#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fku n VAL 2 N 0.00 0.00 -3.29 1.69 0.24 -1.26 -5.02 118.33 110.70 3fku n VAL 2 Ca 0.00 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 3fku n VAL 2 Cb 0.00 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 31.57 3fku n VAL 2 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fku s GLN 3 N -3.91 0.42 -0.17 7.34 -1.52 -1.26 -4.98 119.66 115.59 3fku s GLN 3 Ca 0.60 0.38 -0.22 0.00 -1.95 0.00 0.00 55.36 54.16 3fku s GLN 3 Cb -0.20 -0.22 -0.02 0.00 -0.22 0.00 0.00 33.01 32.35 3fku s GLN 3 CO 0.65 -0.88 0.70 -0.51 -0.25 0.00 0.00 175.29 175.00 3fku s LEU 4 N 2.60 4.18 -0.18 2.90 1.43 -1.26 -0.72 118.68 127.64 3fku s LEU 4 Ca 0.12 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3fku s LEU 4 Cb -0.13 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3fku s LEU 4 CO -0.25 -0.29 -0.16 0.68 0.23 0.00 0.00 176.35 176.56 3fku s VAL 5 N 1.81 1.85 0.45 -1.59 -7.23 -0.66 -4.07 120.40 110.96 3fku s VAL 5 Ca 0.33 -0.89 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 3fku s VAL 5 Cb -0.16 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.05 3fku s VAL 5 CO 0.12 0.43 0.62 -1.10 -0.31 0.00 0.00 175.10 174.86 3fku s GLN 6 N 1.36 2.76 0.00 4.82 -0.21 -1.26 0.41 119.66 127.55 3fku s GLN 6 Ca 0.03 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.30 3fku s GLN 6 Cb -0.14 -2.69 0.00 0.00 1.00 0.00 0.00 33.01 31.18 3fku s GLN 6 CO -0.11 -0.38 0.00 0.45 -2.12 0.00 0.00 175.29 173.13 3fku n SER 7 N -1.97 0.00 -4.30 5.90 2.88 -0.76 -4.96 113.62 110.41 3fku n SER 7 Ca 0.08 -0.67 -0.29 0.00 -1.33 0.00 0.00 58.87 56.66 3fku n SER 7 Cb 0.59 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.28 3fku n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fku s GLY 8 N -2.15 1.53 -1.11 0.46 0.00 -1.26 -4.79 107.32 100.00 3fku s GLY 8 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 3fku s GLY 8 CO 0.00 0.30 1.15 0.00 0.00 0.00 0.00 173.10 174.55 3fku s ALA 9 N -2.69 4.57 0.42 3.20 0.00 -1.26 -4.72 121.76 121.28 3fku s ALA 9 Ca 0.68 -3.73 -0.22 0.00 0.00 0.00 0.00 51.96 48.69 3fku s ALA 9 Cb -0.19 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 3fku s ALA 9 CO 0.60 -2.31 1.00 -1.21 0.00 0.00 0.00 175.76 173.83 3fku s GLU 10 N -0.66 4.15 -0.11 0.00 2.02 -1.14 -4.91 118.70 118.05 3fku s GLU 10 Ca 0.32 1.32 -0.02 0.00 0.02 0.00 0.00 54.97 56.60 3fku s GLU 10 Cb -0.09 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.84 3fku s GLU 10 CO -0.07 -0.12 0.04 0.08 0.02 0.00 0.00 175.26 175.21 3fku s VAL 11 N -1.91 0.22 0.07 2.63 1.01 -1.26 -2.51 120.40 118.66 3fku s VAL 11 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3fku s VAL 11 Cb -0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 3fku s VAL 11 CO 0.20 0.04 0.02 0.29 0.00 0.00 0.00 175.10 175.65 3fku n LYS 12 N 5.18 1.19 -4.05 2.72 5.02 -0.21 -4.95 118.16 123.06 3fku n LYS 12 Ca -0.07 -0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 55.44 3fku n LYS 12 Cb 0.49 0.25 -0.03 0.00 -0.02 0.00 0.00 35.03 35.72 3fku n LYS 12 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fku s LYS 13 N -2.26 3.15 0.52 1.97 2.20 -1.26 -4.18 119.74 119.88 3fku s LYS 13 Ca 0.02 -0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 54.51 3fku s LYS 13 Cb 0.00 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.55 3fku s LYS 13 CO 0.02 0.42 1.21 -2.14 -0.36 0.00 0.00 175.35 174.50 3fku s PRO 14 N -3.84 3.38 0.00 4.03 0.02 -1.26 -2.86 135.00 134.48 3fku s PRO 14 Ca 0.33 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3fku s PRO 14 Cb -0.09 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3fku s PRO 14 CO 0.27 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3fku n GLY 15 N 0.48 2.58 1.04 0.52 0.00 -1.25 -4.98 105.19 103.58 3fku n GLY 15 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3fku n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fku n SER 16 N 0.00 -0.75 -3.38 1.61 7.64 -1.13 -4.34 113.62 113.27 3fku n SER 16 Ca 0.00 -0.88 -0.14 0.00 1.01 0.00 0.00 58.87 58.87 3fku n SER 16 Cb 0.00 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.83 3fku n SER 16 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fku s SER 17 N -2.36 1.06 0.46 6.43 1.04 -1.26 -2.64 113.70 116.43 3fku s SER 17 Ca 0.21 -0.44 -0.22 0.00 0.48 0.00 0.00 55.95 55.98 3fku s SER 17 Cb -0.01 0.76 -0.08 0.00 0.10 0.00 0.00 66.02 66.79 3fku s SER 17 CO 0.15 -0.36 1.13 0.68 0.98 0.00 0.00 173.24 175.83 3fku s VAL 18 N 2.44 3.26 -0.23 5.02 -7.23 -1.20 -4.91 120.40 117.55 3fku s VAL 18 Ca 0.10 0.92 0.02 0.00 -1.81 0.00 0.00 61.98 61.20 3fku s VAL 18 Cb -0.14 -3.45 0.05 0.00 0.56 0.00 0.00 36.38 33.40 3fku s VAL 18 CO -0.27 -0.04 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.62 3fku s LYS 19 N -2.78 2.16 -0.04 4.82 2.20 -1.26 -2.18 119.74 122.67 3fku s LYS 19 Ca 0.64 -1.