 -5.15 117.98 121.83 3fku s PHE 70 Ca 0.03 -0.84 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 3fku s PHE 70 Cb -0.12 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 3fku s PHE 70 CO -0.03 0.23 0.40 1.21 0.70 0.00 0.00 175.22 177.72 3fku s ASN 71 N -3.65 5.74 0.47 1.36 3.04 -1.26 -5.01 114.94 115.63 3fku s ASN 71 Ca 0.31 -0.29 0.20 0.00 0.04 0.00 0.00 52.86 53.13 3fku s ASN 71 Cb 0.08 -1.16 1.17 0.00 -1.54 0.00 0.00 41.25 39.81 3fku s ASN 71 CO 0.15 -0.39 2.01 -1.13 -3.04 0.00 0.00 177.10 174.70 3fku h ASN 72 N 1.03 0.00 -0.20 -4.21 -0.00 -2.01 -2.86 115.58 107.34 3fku h ASN 72 Ca -0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 55.75 3fku h ASN 72 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.52 3fku h ASN 72 CO 0.55 0.18 -0.23 0.18 -0.00 0.00 0.00 177.43 178.11 3fku n LEU 73 N -3.96 3.51 -1.72 0.34 4.77 -1.26 -4.23 117.00 114.44 3fku n LEU 73 Ca -0.02 -3.77 -0.03 0.00 -0.03 0.00 0.00 56.01 52.16 3fku n LEU 73 Cb 0.26 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 40.85 3fku n LEU 73 CO 0.34 1.27 0.15 -0.62 -1.33 0.00 0.00 177.39 177.20 3fku n GLU 74 N -1.11 1.67 0.29 3.23 1.02 -1.08 -4.90 120.64 119.76 3fku n GLU 74 Ca 0.27 -3.21 0.17 0.00 -0.02 0.00 0.00 57.16 54.37 3fku n GLU 74 Cb 0.88 -1.34 0.90 0.00 -0.02 0.00 0.00 31.44 31.86 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 1.67 0.00 0.00 3.49 9.65 -1.73 -2.20 114.38 125.26 3fku h ARG 75 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3fku h ARG 75 Cb 1.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 3fku h ARG 75 CO 0.25 0.05 -1.04 2.89 2.80 0.00 0.00 179.97 184.92 3fku n ARG 76 N -3.42 0.07 -0.07 0.20 1.85 -1.26 -2.29 116.66 111.74 3fku n ARG 76 Ca -0.02 -0.02 0.11 0.00 -1.00 0.00 0.00 57.85 56.93 3fku n ARG 76 Cb 0.18 -1.51 0.14 0.00 -1.05 0.00 0.00 32.46 30.22 3fku n ARG 76 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 3fku n ILE 77 N -1.59 0.20 0.09 8.89 -5.35 -1.05 -2.85 119.36 117.71 3fku n ILE 77 Ca 0.03 -0.60 -0.23 0.00 -0.27 0.00 0.00 62.75 61.69 3fku n ILE 77 Cb 0.36 1.28 -0.15 0.00 -1.74 0.00 0.00 39.64 39.38 3fku n ILE 77 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3fku h GLU 78 N 4.35 0.41 0.00 6.28 4.81 -1.44 -2.98 114.58 126.02 3fku h GLU 78 Ca 0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 3fku h GLU 78 Cb 0.94 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3fku h GLU 78 CO 0.00 1.34 0.00 -0.97 -0.73 0.00 0.00 179.01 178.65 3fku h ASN 79 N -0.05 0.00 0.22 1.04 -1.24 -1.58 -1.76 115.58 112.21 3fku h ASN 79 Ca -0.26 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3fku h ASN 79 Cb 1.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.03 3fku h ASN 79 CO 0.20 0.00 -0.11 0.25 -1.29 0.00 0.00 177.43 176.48 3fku h LEU 80 N 0.00 -0.25 -0.99 0.34 6.46 -1.61 -2.94 115.31 116.31 3fku h LEU 80 Ca 0.00 -0.13 0.20 0.00 -0.12 0.00 0.00 57.88 57.83 3fku h LEU 80 Cb 0.65 0.06 -0.19 0.00 -0.73 0.00 0.00 40.66 40.46 3fku h LEU 80 CO 0.00 0.26 -0.26 -3.20 -0.62 0.00 0.00 178.44 174.62 3fku n ASN 81 N -4.97 -0.37 0.24 1.25 5.15 -1.12 -1.91 115.26 113.53 3fku n ASN 81 Ca -0.05 1.70 -0.16 0.00 -0.60 0.00 0.00 54.58 55.47 3fku n ASN 81 Cb 0.18 -0.