#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku s VAL 2 N 0.00 0.70 -0.02 -0.39 -7.23 -1.26 -4.98 120.40 107.22 3fku s VAL 2 Ca 0.00 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3fku s VAL 2 Cb 0.00 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 3fku s VAL 2 CO 0.00 -0.13 1.03 -1.10 -0.31 0.00 0.00 175.10 174.60 3fku s GLN 3 N 1.78 4.49 -0.23 4.82 -1.52 -1.26 -4.93 119.66 122.82 3fku s GLN 3 Ca -0.01 1.48 -0.05 0.00 -1.95 0.00 0.00 55.36 54.83 3fku s GLN 3 Cb -0.17 -3.47 -0.02 0.00 -0.22 0.00 0.00 33.01 29.13 3fku s GLN 3 CO -0.07 -0.17 0.00 -0.51 -0.25 0.00 0.00 175.29 174.29 3fku s LEU 4 N 1.34 3.13 0.02 2.90 1.43 -1.26 -1.80 118.68 124.45 3fku s LEU 4 Ca 0.52 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3fku s LEU 4 Cb -0.22 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3fku s LEU 4 CO 0.25 -0.02 -0.12 0.68 0.23 0.00 0.00 176.35 177.37 3fku s VAL 5 N 1.49 3.22 0.00 -1.59 -7.23 -0.86 -3.98 120.40 111.45 3fku s VAL 5 Ca 0.06 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 3fku s VAL 5 Cb -0.15 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.42 3fku s VAL 5 CO -0.00 0.37 0.00 0.00 -0.31 0.00 0.00 175.10 175.16 3fku n GLN 6 N 1.56 2.10 -1.35 4.82 6.02 -1.26 0.11 117.38 129.38 3fku n GLN 6 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.54 3fku n GLN 6 Cb 0.52 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.90 3fku n GLN 6 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3fku s SER 7 N -0.85 3.83 0.76 1.08 0.15 -1.11 -4.89 113.70 112.67 3fku s SER 7 Ca 0.00 1.39 -0.11 0.00 0.70 0.00 0.00 55.95 57.93 3fku s SER 7 Cb 0.00 -2.08 0.05 0.00 -1.71 0.00 0.00 66.02 62.28 3fku s SER 7 CO 0.00 -2.40 1.08 -0.83 1.20 0.00 0.00 173.24 172.29 3fku s GLY 8 N -3.63 1.65 0.12 9.45 0.00 -1.26 -4.65 107.32 109.01 3fku s GLY 8 Ca 0.62 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 45.07 3fku s GLY 8 CO 0.56 0.41 1.67 0.00 0.00 0.00 0.00 173.10 175.73 3fku s ALA 9 N -3.03 3.76 -0.01 3.20 0.00 -1.26 -4.79 121.76 119.64 3fku s ALA 9 Ca 0.60 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.93 3fku s ALA 9 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 3fku s ALA 9 CO 0.55 -1.00 -0.04 -1.21 0.00 0.00 0.00 175.76 174.06 3fku s GLU 10 N 2.03 2.67 -0.17 0.00 2.02 -0.60 -4.96 118.70 119.68 3fku s GLU 10 Ca 0.74 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 3fku s GLU 10 Cb -0.43 -2.59 0.04 0.00 0.10 0.00 0.00 34.13 31.25 3fku s GLU 10 CO 0.33 0.62 -0.07 0.08 0.02 0.00 0.00 175.26 176.23 3fku s VAL 11 N -1.02 1.31 0.48 2.63 1.01 -1.26 -2.85 120.40 120.70 3fku s VAL 11 Ca 0.18 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3fku s VAL 11 Cb -0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3fku s VAL 11 CO 0.08 0.17 0.02 -0.54 0.00 0.00 0.00 175.10 174.83 3fku s LYS 12 N 1.55 2.12 0.16 2.72 -0.14 -0.94 -5.01 119.74 120.20 3fku s LYS 12 Ca 0.00 -2.33 0.09 0.00 -1.36 0.00 0.00 55.97 52.37 3fku s LYS 12 Cb -0.15 -1.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.54 3fku s LYS 12 CO -0.08 -0.33 -0.11 0.15 -0.76 0.00 0.00 175.35 174.21 3fku s LYS 13 N -3.84 2.00 0.59 1.68 1.02 -1.26 -2.06 119.74 117.87 3fku s LYS 13 Ca 0.12 -1.23 -0.19 0.00 0.02 0.00 0.00 55.97 54.69 3fku s LYS 13 Cb 0.03 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 3fku s LYS 13 CO 0.07 0.45 0.92 -2.30 -0.92 0.00 0.00 175.35 173.56 3fku n PRO 14 N 0.25 0.88 -1.90 -1.68 -0.02 -1.26 -3.23 135.00 128.05 3fku n PRO 14 Ca -0.12 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 3fku n PRO 14 Cb 0.55 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3fku n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fku n GLY 15 N 1.33 0.34 0.00 -1.23 0.00 0.14 -4.97 105.19 100.81 3fku n GLY 15 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3fku n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fku n SER 16 N 0.22 1.36 -3.88 1.61 3.41 -1.20 -4.63 113.62 110.51 3fku n SER 16 Ca -0.11 -0.74 -0.23 0.00 -0.26 0.00 0.00 58.87 57.52 3fku n SER 16 Cb 0.50 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.28 3fku n SER 16 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3fku s SER 17 N -0.65 1.56 0.40 4.04 0.01 -1.26 -2.82 113.70 114.98 3fku s SER 17 Ca 0.00 -0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.14 3fku s SER 17 Cb 0.00 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.63 3fku s SER 17 CO 0.00 -0.10 0.55 0.68 0.41 0.00 0.00 173.24 174.78 3fku s VAL 18 N 1.37 3.36 -0.45 3.43 -7.23 -1.26 -5.02 120.40 114.60 3fku s VAL 18 Ca -0.03 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 3fku s VAL 18 Cb -0.14 -3.15 0.18 0.00 0.56 0.00 0.00 36.38 33.84 3fku s VAL 18 CO -0.03 -0.06 0.49 0.29 -0.31 0.00 0.00 175.10 175.48 3fku n LYS 19 N -1.81 0.33 -2.66 4.82 4.76 -1.26 -4.08 118.16 118.25 3fku n LYS 19 Ca 0.05 -2.75 -0.43 0.00 -2.87 0.00 0.00 58.31 52.32 3fku n LYS 19 Cb 0.59 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 3fku n LYS 19 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fku s VAL 20 N 0.32 4.71 0.47 -0.18 1.01 -0.99 -4.89 120.40 120.84 3fku s VAL 20 Ca 0.32 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.40 3fku s VAL 20 Cb 0.03 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3fku s VAL 20 CO -0.15 -0.11 0.53 -0.94 0.00 0.00 0.00 175.10 174.44 3fku s SER 21 N 1.18 5.22 -0.26 3.32 1.04 -1.26 -1.69 113.70 121.24 3fku s SER 21 Ca 0.46 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 3fku s SER 21 Cb -0.16 -0.31 0.08 0.00 0.10 0.00 0.00 66.02 65.74 3fku s SER 21 CO 0.11 -0.89 0.64 0.00 0.98 0.00 0.00 173.24 174.08 3fku s THR 23 N 1.83 2.82 0.12 0.00 2.01 0.30 -1.35 115.64 121.37 3fku s THR 23 Ca -0.09 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 3fku s THR 23 Cb -0.07 -2.18 -0.07 0.00 0.01 0.00 0.00 72.50 70.19 3fku s THR 23 CO -0.19 0.52 0.66 -0.55 -0.69 0.00 0.00 174.62 174.37 3fku s SER 24 N 0.52 7.19 -0.02 3.53 0.15 -0.46 -2.02 113.70 122.59 3fku s SER 24 Ca -0.10 1.42 -0.20 0.00 0.70 0.00 0.00 55.95 57.77 3fku s SER 24 Cb -0.16 -2.42 -0.33 0.00 -1.71 0.00 0.00 66.02 61.40 3fku s SER 24 CO 0.04 0.24 0.93 -1.28 1.20 0.00 0.00 173.24 174.37 3fku h SER 25 N 4.39 0.60 -3.18 5.45 0.87 -1.69 -3.47 113.55 116.52 3fku h SER 25 Ca -0.49 -0.94 -0.49 0.00 -1.23 0.00 0.00 61.79 58.64 3fku h SER 25 Cb 1.21 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 3fku h SER 25 CO 0.64 1.51 -0.07 -1.83 -0.53 0.00 0.00 176.83 176.56 3fku s GLU 26 N -2.49 3.55 0.37 2.24 -1.05 -1.26 -4.98 118.70 115.08 3fku s GLU 26 Ca -0.12 -0.05 0.23 0.00 -0.15 0.00 0.00 54.97 54.89 3fku s GLU 26 Cb 0.02 -2.55 0.35 0.00 -0.44 0.00 0.00 34.13 31.51 3fku s GLU 26 CO 0.87 0.04 1.54 -0.24 0.95 0.00 0.00 175.26 178.42 3fku h VAL 27 N 0.72 0.00 -1.81 1.83 3.04 -2.04 -3.33 116.25 114.66 3fku h VAL 27 Ca -0.48 -0.92 -0.75 0.00 -1.01 0.00 0.00 66.70 63.54 3fku h VAL 27 Cb 1.21 1.83 -0.17 0.00 -2.01 0.00 0.00 31.29 32.15 3fku h VAL 27 CO 0.63 0.00 1.66 0.35 -1.01 0.00 0.00 177.57 179.20 3fku n THR 28 N -2.90 4.30 -0.05 3.17 -2.24 -1.26 -4.49 114.28 110.81 3fku n THR 28 Ca 0.04 -4.58 -0.05 0.00 -2.27 0.00 0.00 64.05 57.18 3fku n THR 28 Cb 0.52 -2.41 -0.06 0.00 -2.10 0.00 0.00 70.33 66.27 3fku n THR 28 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fku n PHE 29 N 4.84 0.00 -0.30 4.78 7.35 -1.25 -4.59 117.46 128.28 3fku n PHE 29 Ca 0.38 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 57.15 3fku n PHE 29 Cb 0.40 -0.41 0.19 0.00 0.35 0.00 0.00 39.48 40.01 3fku n PHE 29 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3fku h SER 30 N 0.00 -0.52 0.92 -2.13 4.64 -1.92 -2.93 113.55 111.62 3fku h SER 30 Ca -0.23 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3fku h SER 30 Cb 1.46 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 3fku h SER 30 CO -0.01 -0.27 0.00 -1.54 -0.87 0.00 0.00 176.83 174.15 3fku n SER 31 N -5.45 0.36 -4.45 4.97 