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.12 3fku s LYS 19 Cb -0.26 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3fku s LYS 19 CO 0.31 -0.50 0.18 0.08 -0.36 0.00 0.00 175.35 175.07 3fku s VAL 20 N 1.25 5.45 -0.00 4.02 1.01 -0.20 -4.96 120.40 126.97 3fku s VAL 20 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3fku s VAL 20 Cb -0.18 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3fku s VAL 20 CO -0.07 0.42 -0.23 -0.94 0.00 0.00 0.00 175.10 174.28 3fku s SER 21 N -1.65 2.71 -0.21 3.32 1.04 -1.26 -0.52 113.70 117.13 3fku s SER 21 Ca 0.24 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.23 3fku s SER 21 Cb -0.12 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.75 3fku s SER 21 CO 0.14 0.26 -0.12 0.00 0.98 0.00 0.00 173.24 174.51 3fku s THR 23 N 1.32 4.71 0.42 0.00 2.01 0.17 -0.27 115.64 124.00 3fku s THR 23 Ca -0.02 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 3fku s THR 23 Cb -0.17 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 3fku s THR 23 CO -0.08 0.37 0.94 -0.55 -0.69 0.00 0.00 174.62 174.61 3fku s SER 24 N 1.10 6.95 0.05 3.53 0.15 -0.50 -1.66 113.70 123.32 3fku s SER 24 Ca 0.05 1.67 -0.25 0.00 0.70 0.00 0.00 55.95 58.12 3fku s SER 24 Cb -0.14 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.47 3fku s SER 24 CO 0.04 -0.34 1.54 -1.28 1.20 0.00 0.00 173.24 174.40 3fku h SER 25 N 1.98 -0.16 -2.44 5.45 0.87 -1.24 -3.47 113.55 114.53 3fku h SER 25 Ca -0.49 -0.12 -0.57 0.00 -1.23 0.00 0.00 61.79 59.38 3fku h SER 25 Cb 1.18 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.09 3fku h SER 25 CO 0.61 0.03 -0.63 -1.83 -0.53 0.00 0.00 176.83 174.48 3fku s GLU 26 N -5.53 2.42 0.24 2.24 -1.05 -1.26 -4.97 118.70 110.79 3fku s GLU 26 Ca -0.14 -1.26 -0.05 0.00 -0.15 0.00 0.00 54.97 53.37 3fku s GLU 26 Cb 0.04 -2.28 0.41 0.00 -0.44 0.00 0.00 34.13 31.86 3fku s GLU 26 CO 0.64 0.40 1.76 0.28 0.95 0.00 0.00 175.26 179.29 3fku h VAL 27 N 2.04 0.75 0.00 1.83 2.07 -2.02 -3.20 116.25 117.72 3fku h VAL 27 Ca -0.46 -0.19 -0.69 0.00 0.82 0.00 0.00 66.70 66.18 3fku h VAL 27 Cb 1.23 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3fku h VAL 27 CO 0.59 0.10 3.07 0.35 0.02 0.00 0.00 177.57 181.70 3fku n THR 28 N -4.92 3.27 -0.10 2.57 -2.24 -1.26 -4.49 114.28 107.11 3fku n THR 28 Ca 0.13 -2.75 -0.14 0.00 -2.27 0.00 0.00 64.05 59.02 3fku n THR 28 Cb 0.35 -2.56 -0.05 0.00 -2.10 0.00 0.00 70.33 65.97 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 6.07 0.07 -0.31 4.78 7.35 -1.21 -4.47 117.46 129.73 3fku n PHE 29 Ca 0.54 0.03 0.30 0.00 -0.76 0.00 0.00 57.45 57.56 3fku n PHE 29 Cb 0.38 -0.65 0.66 0.00 0.35 0.00 0.00 39.48 40.22 3fku n PHE 29 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3fku h SER 30 N -1.00 0.17 0.55 -2.13 0.02 -1.90 -1.63 113.55 107.62 3fku h SER 30 Ca -0.18 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3fku h SER 30 Cb 1.13 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3fku h SER 30 CO -0.11 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.07 3fku n SER 31 N -4.36 0.00 -4.03 3.07 3.41 -1.26 -2.47 113.62 107.98 3fku n SER 31 Ca 0.25 0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 3fku n SER 31 Cb 1.09 -0.39 -0.17 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.78 1.73 0.15 7.33 0.40 -0.62 -4.12 117.98 120.07 3fku s PHE 32 Ca 0.15 -0.75 -0.31 0.00 -0.60 0.00 0.00 56.93 55.42 3fku s PHE 32 Cb 0.14 -1.27 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 3fku s PHE 32 CO 0.35 -0.40 1.40 0.00 0.70 0.00 0.00 175.22 177.27 3fku s ALA 33 N 0.92 3.61 -0.15 5.36 0.00 -0.65 -4.52 121.76 126.34 3fku s ALA 33 Ca -0.09 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 3fku s ALA 33 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3fku s ALA 33 CO 0.00 -0.63 0.05 0.42 0.00 0.00 