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.85 3fku n ASN 81 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3fku h LYS 82 N 0.00 -0.65 0.00 1.20 1.63 -1.38 -2.37 116.57 115.01 3fku h LYS 82 Ca 0.47 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.30 3fku h LYS 82 Cb 0.71 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3fku h LYS 82 CO -1.02 -0.43 -0.04 0.87 -3.45 0.00 0.00 179.45 175.39 3fku h LYS 83 N -0.67 0.00 0.26 1.90 1.79 -1.19 -1.66 116.57 117.00 3fku h LYS 83 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3fku h LYS 83 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3fku h LYS 83 CO 0.02 0.04 -0.12 1.98 -1.08 0.00 0.00 179.45 180.28 3fku h MET 84 N 0.00 -0.34 -0.62 3.15 4.05 -0.85 0.25 114.93 120.57 3fku h MET 84 Ca -0.00 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.57 3fku h MET 84 Cb 0.24 0.08 -0.12 0.00 -0.80 0.00 0.00 31.60 31.00 3fku h MET 84 CO 0.00 -0.22 -0.16 0.93 0.23 0.00 0.00 176.91 177.69 3fku h GLU 85 N -0.63 -0.01 0.00 0.39 5.08 -1.38 0.70 114.58 118.73 3fku h GLU 85 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fku h GLU 85 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3fku h GLU 85 CO 0.06 -0.00 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.61 3fku h ASP 86 N -0.01 0.00 -0.03 1.42 3.45 -1.37 -0.84 116.42 119.03 3fku h ASP 86 Ca 0.30 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.65 3fku h ASP 86 Cb 0.46 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3fku h ASP 86 CO -0.65 0.02 -0.39 1.23 -1.57 0.00 0.00 179.24 177.88 3fku h GLY 87 N 0.26 0.36 0.71 2.75 0.00 0.26 -3.00 103.07 104.41 3fku h GLY 87 Ca -0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3fku h GLY 87 CO 0.00 0.51 -0.31 0.74 0.00 0.00 0.00 176.54 177.48 3fku h PHE 88 N -0.21 0.47 -0.99 5.60 0.05 -0.75 -1.76 116.94 119.36 3fku h PHE 88 Ca -0.04 -0.20 0.04 0.00 3.82 0.00 0.00 57.97 61.59 3fku h PHE 88 Cb 1.09 -0.08 -0.06 0.00 2.00 0.00 0.00 35.95 38.90 3fku h PHE 88 CO 0.15 0.92 0.65 -0.07 -0.18 0.00 0.00 178.31 179.78 3fku h LEU 89 N -0.11 1.07 -0.83 1.54 3.38 -1.33 0.62 115.31 119.65 3fku h LEU 89 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fku h LEU 89 Cb 0.94 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3fku h LEU 89 CO 0.07 0.72 0.39 0.44 0.09 0.00 0.00 178.44 180.15 3fku h ASP 90 N 1.24 1.09 -0.02 -0.43 3.32 -1.53 -0.74 116.42 119.34 3fku h ASP 90 Ca 0.40 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3fku h ASP 90 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3fku h ASP 90 CO -0.13 0.93 -0.04 0.58 -1.72 0.00 0.00 179.24 178.86 3fku h VAL 91 N 1.18 1.43 0.00 -1.35 2.07 -0.18 -2.59 116.25 116.81 3fku h VAL 91 Ca 0.28 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3fku h VAL 91 Cb 0.13 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3fku h VAL 91 CO -0.03 0.35 0.00 -0.50 0.02 0.00 0.00 177.57 177.41 3fku h TRP 92 N -0.47 0.00 0.34 1.57 4.06 0.15 -0.37 115.95 121.24 3fku h TRP 92 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3fku h TRP 92 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 3fku h TRP 92 CO 0.12 0.00 -0.16 1.15 -3.56 0.00 0.00 178.44 175.98 3fku h THR 93 N 0.00 0.46 -0.59 1.49 2.02 -1.10 -3.01 112.91 112.19 3fku h THR 93 Ca 0.00 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 66.57 3fku h THR 93 Cb 0.45 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 3fku h THR 93 CO 0.00 0.10 -0.16 0.22 0.37 0.00 0.00 175.52 176.05 3fku h TYR 94 N -0.96 -0.35 -0.06 3.16 3.20 -1.05 0.18 116.97 121.09 3fku h TYR 94 Ca -0.05 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3fku h TYR 94 Cb 0.52 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3fku h TYR 94 CO 0.03 -0.27 0.05 -0.91 -1.64 0.00 0.00 178.16 175.43 3fku h ASN 95 N -0.01 0.00 0.00 -2.11 -0.26 -1.18 0.24 115.58 112.26 3fku h ASN 95 Ca 0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.99 