3.41 -1.26 -2.27 113.62 108.92 3fku n SER 31 Ca 0.17 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 59.01 3fku n SER 31 Cb 0.57 -0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 3fku n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fku s PHE 32 N -3.10 2.90 -0.01 7.33 0.40 -1.11 -3.97 117.98 120.42 3fku s PHE 32 Ca 0.09 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 3fku s PHE 32 Cb 0.13 -1.86 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 3fku s PHE 32 CO 0.45 -0.05 1.45 0.00 0.70 0.00 0.00 175.22 177.76 3fku s ALA 33 N 0.15 3.60 -0.03 5.36 0.00 0.14 -4.48 121.76 126.51 3fku s ALA 33 Ca -0.04 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 3fku s ALA 33 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3fku s ALA 33 CO 0.04 -1.00 0.07 0.42 0.00 0.00 0.00 175.76 175.29 3fku s ILE 34 N 2.65 4.74 0.08 0.00 1.01 -1.03 -0.07 121.20 128.59 3fku s ILE 34 Ca 0.65 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3fku s ILE 34 Cb -0.32 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3fku s ILE 34 CO 0.27 0.42 -0.06 -0.44 0.00 0.00 0.00 174.94 175.13 3fku s SER 35 N -1.53 0.96 0.03 3.58 0.01 -0.03 -1.33 113.70 115.39 3fku s SER 35 Ca 0.21 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.58 3fku s SER 35 Cb -0.12 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 3fku s SER 35 CO 0.11 -0.44 -0.01 0.26 0.41 0.00 0.00 173.24 173.57 3fku s TRP 36 N -3.24 3.01 -0.30 2.43 0.52 -0.65 0.74 118.94 121.47 3fku s TRP 36 Ca 0.07 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.19 3fku s TRP 36 Cb 0.03 -1.61 0.18 0.00 -1.15 0.00 0.00 33.47 30.92 3fku s TRP 36 CO -0.05 0.45 0.59 0.08 0.02 0.00 0.00 176.95 178.04 3fku s VAL 37 N -1.16 -0.97 0.44 4.03 1.01 -0.92 -2.60 120.40 120.23 3fku s VAL 37 Ca 0.22 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3fku s VAL 37 Cb -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3fku s VAL 37 CO 0.13 -0.01 0.62 0.00 0.00 0.00 0.00 175.10 175.84 3fku s ARG 38 N 2.84 2.88 -0.17 2.72 1.70 -0.82 -2.50 118.95 125.60 3fku s ARG 38 Ca 0.20 -0.89 -0.08 0.00 -0.47 0.00 0.00 55.73 54.48 3fku s ARG 38 Cb -0.15 -2.66 0.06 0.00 -0.57 0.00 0.00 34.95 31.63 3fku s ARG 38 CO -0.21 -0.30 0.39 1.14 -1.08 0.00 0.00 175.30 175.25 3fku s GLN 39 N -4.45 0.35 0.69 3.89 -2.07 -0.69 -1.81 119.66 115.57 3fku s GLN 39 Ca 0.51 0.80 -0.12 0.00 -1.82 0.00 0.00 55.36 54.73 3fku s GLN 39 Cb -0.10 0.02 0.01 0.00 -1.09 0.00 0.00 33.01 31.85 3fku s GLN 39 CO 0.35 -0.18 1.07 0.00 -1.32 0.00 0.00 175.29 175.21 3fku s ALA 40 N 1.62 2.55 -0.08 2.60 0.00 -1.26 -1.21 121.76 125.99 3fku s ALA 40 Ca -0.08 0.26 -0.39 0.00 0.00 0.00 0.00 51.96 51.75 3fku s ALA 40 Cb -0.09 -3.23 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 3fku s ALA 40 CO -0.12 -1.29 1.47 -2.30 0.00 0.00 0.00 175.76 173.51 3fku n PRO 41 N -2.92 1.00 -1.82 0.00 -0.02 -1.26 -1.89 135.00 128.08 3fku n PRO 41 Ca 0.09 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 61.76 3fku n PRO 41 Cb 0.53 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 3fku n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fku n GLY 42 N 3.08 0.89 0.00 -1.23 0.00 -1.26 -4.95 105.19 101.73 3fku n GLY 42 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3fku n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fku n GLN 43 N -2.56 0.91 -1.02 1.61 6.02 -0.79 -5.19 117.38 116.35 3fku n GLN 43 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3fku n GLN 43 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 3fku n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fku n GLY 44 N 1.14 5.60 3.81 1.08 0.00 -1.26 -4.73 105.19 110.82 3fku n GLY 44 Ca 0.00 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 3fku n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 45 N 0.00 4.41 -0.14 0.99 2.01 -1.26 -4.15 118.68 120.54 3fku s LEU 45 Ca 0.00 1.47 -0.04 0.00 0.01 0.00 0.00 54.13 55.57 3fku s LEU 45 Cb 0.00 -3.48 0.07 0.00 0.01 0.00 0.00 46.19 42.79 3fku s LEU 45 CO 0.00 0.09 0.25 -0.70 1.01 0.00 0.00 176.35 176.99 3fku s GLU 46 N -1.73 0.15 -0.46 1.70 2.12 -0.75 -4.81 118.70 114.91 3fku s GLU 46 Ca 0.41 0.61 -0.27 0.00 0.36 0.00 0.00 54.97 56.07 3fku s GLU 46 Cb -0.18 -0.32 0.03 0.00 0.26 0.00 0.00 34.13 33.91 3fku s GLU 46 CO 0.22 -0.38 1.04 -0.46 -0.54 0.00 0.00 175.26 175.14 3fku s TRP 47 N 2.39 2.88 -0.01 5.30 -0.00 -1.26 -1.95 118.94 126.29 3fku s TRP 47 Ca 0.03 0.58 -0.23 0.00 -0.00 0.00 0.00 56.10 56.49 3fku s TRP 47 Cb -0.13 -4.19 -0.14 0.00 -0.00 0.00 0.00 33.47 29.01 3fku s TRP 47 CO -0.09 -1.17 1.01 -0.07 -0.00 0.00 0.00 176.95 176.63 3fku h LEU 48 N 10.87 -0.44 0.00 5.86 4.07 -1.89 -3.40 115.31 130.38 3fku h LEU 48 Ca -0.23 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3fku h LEU 48 Cb 1.07 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.92 3fku h LEU 48 CO 1.08 -0.02 0.00 0.61 -1.08 0.00 0.00 178.44 179.03 3fku n GLY 49 N -0.06 1.11 2.77 0.83 0.00 -1.24 -1.89 105.19 106.71 3fku n GLY 49 Ca -0.09 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 3fku n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 50 N 0.00 0.18 0.08 -0.02 0.00 -0.64 -1.63 107.32 105.29 3fku s GLY 50 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3fku s GLY 50 CO 0.00 0.79 0.21 -1.50 0.00 0.00 0.00 173.10 172.60 3fku s ILE 51 N 1.26 5.27 -0.54 0.90 1.10 -0.44 -1.37 121.20 127.39 3fku s ILE 51 Ca -0.07 -0.49 -0.10 0.00 -0.51 0.00 0.00 60.65 59.48 3fku s ILE 51 Cb -0.13 -3.60 0.14 0.00 0.15 0.00 0.00 42.46 39.02 3fku s ILE 51 CO -0.03 0.09 0.42 -0.55 -2.11 0.00 0.00 174.94 172.77 3fku s SER 52 N -2.63 5.85 0.41 4.50 0.15 -1.18 -2.45 113.70 118.34 3fku s SER 52 Ca 0.34 -2.08 0.13 0.00 0.70 0.00 0.00 55.95 55.05 3fku s SER 52 Cb -0.13 -2.05 0.98 0.00 -1.71 0.00 0.00 66.02 63.12 3fku s SER 52 CO 0.27 -0.67 1.94 -0.65 1.20 0.00 0.00 173.24 175.33 3fku h PRO 53 N 8.30 0.47 -0.43 5.44 0.11 -1.79 0.61 132.00 144.71 3fku h PRO 53 Ca -0.17 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.00 3fku h PRO 53 Cb 1.06 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 3fku h PRO 53 CO 0.86 0.31 -0.07 1.98 -0.21 0.00 0.00 178.00 180.87 3fku h MET 54 N 0.48 0.04 0.00 1.05 -1.53 -1.77 -3.35 114.93 109.84 3fku h MET 54 Ca 0.34 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.60 3fku h MET 54 Cb 0.67 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.71 3fku h MET 54 CO -0.11 0.02 -1.09 1.19 0.14 0.00 0.00 176.91 177.06 3fku n PHE 55 N -5.28 0.00 -1.53 1.39 3.72 0.75 -5.02 117.46 111.49 3fku n PHE 55 Ca 0.03 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 3fku n PHE 55 Cb 0.23 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 3fku n PHE 55 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fku n GLY 56 N 1.70 1.07 3.44 1.37 0.00 0.18 -4.99 105.19 107.97 3fku n GLY 56 Ca -0.01 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 3fku n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 57 N -2.50 4.74 0.40 2.61 2.01 -1.26 -4.90 115.64 116.74 3fku s THR 57 Ca 0.00 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3fku s THR 57 Cb 0.00 -4.