0.00 175.76 175.60 3fku s ILE 34 N 0.85 4.71 -0.05 0.00 1.01 -0.68 -0.79 121.20 126.25 3fku s ILE 34 Ca 0.64 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.24 3fku s ILE 34 Cb -0.38 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3fku s ILE 34 CO 0.33 0.53 -0.14 -0.44 0.00 0.00 0.00 174.94 175.22 3fku s SER 35 N -0.18 1.85 -0.02 3.58 0.01 -0.38 -0.25 113.70 118.30 3fku s SER 35 Ca 0.07 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 3fku s SER 35 Cb -0.12 -0.66 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 3fku s SER 35 CO 0.01 0.09 0.48 0.26 0.41 0.00 0.00 173.24 174.49 3fku s TRP 36 N 0.32 3.68 -0.21 2.43 0.52 -0.10 0.11 118.94 125.69 3fku s TRP 36 Ca -0.08 1.04 -0.04 0.00 0.02 0.00 0.00 56.10 57.03 3fku s TRP 36 Cb -0.13 -2.44 0.11 0.00 -1.15 0.00 0.00 33.47 29.86 3fku s TRP 36 CO 0.03 0.47 0.32 0.08 0.02 0.00 0.00 176.95 177.86 3fku s VAL 37 N -0.50 -0.50 0.41 4.03 1.01 -0.33 -2.64 120.40 121.88 3fku s VAL 37 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3fku s VAL 37 Cb -0.17 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3fku s VAL 37 CO 0.14 -0.08 0.64 0.00 0.00 0.00 0.00 175.10 175.79 3fku s ARG 38 N 2.47 3.37 -0.16 2.72 1.70 -0.21 -2.76 118.95 126.08 3fku s ARG 38 Ca 0.08 -0.26 -0.04 0.00 -0.47 0.00 0.00 55.73 55.03 3fku s ARG 38 Cb -0.15 -2.57 0.07 0.00 -0.57 0.00 0.00 34.95 31.73 3fku s ARG 38 CO -0.13 -0.06 0.14 -1.14 -1.08 0.00 0.00 175.30 173.04 3fku s GLN 39 N -4.48 0.09 0.04 3.89 0.74 -0.49 -1.13 119.66 118.32 3fku s GLN 39 Ca 0.44 0.13 -0.31 0.00 0.05 0.00 0.00 55.36 55.67 3fku s GLN 39 Cb -0.10 -1.34 -0.06 0.00 1.10 0.00 0.00 33.01 32.61 3fku s GLN 39 CO 0.38 -0.60 1.39 0.00 -0.55 0.00 0.00 175.29 175.92 3fku s ALA 40 N 2.23 3.57 -0.54 1.58 0.00 -1.25 -2.27 121.76 125.08 3fku s ALA 40 Ca 0.04 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 3fku s ALA 40 Cb -0.15 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 3fku s ALA 40 CO -0.09 -0.80 2.43 -2.30 0.00 0.00 0.00 175.76 175.00 3fku n PRO 41 N 4.87 0.96 0.00 0.00 -0.02 -1.26 -0.23 135.00 139.31 3fku n PRO 41 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3fku n PRO 41 Cb 0.43 -3.01 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 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 6.12 3.45 0.63 -1.23 0.00 -1.26 -5.11 105.19 107.78 3fku n GLY 42 Ca 0.42 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.56 0.00 1.61 3.00 0.68 -5.13 117.38 118.09 3fku n GLN 43 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 3fku n GLN 43 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 30.24 30.14 3fku n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 44 N 3.78 1.21 3.53 1.08 0.00 -1.26 -4.51 105.19 109.01 3fku n GLY 44 Ca 0.03 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 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 2.84 -0.11 0.99 1.43 -1.26 -3.80 118.68 118.76 3fku s LEU 45 Ca 0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3fku s LEU 45 Cb 0.00 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.71 3fku s LEU 45 CO 0.00 0.12 0.27 -0.70 0.23 0.00 0.00 176.35 176.27 3fku s GLU 46 N -2.70 0.25 -0.14 1.70 2.12 -0.29 -4.80 118.70 114.84 3fku s GLU 46 Ca 0.23 0.53 -0.24 0.00 0.36 0.00 0.00 54.97 55.85 3fku s GLU 46 Cb -0.09 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.22 3fku s GLU 46 CO 0.13 -0.14 0.76 -0.46 -0.54 0.00 0.00 175.26 175.01 3fku s TRP 47 N 1.08 3.46 -0.12 5.30 -0.00 -1.26 -1.04 118.94 126.35 3fku s TRP 47 Ca -0.08 1.19 -0.07 0.00 -0.00 0.00 0.00 56.10 57.15 3fku s TRP 47 Cb -0.09 -2.91 -0.02 0.00 -0.00 0.00 0.00 33.47 30.45 3fku s TRP 47 CO -0.08 -0.13 -0.14 -0.07 -0.00 0.00 0.00 176.95 176.54 3fku h LEU 48 N 7.84 0.00 -7.79 5.86 4.07 -1.89 -3.42 115.31 119.97 3fku h LEU 48 Ca -0.33 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.81 3fku h LEU 48 Cb 1.15 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 3fku h LEU 48 CO 0.80 0.65 0.58 -0.83 -1.08 0.00 0.00 178.44 178.55 3fku s GLY 49 N -3.98 -0.05 -0.10 0.83 0.00 -1.23 -1.01 107.32 101.78 3fku s GLY 49 Ca -0.11 -0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.31 3fku s GLY 49 CO 0.17 1.46 0.50 -0.32 0.00 0.00 0.00 173.10 174.91 3fku s GLY 50 N -3.22 -0.37 0.04 0.20 0.00 -0.40 -0.92 107.32 102.65 3fku s GLY 50 Ca 0.18 1.08 0.08 0.00 