3fku h ASN 95 Cb 0.44 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3fku h ASN 95 CO -0.62 0.00 -0.27 0.00 -1.06 0.00 0.00 177.43 175.49 3fku h ALA 96 N 1.96 0.03 -0.99 -0.83 0.00 -0.80 -2.83 119.26 115.80 3fku h ALA 96 Ca 0.03 -0.38 0.21 0.00 0.00 0.00 0.00 54.91 54.77 3fku h ALA 96 Cb 0.12 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3fku h ALA 96 CO -0.00 0.20 0.59 0.93 0.00 0.00 0.00 179.25 180.97 3fku h GLU 97 N -1.00 0.65 0.23 0.00 5.08 -0.65 -2.11 114.58 116.78 3fku h GLU 97 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3fku h GLU 97 Cb 0.50 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3fku h GLU 97 CO -0.03 0.43 -0.11 1.25 -1.00 0.00 0.00 179.01 179.55 3fku h LEU 98 N 0.67 -0.26 -1.06 1.33 6.46 -1.10 -2.79 115.31 118.55 3fku h LEU 98 Ca 0.60 -0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.62 3fku h LEU 98 Cb 1.03 0.07 -0.13 0.00 -0.73 0.00 0.00 40.66 40.90 3fku h LEU 98 CO -0.43 0.20 0.61 0.25 -0.62 0.00 0.00 178.44 178.46 3fku h LEU 99 N -1.08 0.60 -0.09 2.25 5.85 -1.35 0.22 115.31 121.71 3fku h LEU 99 Ca -0.03 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3fku h LEU 99 Cb 0.26 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3fku h LEU 99 CO 0.05 0.03 -0.04 1.62 -0.34 0.00 0.00 178.44 179.77 3fku h VAL 100 N 0.48 1.32 -0.41 1.05 3.04 -1.48 0.44 116.25 120.69 3fku h VAL 100 Ca 0.67 -1.04 0.08 0.00 -1.01 0.00 0.00 66.70 65.40 3fku h VAL 100 Cb 1.41 1.82 -0.08 0.00 -2.01 0.00 0.00 31.29 32.43 3fku h VAL 100 CO -0.48 0.29 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.17 3fku h LEU 101 N -0.17 -0.47 -0.20 3.16 4.07 -0.35 0.19 115.31 121.56 3fku h LEU 101 Ca 0.02 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 3fku h LEU 101 Cb 0.48 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 3fku h LEU 101 CO 0.01 -0.17 0.10 0.24 -1.08 0.00 0.00 178.44 177.54 3fku h MET 102 N -0.04 0.28 0.00 1.13 2.86 -1.05 -1.64 114.93 116.48 3fku h MET 102 Ca 0.20 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3fku h MET 102 Cb 0.34 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3fku h MET 102 CO -0.44 0.30 -0.11 0.93 1.06 0.00 0.00 176.91 178.65 3fku h GLU 103 N 0.19 0.00 0.27 1.72 3.07 -0.51 -1.55 114.58 117.78 3fku h GLU 103 Ca 0.07 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3fku h GLU 103 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3fku h GLU 103 CO -0.01 0.11 -0.13 -0.91 -1.40 0.00 0.00 179.01 176.67 3fku h ASN 104 N 0.00 -0.31 -0.76 1.42 2.35 -0.48 -2.49 115.58 115.31 3fku h ASN 104 Ca -0.00 -0.23 0.17 0.00 -0.55 0.00 0.00 56.30 55.69 3fku h ASN 104 Cb 0.76 0.08 -0.14 0.00 0.05 0.00 0.00 38.32 39.08 3fku h ASN 104 CO 0.01 0.15 -0.06 -0.08 -1.65 0.00 0.00 177.43 175.80 3fku h GLU 105 N -0.86 0.06 -0.53 0.81 4.81 -0.98 -1.13 114.58 116.76 3fku h GLU 105 Ca -0.04 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3fku h GLU 105 Cb 0.51 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3fku h GLU 105 CO 0.06 0.04 0.06 0.00 -0.73 0.00 0.00 179.01 178.44 3fku h ARG 106 N 0.06 0.90 -0.74 1.92 3.08 -1.35 -3.04 114.38 115.22 3fku h ARG 106 Ca 0.40 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3fku h ARG 106 Cb 0.69 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 3fku h ARG 106 CO -0.72 0.89 0.33 1.15 -1.07 0.00 0.00 179.97 180.56 3fku h THR 107 N 0.78 1.24 0.00 2.04 2.02 -0.75 -1.70 112.91 116.54 3fku h THR 107 Ca 0.16 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3fku h THR 107 Cb 0.44 