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 3fku s THR 57 CO 0.00 -1.00 0.63 -2.16 -0.69 0.00 0.00 174.62 171.40 3fku s PRO 58 N 2.97 3.36 0.17 4.92 0.04 -1.26 -3.13 135.00 142.07 3fku s PRO 58 Ca 0.17 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.02 3fku s PRO 58 Cb -0.19 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3fku s PRO 58 CO 0.11 -0.04 -0.21 -0.80 0.04 0.00 0.00 177.00 176.10 3fku s ASN 59 N -4.10 2.94 0.15 6.66 -0.87 -0.47 -4.98 114.94 114.27 3fku s ASN 59 Ca 0.44 -0.84 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 3fku s ASN 59 Cb -0.10 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.25 40.90 3fku s ASN 59 CO 0.38 0.04 0.01 -0.31 -2.57 0.00 0.00 177.10 174.64 3fku s TYR 60 N -1.78 1.04 0.24 2.20 1.51 -1.26 -1.62 117.35 117.68 3fku s TYR 60 Ca 0.16 -1.06 -0.30 0.00 -1.01 0.00 0.00 57.07 54.86 3fku s TYR 60 Cb -0.07 -0.60 -0.09 0.00 -0.11 0.00 0.00 41.96 41.09 3fku s TYR 60 CO 0.07 -0.29 0.99 0.00 -1.11 0.00 0.00 175.55 175.21 3fku s ALA 61 N -3.77 3.35 0.29 3.71 0.00 -0.79 -4.85 121.76 119.70 3fku s ALA 61 Ca 0.21 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3fku s ALA 61 Cb 0.06 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.62 3fku s ALA 61 CO 0.01 0.07 1.62 1.96 0.00 0.00 0.00 175.76 179.42 3fku h GLN 62 N 4.22 0.10 -0.96 0.00 1.08 -1.92 0.04 115.11 117.68 3fku h GLN 62 Ca -0.45 -0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.00 3fku h GLN 62 Cb 1.20 -0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 28.48 3fku h GLN 62 CO 0.68 0.07 0.49 -0.22 -0.95 0.00 0.00 178.83 178.90 3fku h LYS 63 N 0.11 0.39 -0.92 1.46 3.64 -1.96 -2.96 116.57 116.33 3fku h LYS 63 Ca 0.55 -0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 59.40 3fku h LYS 63 Cb 1.11 -0.09 -0.42 0.00 -0.41 0.00 0.00 32.23 32.42 3fku h LYS 63 CO -0.76 0.26 -0.86 1.19 -2.27 0.00 0.00 179.45 177.01 3fku n PHE 64 N -5.03 2.63 0.29 1.91 3.72 -0.03 -4.98 117.46 115.97 3fku n PHE 64 Ca 0.27 -2.47 -0.13 0.00 -0.05 0.00 0.00 57.45 55.07 3fku n PHE 64 Cb 0.80 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 3fku n PHE 64 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3fku h GLN 65 N 2.38 -0.77 0.00 -1.08 5.75 -1.29 -3.17 115.11 116.94 3fku h GLN 65 Ca 0.26 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3fku h GLN 65 Cb 1.33 0.18 0.00 0.00 1.07 0.00 0.00 27.48 30.05 3fku h GLN 65 CO 0.69 -0.51 -1.79 0.41 -2.65 0.00 0.00 178.83 174.97 3fku n GLY 66 N -1.41 -1.03 0.07 2.39 0.00 -1.26 -4.28 105.19 99.67 3fku n GLY 66 Ca -0.10 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.49 3fku n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fku n ARG 67 N -2.16 1.10 -3.71 1.61 0.00 -1.25 -4.66 116.66 107.59 3fku n ARG 67 Ca -0.03 -0.15 -0.17 0.00 -0.00 0.00 0.00 57.85 57.51 3fku n ARG 67 Cb 0.53 -1.28 -0.17 0.00 0.00 0.00 0.00 32.46 31.55 3fku n ARG 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3fku s VAL 68 N -1.97 -0.12 -0.24 5.15 1.01 -1.20 -2.21 120.40 120.83 3fku s VAL 68 Ca 0.26 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.58 3fku s VAL 68 Cb 0.12 -0.17 0.06 0.00 0.00 0.00 0.00 36.38 36.40 3fku s VAL 68 CO 0.20 0.14 -0.04 0.42 0.00 0.00 0.00 175.10 175.82 3fku s THR 69 N 1.76 1.56 -0.07 3.92 -4.23 -1.12 -4.89 115.64 112.57 3fku s THR 69 Ca -0.01 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3fku s THR 69 Cb -0.12 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 3fku s THR 69 CO -0.04 -0.15 -0.11 0.27 -0.54 0.00 0.00 174.62 174.05 3fku s ILE 70 N 1.37 3.32 0.24 2.99 -0.00 -1.26 -3.30 121.20 124.56 3fku s ILE 70 Ca -0.05 -0.61 -0.04 0.00 -0.00 0.00 0.00 60.65 59.95 3fku s ILE 70 Cb -0.19 -2.34 -0.03 0.00 -0.00 0.00 0.00 42.46 39.91 3fku s ILE 70 CO -0.07 0.58 0.27 0.42 -0.00 0.00 0.00 174.94 176.14 3fku s THR 71 N -0.56 0.00 -0.08 8.37 -4.23 -1.03 -4.81 115.64 113.30 3fku s THR 71 Ca 0.08 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 3fku s THR 71 Cb -0.12 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.34 3fku s THR 71 CO 0.02 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.26 3fku s ALA 72 N -3.96 -0.30 -0.50 3.99 0.00 -1.26 0.45 121.76 120.18 3fku s ALA 72 Ca 0.34 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 3fku s ALA 72 Cb 0.04 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.63 3fku s ALA 72 CO 0.13 -0.26 0.74 0.34 0.00 0.00 0.00 175.76 176.71 3fku s ASP 73 N 1.45 6.30 0.24 0.00 3.68 -1.05 -4.93 116.67 122.36 3fku s ASP 73 Ca -0.06 -0.54 -0.05 0.00 2.13 0.00 0.00 52.55 54.03 3fku s ASP 73 Cb -0.12 -2.35 0.37 0.00 -1.45 0.00 0.00 42.92 39.38 3fku s ASP 73 CO -0.06 -0.97 1.81 1.56 0.13 0.00 0.00 175.17 177.64 3fku h GLN 74 N 9.06 0.75 -0.47 4.34 4.20 -1.85 -2.88 115.11 128.27 3fku h GLN 74 Ca -0.26 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.46 3fku h GLN 74 Cb 1.09 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3fku h GLN 74 CO 0.98 0.49 0.31 1.03 -0.67 0.00 0.00 178.83 180.98 3fku h SER 75 N 0.77 0.36 0.00 1.46 0.87 -1.96 -3.10 113.55 111.94 3fku h SER 75 Ca 0.38 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3fku h SER 75 Cb 0.34 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3fku h SER 75 CO -0.24 0.24 -0.23 0.35 -0.53 0.00 0.00 176.83 176.42 3fku n THR 76 N -4.48 1.88 -4.15 2.23 -2.24 -1.10 -5.02 114.28 101.41 3fku n THR 76 Ca 0.06 -2.50 -0.35 0.00 -2.27 0.00 0.00 64.05 59.00 3fku n THR 76 Cb 0.23 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 3fku n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fku n ARG 77 N -1.21 -1.16 -4.46 -0.78 1.74 -1.14 -4.88 116.66 104.77 3fku n ARG 77 Ca 0.16 0.16 -0.23 0.00 -0.77 0.00 0.00 57.85 57.17 3fku n ARG 77 Cb 0.67 -3.47 -0.10 0.00 -1.02 0.00 0.00 32.46 28.54 3fku n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3fku s THR 78 N -4.01 2.13 -0.28 0.55 2.01 -1.19 -1.36 115.64 113.48 3fku s THR 78 Ca 0.17 -2.27 -0.01 0.00 0.31 0.00 0.00 61.69 59.90 3fku s THR 78 Cb -0.09 -2.37 0.14 0.00 0.01 0.00 0.00 72.50 70.19 3fku s THR 78 CO 0.96 -0.37 0.31 0.00 -0.69 0.00 0.00 174.62 174.84 3fku s ALA 79 N -2.71 -0.61 0.55 7.40 0.00 -0.45 -2.54 121.76 123.39 3fku s ALA 79 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 3fku s ALA 79 Cb -0.01 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3fku s ALA 79 CO 0.13 -1.63 0.83 0.71 0.00 0.00 0.00 175.76 175.80 3fku s TYR 80 N 2.40 3.26 -0.30 0.00 1.51 0.17 -3.18 117.35 121.21 3fku s TYR 80 Ca 0.09 0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 56.65 3fku s TYR 80 Cb -0.14 -2.61 0.18 0.00 -0.11 0.00 0.00 41.96 39.29 3fku s TYR 80 CO -0.29 -0.68 0.67 1.41 -1.11 0.00 0.00 175.55 175.55 3fku s MET 81 N -4.86 0.52 0.22 -0.62 1.75 -0.68 -2.47 119.30 113.16 3fku s MET 81 Ca 0.52 0.98 0.07 0.00 -1.25 0.00 0.00 55.69 56.02 3fku s MET 81 Cb -0.10 0.55 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 3fku s MET 81 CO 0.43 -0.51 0.09 0.16 -0.65 0.00 0.00 175.02 174.54 3fku s ASP 82 N 2.86 5.10 -0.05 1.11 1.47 -1.21 -2.34 116.67 123.62 3fku s ASP 82 Ca 0.15 -0.36 -0.02 0.00 1.18 0.00 0.00 52.55 53.50 3fku s ASP 82 Cb -0.14 -1.18 0.03 0.00 -0.34 0.00 0.00 42.92 41.29 3fku s ASP 82 CO -0.20 0.02 0.08 -1.48 0.68 0.00 0.00 175.17 174.28 3fku s LEU 83 N -3.43 0.14 1.02 2.11 2.34 -1.26 -2.78 118.68 116.82 3fku s LEU 83 Ca 0.31 0.13 -0.14 0.00 0.06 0.00 0.00 54.13 54.49 3fku s LEU 83 Cb -0.08 -0.06 0.20 0.00 -0.56 0.00 0.00 46.19 45.69 3fku s LEU 83 CO 0.22 -0.24 1.11 -0.13 -1.06 0.00 0.00 176.35 176.25 3fku s ARG 84 N 2.14 0.29 -1.41 1.48 3.00 -0.94 -4.03 118.95 119.48 3fku s ARG 84 Ca 0.04 0.31 -0.11 0.00 0.00 0.00 0.00 55.73 55.97 3fku s ARG 84 Cb -0.12 -1.74 0.08 0.00 0.00 0.00 0.00 34.95 33.18 3fku s ARG 84 CO -0.04 -2.78 0.64 0.45 0.00 0.00 0.00 175.30 173.57 3fku n SER 85 N -4.17 -4.03 -4.76 0.23 2.88 -1.13 -4.88 113.62 97.76 3fku n SER 85 Ca 0.07 -0.55 -0.41 0.00 -1.33 0.00 0.00 58.87 56.65 3fku n SER 85 Cb 0.58 -3.29 -0.03 0.00 -0.75 0.00 0.00 64.21 60.72 3fku n SER 85 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3fku s LEU 86 N -6.77 4.47 0.00 2.46 0.05 -1.18 -4.65 118.68 113.05 3fku s LEU 86 Ca 0.50 2.45 0.00 0.00 0.05 0.00 0.00 54.13 57.13 3fku s LEU 86 Cb -0.26 -3.63 0.00 0.00 -2.05 0.00 0.00 46.19 40.25 3fku s LEU 86 CO 0.62 -0.39 0.00 0.54 -0.55 0.00 0.00 176.35 176.56 3fku n ARG 87 N 1.51 1.52 0.23 1.48 1.74 -1.26 0.27 116.66 122.15 3fku n ARG 87 Ca 0.01 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 3fku n ARG 87 Cb 0.43 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.79 3fku n ARG 87 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fku h SER 88 N 0.00 -0.48 0.21 0.55 0.87 -1.94 -3.17 113.55 109.60 3fku h SER 88 