0.00 0.00 0.00 44.72 46.06 3fku s GLY 50 CO 0.03 0.84 -0.22 -1.50 0.00 0.00 0.00 173.10 172.25 3fku s ILE 51 N -0.60 1.81 -0.38 0.90 2.07 0.65 -0.70 121.20 124.95 3fku s ILE 51 Ca -0.07 -1.22 -0.27 0.00 -1.41 0.00 0.00 60.65 57.68 3fku s ILE 51 Cb -0.03 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.02 3fku s ILE 51 CO 0.04 0.29 0.99 -0.55 -1.91 0.00 0.00 174.94 173.80 3fku s SER 52 N -1.11 6.72 0.48 4.50 0.15 -0.98 -1.69 113.70 121.77 3fku s SER 52 Ca 0.09 0.65 0.29 0.00 0.70 0.00 0.00 55.95 57.67 3fku s SER 52 Cb -0.09 -2.49 0.91 0.00 -1.71 0.00 0.00 66.02 62.64 3fku s SER 52 CO 0.02 -0.93 1.81 -0.65 1.20 0.00 0.00 173.24 174.69 3fku h PRO 53 N 8.52 0.00 0.23 5.44 0.11 -1.77 0.47 132.00 145.00 3fku h PRO 53 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3fku h PRO 53 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fku h PRO 53 CO 1.02 0.00 -0.11 1.98 -0.21 0.00 0.00 178.00 180.67 3fku h MET 54 N 0.00 -0.30 0.00 1.05 1.85 -1.80 -3.38 114.93 112.35 3fku h MET 54 Ca 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3fku h MET 54 Cb 0.71 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.81 3fku h MET 54 CO 0.00 0.02 -0.99 1.19 -0.40 0.00 0.00 176.91 176.74 3fku n PHE 55 N -4.98 0.57 -0.99 1.39 3.72 -1.21 -4.97 117.46 110.99 3fku n PHE 55 Ca -0.07 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3fku n PHE 55 Cb 0.23 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 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 1.29 0.50 3.57 1.37 0.00 0.17 -4.99 105.19 107.09 3fku n GLY 56 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3fku n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fku s THR 57 N -2.09 3.83 0.10 2.61 -1.32 -1.24 -4.82 115.64 112.71 3fku s THR 57 Ca 0.00 0.69 -0.03 0.00 -1.21 0.00 0.00 61.69 61.15 3fku s THR 57 Cb 0.00 -4.54 -0.05 0.00 -1.51 0.00 0.00 72.50 66.40 3fku s THR 57 CO 0.00 -1.27 0.30 -2.16 -2.21 0.00 0.00 174.62 169.28 3fku s PRO 58 N 5.42 3.54 0.03 7.08 0.04 -1.26 -2.33 135.00 147.53 3fku s PRO 58 Ca 0.49 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.38 3fku s PRO 58 Cb -0.10 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3fku s PRO 58 CO 0.24 0.54 -0.24 -0.80 0.04 0.00 0.00 177.00 176.77 3fku s ASN 59 N -2.42 2.89 0.15 6.66 -0.87 0.12 -4.98 114.94 116.49 3fku s ASN 59 Ca 0.38 -0.54 0.07 0.00 -1.57 0.00 0.00 52.86 51.19 3fku s ASN 59 Cb -0.13 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.25 40.80 3fku s ASN 59 CO 0.26 0.23 -0.15 -0.31 -2.57 0.00 0.00 177.10 174.56 3fku s TYR 60 N -0.76 1.56 0.39 2.20 1.51 -1.26 -1.28 117.35 119.71 3fku s TYR 60 Ca 0.10 -0.55 -0.24 0.00 -1.01 0.00 0.00 57.07 55.38 3fku s TYR 60 Cb -0.09 -0.79 -0.10 0.00 -0.11 0.00 0.00 41.96 40.87 3fku s TYR 60 CO 0.01 0.23 0.98 0.00 -1.11 0.00 0.00 175.55 175.67 3fku s ALA 61 N -2.32 3.10 0.41 3.71 0.00 -0.18 -4.86 121.76 121.62 3fku s ALA 61 Ca 0.13 0.55 0.16 0.00 0.00 0.00 0.00 51.96 52.80 3fku s ALA 61 Cb -0.04 -3.21 1.03 0.00 0.00 0.00 0.00 23.12 20.91 3fku s ALA 61 CO 0.04 0.01 1.86 1.96 0.00 0.00 0.00 175.76 179.63 3fku h GLN 62 N 2.53 0.44 -0.44 0.00 4.20 -1.91 -1.41 115.11 118.52 3fku h GLN 62 Ca -0.48 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.32 3fku h GLN 62 Cb 1.20 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 3fku h GLN 62 CO 0.63 0.29 0.31 -0.22 -0.67 0.00 0.00 178.83 179.17 3fku h LYS 63 N 0.46 0.07 -0.07 1.46 3.64 -1.96 -2.58 116.57 117.59 3fku h LYS 63 Ca 0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3fku h LYS 63 Cb 1.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3fku h LYS 63 CO -0.19 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.23 3fku n PHE 64 N -4.43 0.14 -0.26 1.91 3.72 -0.57 -4.93 117.46 113.04 3fku n PHE 64 Ca 0.07 -0.65 -0.08 0.00 -0.05 0.00 0.00 57.45 56.74 3fku n PHE 64 Cb 0.47 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.45 -0.17 0.00 -1.08 5.75 -1.02 -1.80 115.11 117.24 3fku h GLN 65 Ca 0.00 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 3fku h GLN 65 Cb 0.73 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 3fku h GLN 65 CO 0.02 -0.11 -1.37 0.41 -2.65 0.00 0.00 178.83 175.12 3fku n GLY 66 N -1.39 -1.27 0.18 2.39 0.00 -1.26 -4.46 105.19 99.39 3fku n GLY 66 Ca 0.02 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3fku