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3fku h THR 107 CO 0.01 0.29 -0.24 -0.07 0.37 0.00 0.00 175.52 175.89 3fku h LEU 108 N 1.05 0.00 0.06 2.58 3.38 -1.27 -2.14 115.31 118.98 3fku h LEU 108 Ca 0.25 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.97 3fku h LEU 108 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fku h LEU 108 CO -0.03 0.24 -1.21 0.44 0.09 0.00 0.00 178.44 177.97 3fku h ASP 109 N 0.00 0.21 -0.56 -0.43 3.32 -1.46 -3.04 116.42 114.45 3fku h ASP 109 Ca -0.00 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3fku h ASP 109 Cb 0.44 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3fku h ASP 109 CO 0.03 1.19 0.29 0.15 -1.72 0.00 0.00 179.24 179.18 3fku h PHE 110 N 0.04 0.53 -0.13 4.55 3.57 -0.67 0.20 116.94 125.02 3fku h PHE 110 Ca -0.11 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 3fku h PHE 110 Cb 1.89 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 3fku h PHE 110 CO 0.03 0.25 -0.37 0.45 -2.23 0.00 0.00 178.31 176.44 3fku h HIS 111 N 0.55 0.31 0.02 0.41 3.86 -1.54 -1.38 115.15 117.38 3fku h HIS 111 Ca 0.25 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3fku h HIS 111 Cb 0.16 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3fku h HIS 111 CO -0.10 0.61 -0.07 0.22 0.86 0.00 0.00 177.93 179.45 3fku h ASP 112 N 0.23 -0.19 -0.40 2.45 1.82 -1.12 -2.15 116.42 117.07 3fku h ASP 112 Ca 0.03 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 3fku h ASP 112 Cb 0.77 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 3fku h ASP 112 CO 0.06 -0.10 0.25 0.28 -1.61 0.00 0.00 179.24 178.11 3fku h SER 113 N -0.13 0.41 -0.86 2.28 0.02 -0.44 -2.53 113.55 112.30 3fku h SER 113 Ca 0.02 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3fku h SER 113 Cb 0.15 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 3fku h SER 113 CO -0.05 0.29 0.56 0.78 -1.14 0.00 0.00 176.83 177.27 3fku h ASN 114 N 0.50 0.90 0.06 3.07 2.35 -1.11 0.31 115.58 121.66 3fku h ASN 114 Ca 0.15 -0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.70 3fku h ASN 114 Cb -0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.15 3fku h ASN 114 CO -0.06 0.60 -0.73 0.58 -1.65 0.00 0.00 177.43 176.18 3fku h VAL 115 N 1.03 1.33 -0.17 2.81 2.07 -1.24 -2.01 116.25 120.07 3fku h VAL 115 Ca 0.35 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.76 3fku h VAL 115 Cb 0.10 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3fku h VAL 115 CO -0.12 0.63 -0.23 0.50 0.02 0.00 0.00 177.57 178.37 3fku h LYS 116 N 0.41 0.46 0.00 1.57 3.11 -1.12 -2.75 116.57 118.26 3fku h LYS 116 Ca -0.03 -0.26 -0.03 0.00 -2.81 0.00 0.00 60.65 57.51 3fku h LYS 116 Cb 1.32 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.57 3fku h LYS 116 CO 0.14 0.85 -0.15 -0.91 -2.81 0.00 0.00 179.45 176.57 3fku h ASN 117 N 0.10 0.00 -0.00 4.20 2.35 -0.42 -2.83 115.58 118.98 3fku h ASN 117 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3fku h ASN 117 Cb 0.79 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 3fku h ASN 117 CO 0.05 0.15 -0.00 0.25 -1.65 0.00 0.00 177.43 176.23 3fku h LEU 118 N 0.00 0.00 -1.99 1.61 5.85 -1.39 -3.08 115.31 116.31 3fku h LEU 118 Ca -0.00 -0.52 0.28 0.00 0.84 0.00 0.00 57.88 58.49 3fku h LEU 118 Cb 0.66 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3fku h LEU 118 CO 0.02 0.52 0.70 0.22 -0.34 0.00 0.00 178.44 179.56 3fku h TYR 119 N -0.52 0.01 0.00 1.25 3.20 -1.27 -1.26 116.97 118.39 3fku h TYR 119 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3fku h TYR 119 Cb 0.52 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3fku