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3fku h SER 88 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3fku h SER 88 CO 0.00 -0.23 0.00 1.21 -0.53 0.00 0.00 176.83 177.28 3fku n GLU 89 N -5.28 0.47 -0.01 2.24 0.00 -1.26 -2.34 120.64 114.46 3fku n GLU 89 Ca -0.11 0.05 0.14 0.00 0.00 0.00 0.00 57.16 57.24 3fku n GLU 89 Cb 0.27 -1.50 0.69 0.00 0.00 0.00 0.00 31.44 30.90 3fku n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3fku n ASP 90 N -1.16 0.78 -4.71 4.31 10.43 -1.20 -4.89 116.55 120.11 3fku n ASP 90 Ca 0.13 -1.31 -0.42 0.00 2.57 0.00 0.00 54.79 55.76 3fku n ASP 90 Cb 0.12 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 3fku n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3fku s THR 91 N -1.98 2.39 0.00 -3.53 2.01 -0.99 -4.93 115.64 108.60 3fku s THR 91 Ca 0.41 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.57 3fku s THR 91 Cb 0.20 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.61 3fku s THR 91 CO 0.33 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 3fku n ALA 92 N 4.59 0.00 -1.77 7.40 0.00 -0.97 -4.50 120.51 125.27 3fku n ALA 92 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3fku n ALA 92 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 3fku n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fku s VAL 93 N -2.00 2.81 -0.22 0.00 1.01 -0.35 -2.16 120.40 119.50 3fku s VAL 93 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.69 3fku s VAL 93 Cb 0.00 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.04 3fku s VAL 93 CO 0.00 0.06 -0.15 -0.31 0.00 0.00 0.00 175.10 174.70 3fku s TYR 94 N -1.36 3.05 0.14 5.22 1.51 0.21 -1.70 117.35 124.42 3fku s TYR 94 Ca 0.59 -2.03 -0.02 0.00 -1.01 0.00 0.00 57.07 54.61 3fku s TYR 94 Cb -0.34 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.53 3fku s TYR 94 CO 0.43 -0.85 0.33 0.71 -1.11 0.00 0.00 175.55 175.06 3fku s TYR 95 N 1.18 3.49 -0.17 2.71 2.02 -1.04 -1.14 117.35 124.40 3fku s TYR 95 Ca -0.03 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.07 3fku s TYR 95 Cb -0.17 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3fku s TYR 95 CO -0.09 0.47 -0.18 0.00 -1.57 0.00 0.00 175.55 174.18 3fku s ALA 97 N 1.17 1.51 0.33 0.00 0.00 0.23 -1.13 121.76 123.87 3fku s ALA 97 Ca 0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 3fku s ALA 97 Cb -0.14 -1.19 -0.09 0.00 0.00 0.00 0.00 23.12 21.69 3fku s ALA 97 CO -0.08 -0.92 0.82 0.50 0.00 0.00 0.00 175.76 176.08 3fku s ARG 98 N 1.61 4.21 0.04 0.00 3.52 0.44 -0.85 118.95 127.92 3fku s ARG 98 Ca -0.01 0.94 0.04 0.00 -0.13 0.00 0.00 55.73 56.57 3fku s ARG 98 Cb -0.16 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 3fku s ARG 98 CO -0.07 0.18 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.35 3fku s SER 99 N -2.00 1.51 0.00 -2.12 0.01 0.90 -2.28 113.70 109.72 3fku s SER 99 Ca 0.53 -0.45 0.18 0.00 1.31 0.00 0.00 55.95 57.52 3fku s SER 99 Cb -0.13 -0.08 0.81 0.00 0.21 0.00 0.00 66.02 66.83 3fku s SER 99 CO 0.18 0.00 1.57 -0.81 0.41 0.00 0.00 173.24 174.59 3fku n PRO 100 N 1.88 0.08 -2.51 12.44 -0.04 -1.26 -2.97 135.00 142.62 3fku n PRO 100 Ca -0.18 0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 3fku n PRO 100 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3fku n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fku s SER 101 N -2.87 6.58 0.03 3.54 0.15 -1.26 -4.90 113.70 114.96 3fku s SER 101 Ca 0.11 1.69 0.04 0.00 0.70 0.00 0.00 55.95 58.49 3fku s SER 101 Cb 0.12 -2.53 -0.24 0.00 -1.71 0.00 0.00 66.02 61.65 3fku s SER 101 CO 0.31 -0.62 0.95 0.10 1.20 0.00 0.00 173.24 175.18 3fku h TYR 102 N 1.26 0.20 -1.77 3.44 -0.00 -1.81 0.41 116.97 118.70 3fku h TYR 102 Ca -0.48 -0.15 -0.62 0.00 -0.00 0.00 0.00 58.73 57.48 3fku h TYR 102 Cb 1.19 -0.01 -0.13 0.00 -0.00 0.00 0.00 36.73 37.78 3fku h TYR 102 CO 0.62 1.17 -0.61 -1.50 -0.00 0.00 0.00 178.16 177.84 3fku s ILE 103 N -2.64 1.97 -0.68 -0.90 2.07 -1.26 -2.84 121.20 116.91 3fku s ILE 103 Ca -0.05 -2.02 0.01 0.00 -1.41 0.00 0.00 60.65 57.18 3fku s ILE 103 Cb 0.08 -2.95 0.17 0.00 0.13 0.00 0.00 42.46 39.89 3fku s ILE 103 CO 0.84 -0.02 0.49 0.00 -1.91 0.00 0.00 174.94 174.33 3fku n SER 105 N 2.71 0.30 0.00 0.00 3.41 -1.26 -4.78 113.62 114.00 3fku n SER 105 Ca 0.13 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3fku n SER 105 Cb 0.35 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3fku n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fku n GLY 106 N -0.28 -1.25 0.11 5.00 0.00 -1.26 -5.02 105.19 102.49 3fku n GLY 106 Ca -0.05 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.12 3fku n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fku n GLY 107 N -0.06 -1.43 0.26 -0.02 0.00 -1.26 -2.90 105.19 99.78 3fku n GLY 107 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3fku n GLY 107 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fku h THR 108 N 0.00 1.24 0.00 2.61 1.35 -1.95 -3.40 112.91 112.75 3fku h THR 108 Ca 0.00 -1.04 -0.60 0.00 -0.55 0.00 0.00 66.41 64.22 3fku h THR 108 Cb 0.50 1.09 0.09 0.00 -1.73 0.00 0.00 68.15 68.10 3fku h THR 108 CO 0.00 0.35 1.91 0.00 -0.25 0.00 0.00 175.52 177.53 3fku s VAL 110 N 5.73 4.90 -0.50 0.00 -7.23 -1.26 -4.96 120.40 117.08 3fku s VAL 110 Ca 0.60 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.66 3fku s VAL 110 Cb 0.14 -3.56 0.11 0.00 0.56 0.00 0.00 36.38 33.63 3fku s VAL 110 CO 0.20 -0.17 0.42 -0.36 -0.31 0.00 0.00 175.10 174.88 3fku s PHE 111 N -1.84 3.28 -0.01 2.82 0.08 -1.26 -4.05 117.98 117.00 3fku s PHE 111 Ca 0.33 -1.28 0.08 0.00 0.12 0.00 0.00 56.93 56.18 3fku s PHE 111 Cb -0.10 -3.48 -0.23 0.00 -0.57 0.00 0.00 43.02 38.64 3fku s PHE 111 CO 0.26 -0.93 0.79 0.38 -0.10 0.00 0.00 175.22 175.62 3fku h ASP 112 N 8.74 0.07 -4.30 1.36 -0.00 -1.83 -3.42 116.42 117.03 3fku h ASP 112 Ca -0.28 -0.13 -0.48 0.00 -0.00 0.00 0.00 57.03 56.15 3fku h ASP 112 Cb 1.10 -0.02 -0.25 0.00 -0.00 0.00 0.00 39.33 40.15 3fku h ASP 112 CO 0.94 1.11 -0.80 -1.00 -0.00 0.00 0.00 179.24 179.48 3fku s HIS 113 N -2.62 1.35 0.23 4.15 3.76 -1.15 -4.51 115.29 116.51 3fku s HIS 113 Ca -0.05 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 3fku s HIS 113 Cb 0.08 -0.81 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 3fku s HIS 113 CO 0.82 0.04 -0.04 -1.58 -0.85 0.00 0.00 174.74 173.14 3fku s TRP 114 N -0.78 1.65 0.72 1.40 0.52 -1.26 -0.42 118.94 120.76 3fku s TRP 114 Ca 0.03 -0.82 -0.00 0.00 0.02 0.00 0.00 56.10 55.33 3fku s TRP 114 Cb -0.08 -0.93 0.13 0.00 -1.15 0.00 0.00 33.47 31.44 3fku s TRP 114 CO 0.01 0.08 0.99 0.20 0.02 0.00 0.00 176.95 178.25 3fku s GLY 115 N -3.33 1.76 0.41 0.98 0.00 -0.28 -4.46 107.32 102.39 3fku s GLY 115 Ca 0.27 -1.78 0.23 0.00 0.00 0.00 0.00 44.72 43.43 3fku s GLY 115 CO 0.09 -1.21 1.65 0.06 0.00 0.00 0.00 173.10 173.68 3fku h GLN 116 N -0.50 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 112.15 3fku h GLN 116 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 3fku h GLN 116 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3fku h GLN 116 CO 0.40 0.16 0.00 0.41 -0.00 0.00 0.00 178.83 179.79 3fku n GLY 117 N 0.86 1.56 3.68 0.06 0.00 -1.26 -4.75 105.19 105.34 3fku n GLY 117 Ca 0.02 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3fku n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 118 N 0.00 5.37 -0.21 2.61 2.01 -0.29 -4.89 115.64 120.25 3fku s THR 118 Ca 0.00 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 3fku s THR 118 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3fku s THR 118 CO 0.00 0.38 0.68 -0.22 -0.69 0.00 0.00 174.62 174.76 3fku s LEU 119 N 0.82 4.13 -0.18 4.42 2.96 -1.26 0.66 118.68 130.23 3fku s LEU 119 Ca 0.08 0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 3fku s LEU 119 Cb -0.13 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.64 3fku s LEU 119 CO 0.02 -0.33 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.96 3fku s VAL 120 N 2.13 1.30 0.18 1.68 1.01 -0.92 -1.56 120.40 124.22 3fku s VAL 120 Ca 0.30 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.62 3fku s VAL 120 Cb -0.16 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3fku s VAL 120 CO 0.10 0.15 -0.21 -0.89 0.00 0.00 0.00 175.10 174.24 3fku s THR 121 N 1.55 2.53 -0.12 3.92 2.01 -1.13 -2.28 115.64 122.11 3fku s THR 121 Ca 0.00 -1.92 0.01 0.00 0.31 0.00 0.00 61.69 60.09 3fku s THR 121 Cb -0.16 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 3fku s THR 121 CO -0.08 -0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.90 3fku s VAL 122 N -1.61 2.70 -0.96 3.82 1.01 -1.26 -2.22 120.40 121.88 3fku s VAL 122 Ca 0.21 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3fku s VAL 122 Cb -0.08 -2.11 0.33 0.00 0.00 0.00 0.00 36.38 34.52 3fku s VAL 122 CO 0.11 0.53 1.81 -1.54 0.00 0.00 0.00 175.10 176.01 3fku n SER 123 N 3.57 7.20 -3.59 3.32 3.41 -0.88 -4.91 113.62 121.75 3fku n SER 123 Ca -0.18 -3.72 -0.08 0.00 -0.26 0.00 0.00 58.87 54.63 3fku n SER 123 Cb 0.53 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.33 3fku n SER 123 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3fku s ILE 139 N -4.50 0.00 -0.31 -1.33 -4.36 -1.26 -4.52 121.20 104.93 3fku s ILE 139 Ca 0.42 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.82 3fku s ILE 139 Cb 0.24 -1.00 0.09 0.00 1.25 0.00 0.00 42.46 43.05 3fku s ILE 139 CO -0.18 0.00 0.05 -1.58 0.24 0.00 0.00 174.94 173.46 3fku s GLN 140 N -1.52 1.18 0.65 0.37 2.00 -1.26 -5.13 119.66 115.96 3fku s GLN 140 Ca 0.03 -1.36 -0.14 0.00 -2.00 0.00 0.00 55.36 51.90 3fku s GLN 140 Cb -0.01 -2.57 -0.01 0.00 0.80 0.00 0.00 33.01 31.22 3fku s GLN 140 CO -0.03 -0.89 1.07 -1.25 -0.50 0.00 0.00 175.29 173.69 3fku s PRO 141 N 1.30 3.00 0.01 1.67 0.04 -1.26 -4.99 135.00 134.77 3fku s PRO 141 Ca 0.07 1.16 0.22 0.00 0.04 0.00 0.00 61.00 62.49 3fku s PRO 141 Cb -0.18 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.11 3fku s PRO 141 CO -0.15 -1.06 0.64 0.41 0.04 0.00 0.00 177.00 176.88 3fku n GLY 142 N -1.22 -1.07 2.24 0.56 0.00 -1.24 -5.00 105.19 99.46 3fku n GLY 142 Ca 0.09 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3fku n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fku n LEU 143 N -2.18 0.00 -3.71 0.99 4.32 -1.05 -4.89 117.00 110.48 3fku n LEU 143 Ca -0.02 -1.98 -0.28 0.00 -0.02 0.00 0.00 56.01 53.71 3fku n LEU 143 Cb 0.53 0.25 -0.16 0.00 -1.62 0.00 0.00 43.42 42.42 3fku n LEU 143 CO 0.44 -0.28 -0.35 -0.89 -1.22 0.00 0.00 177.39 175.09 3fku s THR 144 N -2.17 0.51 -0.01 -5.08 2.01 -0.21 -4.18 115.64 106.53 3fku s THR 144 Ca 0.01 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.35 3fku s THR 144 Cb 0.00 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 3fku s THR 144 CO 0.01 -0.36 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.24 3fku s GLN 145 N 1.84 1.89 0.36 4.92 -0.21 -1.26 0.07 119.66 127.28 3fku s GLN 145 Ca 0.02 -0.89 -0.27 0.00 0.02 0.00 0.00 55.36 54.24 3fku s GLN 145 Cb -0.17 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 3fku s GLN 145 CO -0.14 0.51 1.20 -1.25 -2.12 0.00 0.00 175.29 173.48 3fku s PRO 146 N -0.69 4.23 0.40 2.91 0.04 -1.26 -4.49 135.00 136.14 3fku s PRO 146 Ca 0.09 1.94 0.22 0.00 0.04 0.00 0.00 61.00 63.29 3fku s PRO 146 Cb -0.09 -2.86 0.56 0.00 0.04 0.00 0.00 34.50 32.15 3fku s PRO 146 CO -0.00 -0.20 1.67 -1.00 0.04 0.00 0.00 177.00 177.51 3fku h PRO 147 N 3.02 0.00 -3.03 0.56 0.14 -1.97 -3.39 132.00 127.33 3fku h PRO 147 Ca -0.48 0.00 -0.27 0.00 0.14 0.00 0.00 66.00 65.38 3fku h PRO 147 Cb 1.23 0.00 -0.35 0.00 0.14 0.00 0.00 31.00 32.02 3fku h PRO 147 CO 0.64 0.25 -0.61 -1.12 0.14 0.00 0.00 178.00 177.30 3fku s SER 148 N -6.24 0.62 -0.07 1.44 0.01 -1.26 -1.56 113.70 106.65 3fku s SER 148 Ca 0.03 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.73 3fku s SER 148 Cb 0.08 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.70 3fku s SER 148 CO 0.67 -0.24 -0.17 -0.69 0.41 0.00 0.00 173.24 173.22 3fku s VAL 149 N 2.30 1.46 -0.07 3.43 1.01 -0.62 -4.96 120.40 122.96 3fku s VAL 149 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3fku s VAL 149 Cb -0.12 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.00 3fku s VAL 149 CO -0.06 0.42 -0.02 -0.44 0.00 0.00 0.00 175.10 175.00 3fku s SER 150 N 0.36 1.40 0.22 3.32 0.01 -1.26 -2.70 113.70 115.05 3fku s SER 150 Ca -0.12 -0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.07 3fku s SER 150 Cb -0.15 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 3fku s SER 150 CO 0.04 -0.14 -0.05 -0.54 0.41 0.00 0.00 173.24 172.97 3fku s LYS 151 N 1.59 1.31 0.64 12.44 -0.14 -0.98 -4.99 119.74 129.61 3fku s LYS 151 Ca -0.01 -1.64 -0.14 0.00 -1.36 0.00 0.00 55.97 52.83 3fku s LYS 151 Cb -0.13 -0.76 -0.02 0.00 -1.68 0.00 0.00 37.83 35.25 3fku s LYS 151 CO -0.04 -0.01 1.06 0.20 -0.76 0.00 0.00 175.35 175.80 3fku s GLY 152 N -3.30 1.96 0.36 -3.33 0.00 -1.26 -4.20 107.32 97.54 3fku s GLY 152 Ca 0.26 0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 3fku s GLY 152 CO 0.07 0.60 1.43 1.04 0.00 0.00 0.00 173.10 176.24 3fku n LEU 153 N -2.46 4.30 -1.67 0.66 4.77 -0.86 -2.60 117.00 119.15 3fku n LEU 153 Ca 0.08 1.21 -0.17 0.00 -0.03 0.00 0.00 56.01 57.11 3fku n LEU 153 Cb 0.53 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.99 3fku n LEU 153 CO 0.50 -0.07 -0.17 0.54 -1.33 0.00 0.00 177.39 176.86 3fku n ARG 154 N 0.64 -1.48 0.00 3.23 1.74 -1.01 -4.91 116.66 114.87 3fku n ARG 154 Ca 0.03 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3fku n ARG 154 Cb 0.38 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 3fku n ARG 154 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3fku n GLN 155 N -2.28 3.53 -3.85 5.56 1.13 -1.07 -4.47 117.38 115.93 3fku n GLN 155 Ca -0.18 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.77 3fku n GLN 155 Cb 0.58 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.83 3fku n GLN 155 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3fku s THR 156 N 1.93 0.08 0.24 5.09 -4.23 -1.26 -2.85 115.64 114.64 3fku s THR 156 Ca 0.00 -0.67 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 3fku s THR 156 Cb 0.00 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 3fku s THR 156 CO 0.00 -0.37 -0.08 0.00 -0.54 0.00 0.00 174.62 173.63 3fku s ALA 157 N -1.48 2.98 0.11 3.99 0.00 -0.83 -4.94 121.76 121.59 3fku s ALA 157 Ca -0.14 -1.65 0.10 0.00 0.00 0.00 0.00 51.96 50.28 3fku s ALA 157 Cb -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 3fku s ALA 157 CO 0.02 0.34 -0.24 0.99 0.00 0.00 0.00 175.76 176.87 3fku s THR 158 N -2.15 2.46 -0.32 0.00 2.01 -1.26 -1.72 115.64 114.65 3fku s THR 158 Ca 0.29 -1.60 -0.01 0.00 0.31 0.00 0.00 61.69 60.68 3fku s THR 158 Cb -0.07 -2.08 0.11 0.00 0.01 0.00 0.00 72.50 70.47 3fku s THR 158 CO 0.17 0.14 0.13 -0.76 -0.69 0.00 0.00 174.62 173.61 3fku s LEU 159 N -1.94 1.87 0.51 4.42 1.02 0.13 -4.97 118.68 119.72 3fku s LEU 159 Ca 0.15 -1.71 -0.14 0.00 0.02 0.00 0.00 54.13 52.45 3fku s LEU 159 Cb -0.10 -0.75 -0.07 0.00 0.02 0.00 0.00 46.19 45.29 3fku s LEU 159 CO 0.07 -0.40 0.94 0.42 0.02 0.00 0.00 176.35 177.40 3fku s THR 160 N 1.54 4.63 -0.11 5.49 -4.23 -1.26 -0.89 115.64 120.80 3fku s THR 160 Ca 0.11 0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 3fku s THR 160 Cb -0.18 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 69.96 3fku s THR 160 CO -0.23 -0.75 0.18 0.00 -0.54 0.00 0.00 174.62 173.28 3fku s THR 162 N 2.32 4.66 0.21 0.00 2.01 0.11 -2.23 115.64 122.72 3fku s THR 162 Ca 0.03 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 3fku s THR 162 Cb -0.13 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.37 3fku s THR 162 CO -0.07 0.46 0.65 -0.83 -0.69 0.00 0.00 174.62 174.14 3fku s GLY 163 N -1.38 -0.37 0.00 4.40 0.00 -1.18 -1.04 107.32 107.75 3fku s GLY 163 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3fku s GLY 163 CO 0.09 0.04 0.00 1.16 0.00 0.00 0.00 173.10 174.39 3fku n ASN 164 