n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fku h ARG 67 N 0.00 0.00 -5.04 1.61 3.08 -1.68 -3.43 114.38 108.93 3fku h ARG 67 Ca -0.11 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.28 3fku h ARG 67 Cb 1.35 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 31.04 3fku h ARG 67 CO 0.02 0.35 -0.86 0.08 -1.07 0.00 0.00 179.97 178.50 3fku s VAL 68 N -3.38 2.03 -0.29 2.04 1.01 -1.05 -0.92 120.40 119.84 3fku s VAL 68 Ca 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3fku s VAL 68 Cb 0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3fku s VAL 68 CO 0.69 0.53 0.18 -0.89 0.00 0.00 0.00 175.10 175.62 3fku s THR 69 N 1.30 5.13 -0.07 3.92 2.01 -0.72 -4.94 115.64 122.27 3fku s THR 69 Ca 0.05 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3fku s THR 69 Cb -0.13 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.89 3fku s THR 69 CO -0.13 0.19 -0.16 0.27 -0.69 0.00 0.00 174.62 174.10 3fku s ILE 70 N 1.72 1.43 0.22 1.82 -5.25 -1.26 -0.57 121.20 119.32 3fku s ILE 70 Ca 0.07 -0.66 -0.10 0.00 -0.99 0.00 0.00 60.65 58.96 3fku s ILE 70 Cb -0.16 -1.27 -0.01 0.00 2.95 0.00 0.00 42.46 43.97 3fku s ILE 70 CO 0.10 0.42 0.39 0.42 -1.79 0.00 0.00 174.94 174.48 3fku s THR 71 N 0.49 0.01 -0.10 8.37 -4.23 0.37 -4.83 115.64 115.71 3fku s THR 71 Ca -0.14 -1.49 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 3fku s THR 71 Cb -0.16 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.55 3fku s THR 71 CO 0.05 -0.05 0.11 0.00 -0.54 0.00 0.00 174.62 174.19 3fku s ALA 72 N -4.03 0.14 0.27 3.99 0.00 -1.26 0.23 121.76 121.09 3fku s ALA 72 Ca 0.24 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 3fku s ALA 72 Cb 0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 3fku s ALA 72 CO 0.08 -0.74 1.22 0.34 0.00 0.00 0.00 175.76 176.66 3fku s ASP 73 N 2.21 7.00 -0.08 0.00 3.68 -0.87 -4.96 116.67 123.64 3fku s ASP 73 Ca 0.04 2.44 0.19 0.00 2.13 0.00 0.00 52.55 57.34 3fku s ASP 73 Cb -0.13 -2.63 -0.24 0.00 -1.45 0.00 0.00 42.92 38.46 3fku s ASP 73 CO -0.06 -0.38 0.39 0.00 0.13 0.00 0.00 175.17 175.25 3fku n GLN 74 N 1.50 0.66 -0.05 4.34 6.02 -1.26 -2.88 117.38 125.71 3fku n GLN 74 Ca 0.01 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.93 3fku n GLN 74 Cb 0.43 -1.60 0.09 0.00 1.02 0.00 0.00 30.24 30.18 3fku n GLN 74 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3fku h SER 75 N 0.00 0.71 -0.38 1.08 0.02 -1.98 -3.22 113.55 109.79 3fku h SER 75 Ca -0.30 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3fku h SER 75 Cb 1.74 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.08 3fku h SER 75 CO 0.03 0.99 0.00 0.35 -1.14 0.00 0.00 176.83 177.05 3fku n THR 76 N -4.06 0.65 -4.26 -2.27 -2.24 -1.26 -5.00 114.28 95.84 3fku n THR 76 Ca -0.01 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.64 3fku n THR 76 Cb 0.49 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.12 -1.23 -4.36 -0.78 1.74 -1.22 -4.83 116.66 107.10 3fku n ARG 77 Ca 0.16 0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 57.14 3fku n ARG 77 Cb 0.51 -3.67 -0.17 0.00 -1.02 0.00 0.00 32.46 28.11 3fku n ARG 77 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3fku s THR 78 N -4.31 0.88 -0.19 0.55 -1.32 -1.14 -1.41 115.64 108.70 3fku s THR 78 Ca 0.01 -0.32 -0.14 0.00 -1.21 0.00 0.00 61.69 60.04 3fku s THR 78 Cb -0.01 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.09 3fku s THR 78 CO 0.98 0.30 0.30 0.00 -2.21 0.00 0.00 174.62 174.00 3fku s ALA 79 N 0.85 3.58 -0.06 11.08 0.00 0.62 -2.05 121.76 135.79 3fku s ALA 79 Ca -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 3fku s ALA 79 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3fku s ALA 79 CO 0.01 -0.09 0.05 0.71 0.00 0.00 0.00 175.76 176.44 3fku s TYR 80 N 0.86 3.27 -0.12 0.00 2.02 0.61 -0.26 117.35 123.73 3fku s TYR 80 Ca 0.16 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.10 3fku s TYR 80 Cb -0.14 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3fku s TYR 80 CO 0.05 0.54 -0.04 1.41 -1.57 0.00 0.00 175.55 175.95 3fku s MET 81 N -1.20 1.12 -0.54 -0.62 1.75 0.32 -0.48 119.30 119.65 3fku s MET 81 Ca 0.17 -0.20 -0.03 0.00 -1.25 0.00 0.00 55.69 54.38 3fku s MET 81 Cb -0.12 -1.51 0.14 0.00 2.84 0.00 0.00 34.83 36.19 3fku s MET 81 CO 0.06 -0.34 0.35 0.34 -0.65 0.00 0.00 175.02 174.78 3fku s ASP 82 N 1.80 5.23 0.13 1.11 2.15 