h TYR 119 CO 0.11 0.00 -0.94 -0.44 -1.64 0.00 0.00 178.16 175.25 3fku h ASP 120 N 0.01 0.00 0.21 -2.11 5.19 -1.52 -2.70 116.42 115.50 3fku h ASP 120 Ca 0.47 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.76 3fku h ASP 120 Cb 1.86 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.35 3fku h ASP 120 CO -0.01 0.00 -0.45 0.50 -3.12 0.00 0.00 179.24 176.17 3fku h LYS 121 N 0.00 0.29 -0.11 3.56 3.64 -1.14 -1.17 116.57 121.64 3fku h LYS 121 Ca -0.00 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.02 3fku h LYS 121 Cb 1.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3fku h LYS 121 CO 0.00 0.68 -0.79 0.28 -2.27 0.00 0.00 179.45 177.35 3fku h VAL 122 N 0.24 1.31 -0.36 2.00 2.07 -1.57 -2.80 116.25 117.15 3fku h VAL 122 Ca 0.02 -2.07 -0.15 0.00 0.82 0.00 0.00 66.70 65.32 3fku h VAL 122 Cb 0.88 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3fku h VAL 122 CO 0.07 0.64 -0.38 -0.09 0.02 0.00 0.00 177.57 177.83 3fku h ARG 123 N 0.44 0.85 -0.46 1.57 2.43 -1.40 -0.56 114.38 117.24 3fku h ARG 123 Ca -0.05 -0.44 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 3fku h ARG 123 Cb 1.41 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 3fku h ARG 123 CO 0.15 1.08 0.11 -0.07 -1.51 0.00 0.00 179.97 179.73 3fku h LEU 124 N 0.70 0.70 0.55 3.80 3.38 -1.30 -3.25 115.31 119.88 3fku h LEU 124 Ca 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3fku h LEU 124 Cb 0.95 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.53 3fku h LEU 124 CO 0.09 0.75 -0.26 1.56 0.09 0.00 0.00 178.44 180.67 3fku h GLN 125 N 0.62 -0.71 -4.93 1.13 4.20 -1.40 -3.36 115.11 110.65 3fku h GLN 125 Ca 0.14 0.05 -0.68 0.00 0.06 0.00 0.00 58.65 58.22 3fku h GLN 125 Cb 0.33 0.16 -0.18 0.00 0.30 0.00 0.00 27.48 28.09 3fku h GLN 125 CO 0.00 -0.45 0.30 -0.51 -0.67 0.00 0.00 178.83 177.50 3fku s LEU 126 N -10.00 5.08 0.00 1.46 1.43 -0.23 -4.84 118.68 111.58 3fku s LEU 126 Ca -0.17 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 3fku s LEU 126 Cb 0.04 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3fku s LEU 126 CO 0.61 -1.21 0.00 0.54 0.23 0.00 0.00 176.35 176.52 3fku n ARG 127 N 6.74 0.00 -0.54 1.70 1.74 -1.23 -4.54 116.66 120.52 3fku n ARG 127 Ca -0.05 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.11 3fku n ARG 127 Cb 0.44 -0.02 0.29 0.00 -1.02 0.00 0.00 32.46 32.15 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 4.30 0.16 0.55 5.68 -1.26 -4.25 116.55 121.73 3fku n ASP 128 Ca 0.00 -2.87 0.03 0.00 -0.50 0.00 0.00 54.79 51.45 3fku n ASP 128 Cb 0.00 -0.55 0.25 0.00 -1.14 0.00 0.00 41.12 39.68 3fku n ASP 128 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3fku h ASN 129 N 2.50 0.00 -4.24 -1.12 2.35 -1.93 -3.46 115.58 109.68 3fku h ASN 129 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 3fku h ASN 129 Cb 1.51 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.67 3fku h ASN 129 CO 0.27 0.48 -0.78 0.00 -1.65 0.00 0.00 177.43 175.74 3fku s ALA 130 N -3.52 1.46 -0.13 -0.83 0.00 -1.26 -2.44 121.76 115.03 3fku s ALA 130 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 3fku s ALA 130 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3fku s ALA 130 CO 0.72 0.20 0.45 0.21 0.00 0.00 0.00 175.76 177.34 3fku s LYS 131 N -2.10 4.31 -0.57 0.00 2.20 0.34 -4.87 119.74 119.06 3fku s LYS 131 Ca 0.04 0.39 -0.22 0.00 -0.36 0.00 0.00 55.97 55.83 3fku s LYS 131 Cb -0.08 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.85 3fku s LYS 131 CO 0.03 0.14 0.83 -2.00 -0.36 0.00 0.00 175.35 173.99 3fku s GLU 132 N 0.70 3.18 0.04 4.03 2.12 -1.26 -0.59 118.70 126.92 3fku s GLU 132 Ca 0.24 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.63 3fku s GLU 132 Cb -0.15 -4.14 -0.14 0.00 0.26 0.00 0.00 34.13 29.96 3fku s GLU 132 CO 0.09 -1.51 1.43 1.25 -0.54 0.00 0.00 175.26 175.99 3fku h LEU 133 N 10.60 0.25 0.00 2.70 5.85 -1.81 -3.48 115.31 129.41 3fku h LEU 133 Ca -0.28 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3fku h LEU 133 Cb 1.