N -0.42 -0.23 0.07 1.64 0.23 -1.26 -4.65 115.26 110.65 3fku n ASN 164 Ca -0.11 -0.48 -0.05 0.00 -0.53 0.00 0.00 54.58 53.41 3fku n ASN 164 Cb 0.62 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.23 3fku n ASN 164 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3fku h SER 165 N -0.23 0.00 1.18 0.53 0.87 -1.98 -3.16 113.55 110.76 3fku h SER 165 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3fku h SER 165 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3fku h SER 165 CO 0.00 0.88 0.00 0.78 -0.53 0.00 0.00 176.83 177.96 3fku h ASN 166 N 0.00 0.00 0.00 6.23 2.35 -1.95 -3.08 115.58 119.12 3fku h ASN 166 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3fku h ASN 166 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 3fku h ASN 166 CO 0.11 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.43 3fku n ASN 167 N -2.92 0.00 -0.01 5.81 0.23 -1.24 -1.59 115.26 115.54 3fku n ASN 167 Ca 0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.03 3fku n ASN 167 Cb 0.34 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.25 3fku n ASN 167 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fku h VAL 168 N 0.00 1.25 0.53 3.53 2.07 -1.79 -0.46 116.25 121.38 3fku h VAL 168 Ca 0.00 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3fku h VAL 168 Cb 0.00 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3fku h VAL 168 CO 0.00 0.38 -0.25 1.23 0.02 0.00 0.00 177.57 178.94 3fku h GLY 169 N 0.98 -0.74 0.92 2.17 0.00 -1.69 -3.17 103.07 101.55 3fku h GLY 169 Ca 0.08 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 3fku h GLY 169 CO 0.04 -0.27 0.09 -0.57 0.00 0.00 0.00 176.54 175.83 3fku h ASN 170 N -0.72 0.55 -0.53 0.19 -0.73 -1.47 -3.36 115.58 109.51 3fku h ASN 170 Ca -0.07 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.87 3fku h ASN 170 Cb 0.54 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.99 3fku h ASN 170 CO 0.12 0.64 0.00 0.00 -0.37 0.00 0.00 177.43 177.82 3fku n GLN 171 N -4.60 2.58 0.00 6.67 1.13 -0.19 -5.07 117.38 117.90 3fku n GLN 171 Ca -0.01 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.65 3fku n GLN 171 Cb 0.20 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3fku n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fku n GLY 172 N 1.43 -0.33 3.51 1.08 0.00 -1.20 -4.73 105.19 104.95 3fku n GLY 172 Ca 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3fku n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fku s ALA 173 N -1.19 -2.59 0.20 4.61 0.00 -1.15 -4.51 121.76 117.14 3fku s ALA 173 Ca 0.00 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.09 3fku s ALA 173 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3fku s ALA 173 CO 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 175.76 175.32 3fku s ALA 174 N 1.81 3.68 0.13 0.00 0.00 -0.76 -4.44 121.76 122.17 3fku s ALA 174 Ca -0.05 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.73 3fku s ALA 174 Cb -0.04 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3fku s ALA 174 CO -0.15 0.40 -0.19 -1.58 0.00 0.00 0.00 175.76 174.24 3fku s TRP 175 N -1.89 1.71 -0.17 0.00 0.52 -1.21 -1.77 118.94 116.12 3fku s TRP 175 Ca 0.32 -0.46 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 3fku s TRP 175 Cb -0.09 -0.90 0.08 0.00 -1.15 0.00 0.00 33.47 31.41 3fku s TRP 175 CO 0.25 0.23 0.24 -0.51 0.02 0.00 0.00 176.95 177.18 3fku s LEU 176 N -2.24 -0.20 0.62 2.99 1.43 0.61 -2.63 118.68 119.26 3fku s LEU 176 Ca 0.09 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.13 3fku s LEU 176 Cb -0.08 0.52 -0.02 0.00 0.03 0.00 0.00 46.19 46.64 3fku s LEU 176 CO 0.05 -0.29 1.08 -1.58 0.23 0.00 0.00 176.35 175.83 3fku s GLN 177 N 2.37 3.12 -0.13 1.70 0.74 -1.19 -0.87 119.66 125.40 3fku s GLN 177 Ca 0.05 1.27 -0.06 0.00 0.05 0.00 0.00 55.36 56.67 3fku s GLN 177 Cb -0.14 -2.00 0.05 0.00 1.10 0.00 0.00 33.01 32.02 3fku s GLN 177 CO -0.11 -0.98 0.30 -1.14 -0.55 0.00 0.00 175.29 172.81 3fku s GLN 178 N -4.11 0.25 -0.12 1.67 0.74 0.15 -2.25 119.66 115.98 3fku s GLN 178 Ca 0.65 0.65 -0.04 0.00 0.05 0.00 0.00 55.36 56.66 3fku s GLN 178 Cb -0.18 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 3fku s GLN 178 CO 0.39 -0.18 0.03 -1.01 -0.55 0.00 0.00 175.29 173.97 3fku s HIS 179 N 1.53 3.23 -0.41 1.67 3.76 -1.26 -1.84 115.29 121.97 3fku s HIS 179 Ca -0.07 0.16 -0.37 0.00 -0.15 0.00 0.00 55.06 54.62 3fku s HIS 179 Cb -0.10 -1.91 -0.16 0.00 1.11 0.00 0.00 32.58 31.52 3fku s HIS 179 CO -0.10 0.37 1.73 0.94 -0.85 0.00 0.00 174.74 176.83 3fku n GLN 180 N 2.65 0.00 -2.09 1.40 -0.06 -1.26 0.44 117.38 118.46 3fku n GLN 180 Ca -0.18 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.73 3fku n GLN 180 Cb 0.53 -1.24 -0.01 0.00 -4.06 0.00 0.00 30.24 25.47 3fku n GLN 180 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fku n GLY 181 N 5.93 0.09 3.15 1.69 0.00 -1.26 -5.04 105.19 109.76 3fku n GLY 181 Ca 0.44 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3fku n GLY 181 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fku s HIS 182 N -2.42 0.83 0.93 1.61 3.76 0.17 -5.16 115.29 115.01 3fku s HIS 182 Ca 0.00 -1.09 -0.13 0.00 -0.15 0.00 0.00 55.06 53.70 3fku s HIS 182 Cb 0.00 -0.50 0.15 0.00 1.11 0.00 0.00 32.58 33.34 3fku s HIS 182 CO 0.00 -0.35 1.14 -1.25 -0.85 0.00 0.00 174.74 173.43 3fku s PRO 183 N -3.94 1.01 -0.09 8.40 0.04 -1.26 -4.37 135.00 134.78 3fku s PRO 183 Ca 0.17 0.25 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 3fku s PRO 183 Cb 0.07 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 3fku s PRO 183 CO -0.03 -2.28 0.64 -1.25 0.04 0.00 0.00 177.00 174.12 3fku s PRO 184 N -5.30 4.39 0.89 0.56 0.04 -1.26 -4.24 135.00 130.09 3fku s PRO 184 Ca 0.64 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 3fku s PRO 184 Cb -0.14 -3.46 0.14 0.00 0.04 0.00 0.00 34.50 31.09 3fku s PRO 184 CO 0.53 0.06 1.25 0.15 0.04 0.00 0.00 177.00 179.03 3fku s LYS 185 N 0.86 1.23 0.04 4.56 -0.14 -0.96 -4.75 119.74 120.59 3fku s LYS 185 Ca 0.34 -0.15 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 3fku s LYS 185 Cb -0.17 -1.89 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 3fku s LYS 185 CO 0.15 -2.05 0.06 -1.17 -0.76 0.00 0.00 175.35 171.58 3fku s LEU 186 N -5.77 3.74 0.00 3.17 2.96 -1.26 -3.16 118.68 118.37 3fku s LEU 186 Ca 0.68 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 3fku s LEU 186 Cb -0.07 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3fku s LEU 186 CO 0.51 0.22 -0.06 0.18 -1.32 0.00 0.00 176.35 175.88 3fku n LEU 187 N 0.85 0.85 -4.02 -0.68 4.77 -1.08 -4.87 117.00 112.82 3fku n LEU 187 Ca -0.11 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3fku n LEU 187 Cb 0.52 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 3fku n LEU 187 CO 0.40 -0.31 -0.41 -0.94 -1.33 0.00 0.00 177.39 174.79 3fku s SER 188 N -5.74 0.89 0.85 -1.43 1.04 -1.25 -3.98 113.70 104.08 3fku s SER 188 Ca -0.06 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 3fku s SER 188 Cb 0.02 -0.05 0.10 0.00 0.10 0.00 0.00 66.02 66.19 3fku s SER 188 CO 0.08 -0.02 1.12 -0.31 0.98 0.00 0.00 173.24 175.09 3fku s TYR 189 N -0.62 2.67 0.46 5.02 1.51 -0.11 -3.32 117.35 122.96 3fku s TYR 189 Ca -0.02 1.01 0.31 0.00 -1.01 0.00 0.00 57.07 57.37 3fku s TYR 189 Cb -0.05 -3.25 1.42 0.00 -0.11 0.00 0.00 41.96 39.97 3fku s TYR 189 CO 0.00 -2.06 1.67 -0.09 -1.11 0.00 0.00 175.55 173.96 3fku h ARG 190 N -1.29 0.12 -1.55 -0.62 2.43 -1.86 -1.60 114.38 110.01 3fku h ARG 190 Ca -0.49 -0.01 -0.66 0.00 -0.81 0.00 0.00 59.98 58.02 3fku h ARG 190 Cb 1.30 -0.03 -0.36 0.00 -0.42 0.00 0.00 29.97 30.46 3fku h ARG 190 CO 0.60 0.08 0.03 0.27 -1.51 0.00 0.00 179.97 179.44 3fku n ASN 191 N -4.53 5.98 0.00 -3.80 2.04 -1.26 -2.92 115.26 110.77 3fku n ASN 191 Ca 0.34 -3.77 0.00 0.00 -0.44 0.00 0.00 54.58 50.71 3fku n ASN 191 Cb 1.37 -0.70 0.00 0.00 -2.53 0.00 0.00 39.78 37.91 3fku n ASN 191 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3fku n ASN 192 N -0.57 0.00 -4.71 0.53 3.02 -0.60 -4.96 115.26 107.98 3fku n ASN 192 Ca 0.47 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.59 3fku n ASN 192 Cb 0.55 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.71 3fku n ASN 192 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fku n ASP 193 N 0.96 3.03 -4.89 6.41 9.92 -1.26 -4.47 116.55 126.25 3fku n ASP 193 Ca 0.00 1.19 -0.29 0.00 -0.53 0.00 0.00 54.79 55.16 3fku n ASP 193 Cb 0.00 -1.50 -0.03 0.00 -0.64 0.00 0.00 41.12 38.95 3fku n ASP 193 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fku s ARG 194 N -1.46 3.70 0.00 -1.24 1.70 -1.26 -0.94 118.95 119.45 3fku s ARG 194 Ca 0.59 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 56.13 3fku s ARG 194 Cb -0.56 -2.