0.27 -1.03 116.67 126.33 3fku s ASP 82 Ca 0.04 -2.53 -0.22 0.00 0.43 0.00 0.00 52.55 50.26 3fku s ASP 82 Cb -0.13 -1.84 -0.07 0.00 -0.30 0.00 0.00 42.92 40.57 3fku s ASP 82 CO -0.07 -0.44 0.68 -0.22 -0.17 0.00 0.00 175.17 174.95 3fku s LEU 83 N 0.41 4.54 0.15 -1.34 2.96 -0.93 -1.76 118.68 122.72 3fku s LEU 83 Ca 0.13 1.45 0.10 0.00 -0.22 0.00 0.00 54.13 55.59 3fku s LEU 83 Cb -0.21 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 3fku s LEU 83 CO -0.04 0.22 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.86 3fku s ARG 84 N -1.23 1.31 -1.00 1.98 0.52 -0.10 -3.20 118.95 117.22 3fku s ARG 84 Ca 0.34 -1.36 -0.03 0.00 -0.52 0.00 0.00 55.73 54.16 3fku s ARG 84 Cb -0.21 -1.57 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 3fku s ARG 84 CO 0.23 0.35 0.86 0.43 0.02 0.00 0.00 175.30 177.18 3fku n SER 85 N 0.62 -4.33 -4.52 0.23 7.64 -1.08 -4.84 113.62 107.34 3fku n SER 85 Ca -0.16 -0.60 -0.42 0.00 1.01 0.00 0.00 58.87 58.70 3fku n SER 85 Cb 0.55 -4.71 -0.08 0.00 -1.01 0.00 0.00 64.21 58.96 3fku n SER 85 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3fku s LEU 86 N -5.49 4.58 0.00 -3.43 0.05 -1.24 -4.82 118.68 108.32 3fku s LEU 86 Ca 0.23 -0.35 0.00 0.00 0.05 0.00 0.00 54.13 54.05 3fku s LEU 86 Cb -0.03 -2.54 0.00 0.00 -2.05 0.00 0.00 46.19 41.57 3fku s LEU 86 CO 0.66 -0.59 0.00 0.54 -0.55 0.00 0.00 176.35 176.41 3fku n ARG 87 N 5.83 2.00 0.20 1.48 3.00 -1.26 -3.79 116.66 124.12 3fku n ARG 87 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.84 3fku n ARG 87 Cb 0.48 0.00 0.41 0.00 0.00 0.00 0.00 32.46 33.35 3fku n ARG 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3fku h SER 88 N 0.00 0.00 -0.50 0.55 0.87 -1.97 -2.92 113.55 109.59 3fku h SER 88 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3fku h SER 88 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3fku h SER 88 CO 0.00 0.34 0.29 -0.08 -0.53 0.00 0.00 176.83 176.85 3fku h GLU 89 N 0.00 0.68 0.00 2.24 4.81 -2.00 -2.96 114.58 117.35 3fku h GLU 89 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3fku h GLU 89 Cb 0.73 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3fku h GLU 89 CO 0.04 0.51 0.00 -0.25 -0.73 0.00 0.00 179.01 178.59 3fku n ASP 90 N -4.68 0.00 -4.67 1.04 8.00 -1.10 -4.73 116.55 110.41 3fku n ASP 90 Ca 0.02 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 3fku n ASP 90 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3fku n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fku s THR 91 N -2.00 3.69 0.17 -3.53 2.01 -1.12 -4.95 115.64 109.92 3fku s THR 91 Ca 0.21 0.90 -0.24 0.00 0.31 0.00 0.00 61.69 62.87 3fku s THR 91 Cb 0.10 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 69.09 3fku s THR 91 CO 0.16 -0.06 0.95 0.00 -0.69 0.00 0.00 174.62 174.98 3fku s ALA 92 N 3.60 -1.59 -0.13 7.40 0.00 -1.05 -4.55 121.76 125.44 3fku s ALA 92 Ca 0.69 0.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 3fku s ALA 92 Cb -0.31 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3fku s ALA 92 CO 0.27 -1.05 0.67 0.14 0.00 0.00 0.00 175.76 175.79 3fku s VAL 93 N -3.16 5.03 -0.38 0.00 -7.23 -0.96 -0.73 120.40 112.97 3fku s VAL 93 Ca 0.13 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 3fku s VAL 93 Cb -0.02 -4.00 0.11 0.00 0.56 0.00 0.00 36.38 33.03 3fku s VAL 93 CO 0.03 0.18 0.13 -0.31 -0.31 0.00 0.00 175.10 174.83 3fku s TYR 94 N 1.35 3.67 0.42 2.82 1.51 0.90 -1.40 117.35 126.62 3fku s TYR 94 Ca 0.33 -2.68 -0.11 0.00 -1.01 0.00 0.00 57.07 53.60 3fku s TYR 94 Cb -0.17 -3.09 -0.07 0.00 -0.11 0.00 0.00 41.96 38.53 3fku s TYR 94 CO 0.14 -0.96 0.80 0.71 -1.11 0.00 0.00 175.55 175.12 3fku s TYR 95 N 1.03 3.47 0.12 2.71 2.02 -1.11 -3.36 117.35 122.23 3fku s TYR 95 Ca 0.09 1.