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3fku h LEU 133 CO 1.08 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 180.34 3fku n GLY 134 N -0.13 1.82 1.14 3.75 0.00 -1.26 -4.99 105.19 105.52 3fku n GLY 134 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 3.28 0.00 1.61 0.23 -1.26 -4.80 115.26 114.32 3fku n ASN 135 Ca 0.00 -2.37 0.00 0.00 -0.53 0.00 0.00 54.58 51.68 3fku n ASN 135 Cb 0.00 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.19 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 0.61 0.95 3.45 4.83 0.00 -1.25 -4.43 105.19 109.36 3fku n GLY 136 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3fku n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku s PHE 138 N -1.90 1.93 -0.15 0.00 0.40 -1.26 -2.09 117.98 114.91 3fku s PHE 138 Ca 0.24 -0.96 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 3fku s PHE 138 Cb -0.07 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 3fku s PHE 138 CO 0.12 -0.52 0.24 -1.83 0.70 0.00 0.00 175.22 173.92 3fku s GLU 139 N 1.19 4.10 0.44 0.44 -1.05 0.24 -4.88 118.70 119.18 3fku s GLU 139 Ca -0.03 0.00 -0.20 0.00 -0.15 0.00 0.00 54.97 54.60 3fku s GLU 139 Cb -0.14 -3.38 -0.10 0.00 -0.44 0.00 0.00 34.13 30.07 3fku s GLU 139 CO -0.04 0.36 0.95 -0.06 0.95 0.00 0.00 175.26 177.41 3fku s PHE 140 N 0.12 3.34 -0.07 4.83 0.40 -1.26 0.13 117.98 125.47 3fku s PHE 140 Ca 0.14 1.57 0.05 0.00 -0.60 0.00 0.00 56.93 58.10 3fku s PHE 140 Cb -0.13 -2.83 -0.24 0.00 0.51 0.00 0.00 43.02 40.34 3fku s PHE 140 CO 0.03 -0.15 0.55 0.66 0.70 0.00 0.00 175.22 177.01 3fku n TYR 141 N -0.80 1.10 -3.62 0.36 0.53 -1.02 -4.85 117.16 108.85 3fku n TYR 141 Ca 0.07 0.32 -0.36 0.00 -1.02 0.00 0.00 57.90 56.91 3fku n TYR 141 Cb 0.54 -1.18 -0.07 0.00 -1.03 0.00 0.00 39.34 37.60 3fku n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 3fku s HIS 142 N -2.58 3.47 -0.44 -0.72 -3.43 -1.26 -4.87 115.29 105.46 3fku s HIS 142 Ca -0.11 0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 54.41 3fku s HIS 142 Cb 0.07 -2.25 -0.02 0.00 -1.43 0.00 0.00 32.58 28.95 3fku s HIS 142 CO 0.80 0.32 1.87 -1.59 -2.00 0.00 0.00 174.74 174.15 3fku s LYS 143 N 0.21 2.99 -0.32 -0.38 -2.85 -1.26 -4.94 119.74 113.19 3fku s LYS 143 Ca 0.14 1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 56.15 3fku s LYS 143 Cb -0.12 -4.30 -0.01 0.00 -2.06 0.00 0.00 37.83 31.34 3fku s LYS 143 CO 0.03 -2.27 0.19 0.00 0.10 0.00 0.00 175.35 173.39 3fku n ASP 145 N 5.03 0.43 0.19 0.00 3.85 -1.26 -4.68 116.55 120.12 3fku n ASP 145 Ca -0.13 -1.38 0.17 0.00 -0.71 0.00 0.00 54.79 52.74 3fku n ASP 145 Cb 0.50 -0.24 0.81 0.00 -1.35 0.00 0.00 41.12 40.84 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 -0.25 0.00 0.36 -1.12 -0.26 -1.97 0.81 115.58 113.15 3fku h ASN 146 Ca -0.12 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.30 3fku h ASN 146 Cb 0.43 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.71 3fku h ASN 146 CO 0.12 0.00 -1.50 -0.08 -1.06 0.00 0.00 177.43 174.91 3fku h GLU 147 N 0.00 0.41 0.00 0.81 4.81 -2.00 -3.03 114.58 115.58 3fku h GLU 147 Ca 0.09 -0.70 -0.18 0.00 -0.13 0.00 0.00 59.36 