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 3fku s ARG 194 CO 0.58 0.02 0.00 -0.35 -1.08 0.00 0.00 175.30 174.47 3fku n PRO 195 N -1.33 0.17 0.19 3.89 -0.04 -1.26 -4.92 135.00 131.72 3fku n PRO 195 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 3fku n PRO 195 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.97 3fku n PRO 195 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3fku h SER 196 N -0.11 -0.41 0.68 3.54 0.02 -1.97 -3.34 113.55 111.97 3fku h SER 196 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fku h SER 196 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3fku h SER 196 CO 0.00 -0.27 0.00 1.23 -1.14 0.00 0.00 176.83 176.65 3fku h GLY 197 N -0.54 0.00 -5.01 -3.77 0.00 -1.96 -3.44 103.07 88.35 3fku h GLY 197 Ca -0.05 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.73 3fku h GLY 197 CO 0.08 0.00 0.90 -0.42 0.00 0.00 0.00 176.54 177.10 3fku s ILE 198 N -3.54 3.84 0.61 2.60 -1.09 -1.25 -4.97 121.20 117.40 3fku s ILE 198 Ca 0.02 1.14 -0.19 0.00 -2.23 0.00 0.00 60.65 59.39 3fku s ILE 198 Cb 0.09 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3fku s ILE 198 CO 0.42 -0.05 1.26 -0.94 -1.23 0.00 0.00 174.94 174.41 3fku s SER 199 N 2.19 4.92 0.65 3.58 1.04 -1.26 -4.86 113.70 119.95 3fku s SER 199 Ca 0.63 2.54 0.33 0.00 0.48 0.00 0.00 55.95 59.93 3fku s SER 199 Cb -0.29 -2.61 1.79 0.00 0.10 0.00 0.00 66.02 65.01 3fku s SER 199 CO 0.24 -1.79 2.05 1.05 0.98 0.00 0.00 173.24 175.77 3fku h GLU 200 N 0.78 0.00 -0.97 4.02 -0.00 -1.95 -2.17 114.58 114.28 3fku h GLU 200 Ca -0.51 0.00 0.31 0.00 -0.00 0.00 0.00 59.36 59.16 3fku h GLU 200 Cb 1.32 0.00 -0.17 0.00 -0.00 0.00 0.00 28.75 29.89 3fku h GLU 200 CO 0.54 0.00 0.24 -0.09 -0.00 0.00 0.00 179.01 179.70 3fku h ARG 201 N 0.00 0.05 -5.53 1.06 2.43 -1.94 -3.36 114.38 107.09 3fku h ARG 201 Ca 0.03 -0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.57 3fku h ARG 201 Cb 0.54 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.94 3fku h ARG 201 CO -0.00 0.04 0.85 -0.06 -1.51 0.00 0.00 179.97 179.28 3fku s PHE 202 N -5.83 2.74 -0.49 2.20 0.08 -0.82 -2.69 117.98 113.17 3fku s PHE 202 Ca -0.11 -0.79 -0.09 0.00 0.12 0.00 0.00 56.93 56.06 3fku s PHE 202 Cb 0.30 -4.40 0.13 0.00 -0.57 0.00 0.00 43.02 38.48 3fku s PHE 202 CO 0.78 -1.70 0.36 0.45 -0.10 0.00 0.00 175.22 175.01 3fku s SER 203 N 3.88 5.69 0.25 1.36 0.15 -0.92 -4.92 113.70 119.18 3fku s SER 203 Ca 0.31 -2.01 -0.19 0.00 0.70 0.00 0.00 55.95 54.76 3fku s SER 203 Cb -0.09 -2.00 -0.08 0.00 -1.71 0.00 0.00 66.02 62.13 3fku s SER 203 CO 0.02 -0.66 0.74 0.00 1.20 0.00 0.00 173.24 174.53 3fku s ALA 204 N 1.22 3.38 -0.29 5.45 0.00 -1.26 -3.23 121.76 127.03 3fku s ALA 204 Ca 0.07 0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 3fku s ALA 204 Cb -0.25 -2.83 0.13 0.00 0.00 0.00 0.00 23.12 20.18 3fku s ALA 204 CO -0.01 0.32 0.63 0.45 0.00 0.00 0.00 175.76 177.15 3fku s SER 205 N -1.77 -1.11 0.48 0.00 0.15 -1.16 -4.83 113.70 105.45 3fku s SER 205 Ca 0.46 1.48 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 3fku s SER 205 Cb -0.15 2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 66.36 3fku s SER 205 CO 0.20 -0.22 0.78 -0.60 1.20 0.00 0.00 173.24 174.59 3fku s ARG 206 N 2.88 3.52 -0.26 5.44 3.52 -1.26 -0.80 118.95 131.99 3fku s ARG 206 Ca -0.03 0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.71 3fku s ARG 206 Cb -0.12 -2.39 0.14 0.00 -1.56 0.00 0.00 34.95 31.02 3fku s ARG 206 CO -0.19 -0.20 0.40 0.45 -0.81 0.00 0.00 175.30 174.95 3fku s SER 207 N -4.11 0.14 0.93 -2.12 0.15 -1.03 -4.89 113.70 102.77 3fku s SER 207 Ca 0.47 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.29 3fku s SER 207 Cb -0.10 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3fku s SER 207 CO 0.44 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3fku n GLY 208 N 5.37 0.76 1.05 9.45 0.00 -1.26 -1.18 105.19 119.37 3fku n GLY 208 Ca -0.03 0.63 0.08 0.00 0.00 0.00 0.00 46.02 46.71 3fku n GLY 208 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fku n ASN 209 N 7.51 3.68 -3.56 1.61 4.13 -1.26 -4.05 115.26 123.32 3fku n ASN 209 Ca 0.00 -2.20 -0.15 0.00 1.68 0.00 0.00 54.58 53.91 3fku n ASN 209 Cb 0.00 -0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 37.71 3fku n ASN 209 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3fku s THR 210 N -1.37 -0.40 0.03 3.41 2.01 -0.33 -3.10 115.64 115.90 3fku s THR 210 Ca 0.38 0.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 3fku s THR 210 Cb 0.22 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 3fku s THR 210 CO 0.22 -0.03 0.81 0.00 -0.69 0.00 0.00 174.62 174.92 3fku s ALA 211 N 2.39 3.32 -0.30 7.40 0.00 -0.95 -2.47 121.76 131.15 3fku s ALA 211 Ca 0.05 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.35 3fku s ALA 211 Cb -0.14 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.00 3fku s ALA 211 CO -0.11 -0.02 0.01 -1.12 0.00 0.00 0.00 175.76 174.53 3fku s SER 212 N 0.25 4.41 -0.32 0.00 0.01 0.02 -1.04 113.70 117.03 3fku s SER 212 Ca 0.41 -1.74 -0.27 0.00 1.31 0.00 0.00 55.95 55.66 3fku s SER 212 Cb -0.20 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.64 3fku s SER 212 CO 0.24 -0.32 0.98 -0.22 0.41 0.00 0.00 173.24 174.32 3fku s LEU 213 N 1.15 3.98 0.09 2.44 2.96 -0.07 -3.01 118.68 126.23 3fku s LEU 213 Ca 0.04 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 54.90 3fku s LEU 213 Cb -0.19 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 3fku s LEU 213 CO -0.10 -0.81 -0.11 0.42 -1.32 0.00 0.00 176.35 174.44 3fku s THR 214 N 3.44 3.33 -0.13 3.68 -4.23 -1.20 0.21 115.64 120.74 3fku s THR 214 Ca 0.41 -1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3fku s THR 214 Cb -0.13 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.23 3fku s THR 214 CO 0.15 0.15 0.06 -0.63 -0.54 0.00 0.00 174.62 173.81 3fku s ILE 215 N -1.17 0.11 0.85 2.99 1.01 -0.70 -2.17 121.20 122.12 3fku s ILE 215 Ca 0.20 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 3fku s ILE 215 Cb -0.11 -0.58 0.20 0.00 0.01 0.00 0.00 42.46 41.98 3fku s ILE 215 CO 0.12 -0.09 1.05 0.41 0.00 0.00 0.00 174.94 176.43 3fku n THR 216 N 5.21 0.00 -3.41 2.92 -1.04 -1.09 -1.97 114.28 114.90 3fku n THR 216 Ca -0.07 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.05 61.14 3fku n THR 216 Cb 0.49 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3fku n THR 216 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fku n GLY 217 N -2.47 -0.26 3.64 3.41 0.00 -1.13 -4.79 105.19 103.59 3fku n GLY 217 Ca 0.13 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3fku n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fku n LEU 218 N -1.60 3.66 -4.07 0.99 4.77 -1.17 -4.80 117.00 114.77 3fku n LEU 218 Ca -0.05 0.93 -0.08 0.00 -0.03 0.00 0.00 56.01 56.78 3fku n LEU 218 Cb 0.16 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.73 3fku n LEU 218 CO 0.18 -1.42 -0.36 -1.58 -1.33 0.00 0.00 177.39 172.87 3fku s GLN 219 N -2.49 0.56 0.57 3.23 0.74 -1.26 -2.41 119.66 118.60 3fku s GLN 219 Ca 0.70 -1.09 0.26 0.00 0.05 0.00 0.00 55.36 55.27 3fku s GLN 219 Cb -0.47 0.15 1.66 0.00 1.10 0.00 0.00 33.01 35.45 3fku s GLN 219 CO 0.52 -0.09 2.22 -1.00 -0.55 0.00 0.00 175.29 176.39 3fku h PRO 220 N 3.49 0.00 -0.66 1.67 0.13 -1.97 -2.53 132.00 132.12 3fku h PRO 220 Ca -0.34 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3fku h PRO 220 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3fku h PRO 220 CO 0.60 0.00 0.44 0.93 -0.23 0.00 0.00 178.00 179.73 3fku h GLU 221 N 0.00 0.78 0.00 0.86 3.07 -2.01 -2.74 114.58 114.54 3fku h GLU 221 Ca 0.01 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3fku h GLU 221 Cb 0.04 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 3fku h GLU 221 CO -0.00 0.51 0.00 -0.44 -1.40 0.00 0.00 179.01 177.68 3fku h ASP 222 N 0.80 0.00 -2.43 1.42 5.19 -1.87 -3.43 116.42 116.10 3fku h ASP 222 Ca 0.26 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.10 3fku h ASP 222 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3fku h ASP 222 CO -0.07 0.00 1.31 -0.70 -3.12 0.00 0.00 179.24 176.66 3fku s GLU 223 N -3.42 3.48 -0.04 3.56 2.12 -1.03 -4.87 118.70 118.49 3fku s GLU 223 Ca 0.03 1.83 -0.17 0.00 0.36 0.00 0.00 54.97 57.02 3fku s GLU 223 Cb 0.09 -4.21 0.06 0.00 0.26 0.00 0.00 34.13 30.33 3fku s GLU 223 CO 0.42 -1.69 0.77 0.00 -0.54 0.00 0.00 175.26 174.23 3fku n ALA 224 N 9.95 -2.21 -2.61 6.30 0.00 -1.19 -4.94 120.51 125.81 3fku n ALA 224 Ca 0.24 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 3fku n ALA 224 Cb 0.45 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 3fku n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fku s ASP 225 N -2.70 6.68 -0.05 0.00 1.01 -0.77 -1.67 116.67 119.18 3fku s ASP 225 Ca 0.18 0.82 0.04 0.00 0.71 0.00 0.00 52.55 54.30 3fku s ASP 225 Cb -0.00 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 3fku s ASP 225 CO -0.01 0.32 -0.17 -0.31 0.21 0.00 0.00 175.17 175.21 3fku s TYR 226 N -0.92 1.73 -0.02 4.23 1.51 -1.06 0.30 117.35 123.12 3fku s TYR 226 Ca 0.21 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3fku s TYR 226 Cb -0.15 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 3fku s TYR 226 CO 0.10 -0.18 -0.19 0.71 -1.11 0.00 0.00 175.55 174.88 3fku s TYR 227 N 0.09 1.72 0.48 2.71 2.02 -0.05 -2.31 117.35 122.01 3fku s TYR 227 Ca -0.05 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3fku s TYR 227 Cb -0.12 -1.11 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3fku s TYR 227 CO 0.03 -0.04 0.68 0.00 -1.57 0.00 0.00 175.55 174.65 3fku s SER 229 N -4.33 -0.62 0.37 0.00 1.04 -0.73 -3.06 113.70 106.38 3fku s SER 229 Ca 0.53 1.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 3fku s SER 229 Cb -0.10 1.18 0.04 0.00 0.10 0.00 0.00 66.02 67.25 3fku s SER 229 CO 0.37 -0.19 0.73 -0.89 0.98 0.00 0.00 173.24 174.24 3fku s THR 230 N 0.60 0.00 0.29 2.02 2.01 -1.11 -1.83 115.64 117.62 3fku s THR 230 Ca -0.01 -1.10 -0.16 0.00 0.31 0.00 0.00 61.69 60.73 3fku s THR 230 Cb -0.05 -2.80 -0.09 0.00 0.01 0.00 0.00 72.50 69.58 3fku s THR 230 CO -0.07 0.00 0.72 0.86 -0.69 0.00 0.00 174.62 175.45 3fku s TRP 231 N -2.52 3.44 -0.25 4.92 -0.11 -1.26 0.18 118.94 123.34 3fku s TRP 231 Ca 0.18 1.24 -0.04 0.00 1.22 0.00 0.00 56.10 58.70 3fku s TRP 231 Cb -0.04 -2.54 0.01 0.00 -1.50 0.00 0.00 33.47 29.39 3fku s TRP 231 CO 0.13 0.16 -0.01 0.34 -4.62 0.00 0.00 176.95 172.94 3fku s ASP 232 N -2.13 4.55 0.50 5.86 -1.08 0.77 -4.23 116.67 120.92 3fku s ASP 232 Ca 0.51 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 52.13 3fku s ASP 232 Cb -0.12 -1.75 1.34 0.00 -1.46 0.00 0.00 42.92 40.93 3fku s ASP 232 CO 0.18 -0.11 2.04 0.28 0.52 0.00 0.00 175.17 178.08 3fku h SER 233 N 8.11 0.00 0.08 -0.34 0.02 -1.60 -1.64 113.55 118.18 3fku h SER 233 Ca -0.35 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.38 3fku h SER 233 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3fku h SER 233 CO 0.59 0.15 -1.11 0.77 -1.14 0.00 0.00 176.83 176.09 3fku h SER 234 N 0.00 0.26 1.76 3.07 4.64 -1.95 -3.37 113.55 117.95 3fku h SER 234 Ca -0.00 -0.82 -0.04 0.00 -0.47 0.00 0.00 61.79 60.46 3fku h SER 234 Cb 0.38 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3fku h SER 234 CO 0.02 1.48 -0.19 -0.07 -0.87 0.00 0.00 176.83 177.20 3fku h LEU 235 N -0.55 0.00 0.64 5.97 3.38 -1.96 -3.48 115.31 119.32 3fku h LEU 235 Ca -0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3fku h LEU 235 Cb 1.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3fku h LEU 235 CO 0.01 0.19 -0.12 -1.20 0.09 0.00 0.00 178.44 177.40 3fku n SER 236 N -3.15 -2.39 -4.01 -0.43 7.64 -0.62 -4.68 113.62 105.98 3fku n SER 236 Ca 0.03 0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.73 3fku n SER 236 Cb 0.60 -1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 3fku n SER 236 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fku s ALA 237 N -2.24 2.09 -0.21 -0.43 0.00 -1.19 -4.83 121.76 114.95 3fku s ALA 237 Ca 0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.17 3fku s ALA 237 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 3fku s ALA 237 CO 0.00 -0.48 0.06 0.08 0.00 0.00 0.00 175.76 175.42 3fku s VAL 238 N -3.54 4.56 0.41 0.00 1.01 -1.26 -0.16 120.40 121.41 3fku s VAL 238 Ca 0.34 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.30 3fku s VAL 238 Cb 0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3fku s VAL 238 CO 0.17 0.40 0.29 0.68 0.00 0.00 0.00 175.10 176.65 3fku s VAL 239 N 0.94 2.62 0.28 2.92 -7.23 0.13 -4.50 120.40 115.55 3fku s VAL 239 Ca 0.04 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3fku s VAL 239 Cb -0.14 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 3fku s VAL 239 CO 0.03 -0.02 0.23 -0.36 -0.31 0.00 0.00 175.10 174.66 3fku s PHE 240 N -2.50 1.47 0.14 2.82 0.40 -1.26 -2.75 117.98 116.30 3fku s PHE 240 Ca 0.45 -1.52 -0.00 0.00 -0.60 0.00 0.00 56.93 55.25 3fku s PHE 240 Cb -0.01 -0.61 0.03 0.00 0.51 0.00 0.00 43.02 42.94 3fku s PHE 240 CO 0.26 -0.79 0.20 0.41 0.70 0.00 0.00 175.22 175.99 3fku n GLY 241 N -0.47 0.58 0.31 4.36 0.00 -1.17 -2.53 105.19 106.26 3fku n GLY 241 Ca 0.05 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 3fku n GLY 241 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fku h GLY 242 N -0.13 1.15 0.00 -0.02 0.00 -1.79 -3.46 103.07 98.82 3fku h GLY 242 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3fku h GLY 242 CO 0.07 0.79 0.00 0.61 0.00 0.00 0.00 176.54 178.00 3fku n GLY 243 N -0.40 3.22 2.90 4.60 0.00 -1.26 -4.78 105.19 109.47 3fku n GLY 243 Ca 0.03 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 3fku n GLY 243 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fku s THR 244 N -2.54 -0.62 -0.05 2.61 -1.32 -0.98 -4.11 115.64 108.63 3fku s THR 244 Ca 0.00 -0.27 -0.28 0.00 -1.21 0.00 0.00 61.69 59.93 3fku s THR 244 Cb 0.00 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 3fku s THR 244 CO 0.00 -0.27 0.91 -0.75 -2.21 0.00 0.00 174.62 172.30 3fku s LYS 245 N 2.53 4.49 -0.17 7.08 2.36 -0.60 -2.55 119.74 132.88 3fku s LYS 245 Ca 0.10 1.26 -0.03 0.00 -2.55 0.00 0.00 55.97 54.76 3fku s LYS 245 Cb -0.13 -3.48 -0.02 0.00 -1.05 0.00 0.00 37.83 33.15 3fku s LYS 245 CO -0.28 -0.10 -0.06 -1.17 1.55 0.00 0.00 175.35 175.29 3fku s LEU 246 N 1.24 3.00 0.05 5.43 2.96 -0.67 -1.58 118.68 129.11 3fku s LEU 246 Ca 0.47 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3fku s LEU 246 Cb -0.19 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3fku s LEU 246 CO 0.23 0.11 -0.08 0.42 -1.32 0.00 0.00 176.35 175.70 3fku s THR 247 N 0.72 3.51 -0.17 3.68 -4.23 -1.10 -3.15 115.64 114.90 3fku s THR 247 Ca -0.03 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3fku s THR 247 Cb -0.15 -2.57 -0.08 0.00 1.34 0.00 0.00 72.50 71.05 3fku s THR 247 CO 0.02 0.27 -0.22 1.33 -0.54 0.00 0.00 174.62 175.49 3fku n VAL 248 N 1.20 0.94 1.16 2.29 0.24 -1.26 -2.31 118.33 120.58 3fku n VAL 248 Ca -0.14 -0.25 0.09 0.00 -2.04 0.00 0.00 64.34 62.00 3fku n VAL 248 Cb 0.52 -1.69 0.55 0.00 -1.47 0.00 0.00 33.84 31.76 3fku n VAL 248 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87