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.92 3fku s TYR 95 Cb -0.21 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 3fku s TYR 95 CO -0.06 -0.14 0.19 0.00 -1.57 0.00 0.00 175.55 173.97 3fku s ALA 97 N -1.63 -0.55 0.28 0.00 0.00 0.29 -1.90 121.76 118.25 3fku s ALA 97 Ca 0.33 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 3fku s ALA 97 Cb -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 3fku s ALA 97 CO 0.26 -0.39 0.98 0.50 0.00 0.00 0.00 175.76 177.10 3fku s ARG 98 N 1.77 4.70 -0.18 0.00 3.00 0.38 -1.26 118.95 127.36 3fku s ARG 98 Ca -0.05 1.50 -0.01 0.00 -1.00 0.00 0.00 55.73 56.17 3fku s ARG 98 Cb -0.11 -3.08 -0.00 0.00 0.00 0.00 0.00 34.95 31.76 3fku s ARG 98 CO -0.08 0.35 -0.12 0.45 0.00 0.00 0.00 175.30 175.90 3fku s SER 99 N -1.27 3.85 0.62 -2.12 0.15 0.03 -2.36 113.70 112.60 3fku s SER 99 Ca 0.45 -0.46 0.35 0.00 0.70 0.00 0.00 55.95 57.00 3fku s SER 99 Cb -0.25 -1.62 1.92 0.00 -1.71 0.00 0.00 66.02 64.36 3fku s SER 99 CO 0.31 0.03 2.08 1.55 1.20 0.00 0.00 173.24 178.41 3fku h PRO 100 N 7.69 0.00 -7.10 5.44 0.13 -1.88 -3.22 132.00 133.06 3fku h PRO 100 Ca -0.38 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.29 3fku h PRO 100 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.38 3fku h PRO 100 CO 0.60 0.00 0.10 -1.54 -0.23 0.00 0.00 178.00 176.93 3fku s SER 101 N -4.67 4.61 -0.14 1.44 1.04 -1.26 -4.95 113.70 109.77 3fku s SER 101 Ca -0.04 -0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.38 3fku s SER 101 Cb 0.10 -0.43 -0.23 0.00 0.10 0.00 0.00 66.02 65.56 3fku s SER 101 CO 0.32 -1.67 0.29 0.00 0.98 0.00 0.00 173.24 173.16 3fku n TYR 102 N -2.76 0.55 -4.45 5.02 4.11 -1.26 -1.63 117.16 116.75 3fku n TYR 102 Ca 0.12 0.17 -0.23 0.00 -0.00 0.00 0.00 57.90 57.96 3fku n TYR 102 Cb 0.60 -1.09 -0.13 0.00 -0.00 0.00 0.00 39.34 38.72 3fku n TYR 102 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 3fku s ILE 103 N -2.54 1.51 -0.87 -3.48 2.07 -1.26 -3.10 121.20 113.52 3fku s ILE 103 Ca -0.13 -1.25 -0.19 0.00 -1.41 0.00 0.00 60.65 57.67 3fku s ILE 103 Cb 0.07 -1.35 0.13 0.00 0.13 0.00 0.00 42.46 41.44 3fku s ILE 103 CO 0.79 0.06 1.06 0.00 -1.91 0.00 0.00 174.94 174.94 3fku n SER 105 N 6.49 -1.88 0.00 0.00 3.41 -1.26 -4.68 113.62 115.70 3fku n SER 105 Ca 0.18 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 3fku n SER 105 Cb 0.48 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 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 -0.67 1.03 0.29 5.00 0.00 -1.26 -5.01 105.19 104.58 3fku n GLY 106 Ca -0.04 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.27 3fku n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fku h GLY 107 N 0.00 0.00 1.37 -0.02 0.00 -1.96 -0.09 103.07 102.37 3fku h GLY 107 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3fku h GLY 107 CO 0.00 0.00 0.24 -0.91 0.00 0.00 0.00 176.54 175.87 3fku h THR 108 N 0.00 0.70 -0.30 4.70 1.35 -1.94 -3.39 112.91 114.03 3fku h THR 108 Ca 0.04 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.84 3fku h THR 108 Cb 0.19 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3fku h THR 108 CO -0.00 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.46 3fku s VAL 110 N 14.95 2.03 -0.22 0.00 -7.23 -1.26 -4.75 120.40 123.93 3fku s VAL 110 Ca 0.84 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3fku s VAL 110 Cb -0.08 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.15 3fku s VAL 110 CO 0.12 0.00 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.43 3fku s PHE 111 N -2.67 2.70 -0.17 2.82 0.08 -1.26 -4.12 117.98 115.36 3fku s PHE 111 Ca 0.35 -1.83 0.10 0.00 0.12 0.00 0.00 56.93 55.68 3fku s PHE 111 Cb 0.03 -1.75 -0.18 0.00 -0.57 0.00 0.00 43.02 40.55 3fku s PHE 111 CO 0.19 -0.79 -0.01 -0.40 -0.10 0.00 0.00 175.22 174.11 3fku n ASP 112 N 4.60 1.48 -4.25 1.36 5.68 -0.99 -4.29 116.55 120.14 3fku n ASP 112 Ca -0.15 -0.03 -0.24 0.00 -0.50 0.00 0.00 54.79 53.87 3fku n ASP 112 Cb 0.45 0.54 -0.13 0.00 -1.14 0.00 0.00 41.12 40.84 3fku n ASP 112 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3fku s HIS 113 N -2.39 1.68 -0.01 2.11 3.76 -1.25 -4.18 115.29 115.02 3fku s HIS 113 Ca -0.13 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.33 3fku s HIS 113 Cb 0.05 -0.96 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 3fku s HIS 113 CO 0.60 0.13 0.10 -1.58 -0.85 0.00 0.00 174.74 173.14 3fku s TRP 114 N -0.99 0.04 0.73 1.40 0.52 -1.26 -0.47 118.94 118.91 3fku s TRP 114 Ca 0.06 -0.10 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 3fku s TRP 114 Cb -0.09 -0.05 0.05 0.00 -1.15 0.00 0.00 33.47 32.23 3fku s TRP 114 CO 0.03 -0.21 1.08 0.20 0.02 0.00 0.00 176.95 178.06 3fku s GLY 115 N -1.05 1.63 0.37 0.98 0.00 -0.80 -4.61 107.32 103.84 3fku s GLY 115 Ca -0.11 -0.69 0.11 0.00 0.00 0.00 0.00 44.72 44.03 3fku s GLY 115 CO 0.01 -0.27 1.85 0.06 0.00 0.00 0.00 173.10 174.74 3fku h GLN 116 N -0.72 0.12 0.00 2.90 -0.00 -1.92 -3.46 115.11 112.03 3fku h