58.45 3fku h GLU 147 Cb 0.51 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3fku h GLU 147 CO -0.00 1.32 -0.82 0.00 -0.73 0.00 0.00 179.01 178.78 3fku h MET 149 N 0.03 -0.33 -0.90 0.00 2.86 -0.95 -2.46 114.93 113.18 3fku h MET 149 Ca -0.02 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 3fku h MET 149 Cb 1.43 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 33.10 3fku h MET 149 CO 0.11 -0.15 0.59 1.49 1.06 0.00 0.00 176.91 180.02 3fku h GLU 150 N -0.45 0.42 -0.51 1.72 4.22 -1.61 0.25 114.58 118.61 3fku h GLU 150 Ca -0.04 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.30 3fku h GLU 150 Cb 0.34 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3fku h GLU 150 CO 0.06 0.28 -0.00 0.66 -2.18 0.00 0.00 179.01 177.82 3fku h SER 151 N 0.43 0.89 -0.56 1.04 4.64 -1.53 -0.62 113.55 117.84 3fku h SER 151 Ca 0.47 -0.31 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 3fku h SER 151 Cb 1.14 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3fku h SER 151 CO -0.18 0.98 0.37 0.58 -0.87 0.00 0.00 176.83 177.71 3fku h VAL 152 N 0.78 0.96 0.00 0.95 2.07 -0.11 -0.99 116.25 119.91 3fku h VAL 152 Ca 0.15 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3fku h VAL 152 Cb 0.53 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3fku h VAL 152 CO 0.03 0.09 -0.47 -0.09 0.02 0.00 0.00 177.57 177.14 3fku h ARG 153 N 0.47 0.00 0.00 1.57 2.43 -0.48 -3.34 114.38 115.04 3fku h ARG 153 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3fku h ARG 153 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3fku h ARG 153 CO -0.07 0.75 0.00 0.27 -1.51 0.00 0.00 179.97 179.41 3fku n ASN 154 N -4.58 0.00 -0.14 -3.80 6.94 -0.30 -4.87 115.26 108.52 3fku n ASN 154 Ca -0.16 -0.83 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 3fku n ASN 154 Cb 0.45 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.49 0.90 2.63 4.83 0.00 -1.20 -5.00 105.19 107.84 3fku n GLY 155 Ca 0.16 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.55 1.22 -2.57 2.61 -2.24 -0.44 -5.07 114.28 105.24 3fku n THR 156 Ca 0.00 -3.36 -0.33 0.00 -2.27 0.00 0.00 64.05 58.09 3fku n THR 156 Cb 0.35 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 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 -3.20 3.19 -0.19 4.78 5.04 -0.81 -4.68 117.35 121.48 3fku s TYR 157 Ca 0.31 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.51 3fku s TYR 157 Cb 0.45 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.86 3fku s TYR 157 CO 0.00 -0.51 -0.12 0.34 -1.34 0.00 0.00 175.55 173.92 3fku s ASP 158 N -2.31 3.26 -0.08 4.32 -1.08 -1.26 -5.02 116.67 114.50 3fku s ASP 158 Ca 0.64 -0.80 -0.21 0.00 -0.52 0.00 0.00 52.55 51.65 3fku s ASP 158 Cb -0.12 -1.25 -0.18 0.00 -1.46 0.00 0.00 42.92 39.91 3fku s ASP 158 CO 0.21 -0.12 0.78 0.22 0.52 0.00 0.00 175.17 176.78 3fku h TYR 159 N 7.98 -0.09 -0.31 -5.34 5.03 -1.97 -3.35 116.97 118.92 3fku h TYR 159 Ca -0.31 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.09 3fku h TYR 159 Cb 1.11 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 3fku h TYR 159 CO 0.50 0.48 0.58 -1.35 -1.32 0.00 0.00 178.16 177.05 3fku h PRO 160 N -0.88 0.00 0.00 1.82 0.11 -2.00 -1.25 132.00 129.81 3fku h PRO 160 Ca -0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3fku h PRO 160 Cb 0.61 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.72 3fku h PRO 160 CO 0.02 0.00 -0.39 0.37 -0.21 0.00 0.00 178.00 177.79 3fku h GLN 161 N 0.00 0.26 -0.73 1.05 4.15 -2.03 -3.34 115.11 114.48 3fku h GLN 161 Ca 0.15 -0.28 -0.42 0.00 0.77 0.00 0.00 58.65 58.86 3fku h GLN 161 Cb 1.31 0.08 -0.24 0.00 0.21 0.00 0.00 27.48 28.84 3fku h GLN 161 CO -0.00 1.00 0.28 0.66 -1.93 0.00 0.00 178.83 178.84 3fku n TYR 162 N -4.39 2.31 -0.06 3.99 4.02 -0.49 -4.64 117.16 117.90 3fku n TYR 162 Ca -0.10 -1.99 -0.02 0.00 -0.01 0.00 0.00 57.90 55.78 3fku n TYR 162 Cb 0.57 -0.81 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 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 1.26 0.00 0.59 7.72 4.64 -1.62 -2.79 113.55 123.35 3fku h SER 163 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3fku h SER 163 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 3fku h SER 163 CO 0.88 0.59 0.00 -1.84 -0.87 0.00 0.00 176.83 175.60 3fku n GLU 164 N -4.66 0.11 0.09 4.77 -0.00 -1.26 -1.51 120.64 118.18 3fku n GLU 164 Ca -0.03 0.36 -0.23 0.00 -0.00 0.00 0.00 57.16 57.26 3fku n GLU 164 Cb 0.11 -1.71 -0.15 0.00 -0.00 0.00 0.00 31.44 29.69 3fku n GLU 164 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3fku h GLU 165 N 0.00 0.42 0.00 3.44 4.81 -1.85 -3.04 114.58 118.37 3fku h GLU 165 Ca 0.00 -0.72 -0.00 0.00 -0.13 0.00 0.00 59.36 58.51 3fku h GLU 165 Cb 0.30 0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3fku h GLU 165 CO 0.00 1.34 -0.00 0.00 -0.73 0.00 0.00 179.01 179.62 3fku h ALA 166 N 0.10 -0.00 -0.30 2.92 0.00 -0.98 -2.63 119.26 118.37 3fku h ALA 166 Ca -0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fku h ALA 166 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3fku h ALA 166 CO 0.20 -0.45 0.00 2.89 0.00 0.00 0.00 179.25 181.90 3fku n ARG 167 N -5.04 1.71 0.16 0.00 -4.01 -0.73 -1.58 116.66 107.18 3fku n ARG 167 Ca -0.07 -1.11 0.00 0.00 -1.04 0.00 0.00 57.85 55.63 3fku n ARG 167 Cb 0.08 -1.25 0.24 0.00 -3.04 0.00 0.00 32.46 28.49 3fku n ARG 167 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 3fku h LEU 168 N 1.82 0.00 0.03 2.89 5.85 -1.34 -2.71 115.31 121.85 3fku h LEU 168 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 3fku h LEU 168 Cb 0.42 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3fku h LEU 168 CO 0.00 0.53 -1.68 1.17 -0.34 0.00 0.00 178.44 178.12 3fku n LYS 169 N -3.85 0.61 -0.06 1.25 0.00 -0.88 -4.28 118.16 110.94 3fku n LYS 169 Ca -0.01 0.44 0.15 0.00 0.00 0.00 0.00 58.31 58.89 3fku n LYS 169 Cb 0.55 -1.69 0.56 0.00 0.00 0.00 0.00 35.03 34.45 3fku n LYS 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fku h ARG 170 N -0.73 0.26 -0.13 1.64 3.08 -1.39 -2.11 114.38 115.00 3fku h ARG 170 Ca -0.43 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.45 3fku h ARG 170 Cb 1.54 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 3fku h ARG 170 CO -0.18 0.17 -0.56 1.49 -1.07 0.00 0.00 179.97 179.83 3fku h GLU 171 N 0.27 0.39 0.16 0.04 4.81 -1.68 -3.28 114.58 115.29 3fku h GLU 171 Ca 0.28 -0.25 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 3fku h GLU 171 Cb 0.74 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.16 3fku h GLU 171 CO -0.06 0.85 -1.29 1.05 -0.73 0.00 0.00 179.01 178.83 3fku h GLU 172 N 0.30 0.34 -0.68 1.92 -0.00 -1.57 -3.29 114.58 111.61 3fku h GLU 172 Ca 0.00 -0.59 0.09 0.00 -0.00 0.00 0.00 59.36 58.87 3fku h GLU 172 Cb 1.07 0.22 -0.04 0.00 -0.00 0.00 0.00 28.75 30.00 3fku h GLU 172 CO 0.10 1.28 0.45 -0.84 -0.00 0.00 0.00 179.01 180.00 3fku h ILE 173 N -0.18 0.93 0.00 -1.06 -0.00 -1.67 -3.53 117.51 112.00 3fku h ILE 173 Ca -0.25 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.42 3fku h ILE 173 Cb 1.85 0.32 0.00 0.00 -0.00 0.00 0.00 36.82 39.00 3fku h ILE 173 CO 0.15 0.10 0.00 -1.54 -0.00 0.00 0.00 178.15 176.86