GLN 116 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3fku h GLN 116 Cb 1.30 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 3fku h GLN 116 CO 0.63 0.40 0.00 0.41 -0.00 0.00 0.00 178.83 180.27 3fku n GLY 117 N -0.59 2.40 3.41 0.06 0.00 -1.26 -4.66 105.19 104.54 3fku n GLY 117 Ca -0.02 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 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 3.84 -0.28 2.61 2.01 -1.21 -4.88 115.64 117.73 3fku s THR 118 Ca 0.00 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 3fku s THR 118 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 3fku s THR 118 CO 0.00 0.41 0.74 -0.22 -0.69 0.00 0.00 174.62 174.87 3fku s LEU 119 N 1.24 4.08 -0.33 4.42 2.96 -1.26 -0.07 118.68 129.72 3fku s LEU 119 Ca 0.03 0.75 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 3fku s LEU 119 Cb -0.15 -3.02 0.09 0.00 0.50 0.00 0.00 46.19 43.61 3fku s LEU 119 CO 0.01 -0.51 0.03 -0.69 -1.32 0.00 0.00 176.35 173.87 3fku s VAL 120 N 2.78 2.43 -0.11 1.68 1.01 0.09 -2.90 120.40 125.38 3fku s VAL 120 Ca 0.31 -2.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 3fku s VAL 120 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3fku s VAL 120 CO 0.10 -0.47 0.00 -0.89 0.00 0.00 0.00 175.10 173.84 3fku s THR 121 N 0.99 4.32 -0.01 3.92 2.01 -1.04 -2.52 115.64 123.31 3fku s THR 121 Ca 0.06 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 3fku s THR 121 Cb -0.20 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 3fku s THR 121 CO -0.07 0.57 -0.03 0.52 -0.69 0.00 0.00 174.62 174.93 3fku n VAL 122 N 2.48 0.12 -3.78 3.82 0.31 -1.26 -1.05 118.33 118.98 3fku n VAL 122 Ca -0.18 0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 64.52 3fku n VAL 122 Cb 0.53 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.83 3fku n VAL 122 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3fku s ILE 139 N -1.14 0.10 -0.46 2.52 -4.36 -1.26 -4.90 121.20 111.70 3fku s ILE 139 Ca -0.02 -0.84 0.07 0.00 -0.26 0.00 0.00 60.65 59.59 3fku s ILE 139 Cb 0.00 -1.10 0.18 0.00 1.25 0.00 0.00 42.46 42.79 3fku s ILE 139 CO 0.03 -0.47 0.63 -1.58 0.24 0.00 0.00 174.94 173.80 3fku s GLN 140 N -3.18 0.93 0.59 0.37 2.00 -1.26 -5.16 119.66 113.96 3fku s GLN 140 Ca -0.00 -0.82 -0.19 0.00 -2.00 0.00 0.00 55.36 52.34 3fku s GLN 140 Cb 0.01 -0.15 -0.03 0.00 0.80 0.00 0.00 33.01 33.64 3fku s GLN 140 CO -0.07 -1.27 1.24 -2.14 -0.50 0.00 0.00 175.29 172.55 3fku s PRO 141 N 1.23 2.93 -0.02 1.67 0.02 -1.26 -4.98 135.00 134.59 3fku s PRO 141 Ca 0.24 1.92 0.18 0.00 0.02 0.00 0.00 61.00 63.35 3fku s PRO 141 Cb -0.03 -1.96 -0.26 0.00 0.02 0.00 0.00 34.50 32.27 3fku s PRO 141 CO -0.06 -1.26 0.47 0.41 -0.33 0.00 0.00 177.00 176.22 3fku n GLY 142 N 0.62 -0.77 3.29 0.52 0.00 -1.21 -5.00 105.19 102.65 3fku n GLY 142 Ca 0.14 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3fku n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 143 N -3.91 2.40 -0.54 0.99 1.43 -0.56 -4.92 118.68 113.56 3fku s LEU 143 Ca -0.04 -1.10 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 3fku s LEU 143 Cb 0.12 -0.35 0.13 0.00 0.03 0.00 0.00 46.19 46.11 3fku s LEU 143 CO 0.73 -0.39 0.51 -0.89 0.23 0.00 0.00 176.35 176.54 3fku s THR 144 N -3.32 5.20 -0.16 5.49 2.01 -0.35 -3.93 115.64 120.58 3fku s THR 144 Ca 0.22 -1.50 -0.02 0.00 0.31 0.00 0.00 61.69 60.70 3fku s THR 144 Cb 0.03 -4.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 3fku s THR 144 CO 0.05 -0.88 -0.08 -1.10 -0.69 0.00 0.00 174.62 171.91 3fku s GLN 145 N 1.61 3.44 0.28 4.92 -0.21 -1.26 -1.94 119.66 126.50 3fku s GLN 145 Ca 0.03 -0.63 -0.30 0.00 0.02 0.00 0.00 55.36 54.48 3fku s GLN 145 Cb -0.30 -2.81 -0.13 0.00 1.00 0.00 0.00 33.01 30.78 3fku s GLN 145 CO 0.03 0.08 1.43 -0.35 -2.12 0.00 0.00 175.29 174.36 3fku n PRO 146 N 3.95 2.23 0.15 2.91 -0.04 -1.26 -4.74 135.00 138.20 3fku n PRO 146 Ca -0.18 0.79 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 3fku n PRO 146 Cb 0.52 -2.46 0.35 0.00 -0.04 0.00 0.00 33.50 31.87 3fku n PRO 146 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fku h PRO 147 N 3.93 0.00 -3.56 0.54 0.13 -1.98 -3.39 132.00 127.67 3fku h PRO 147 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 3fku h PRO 147 Cb 1.26 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.12 3fku h PRO 147 CO 0.73 0.00 -0.64 -1.12 -0.23 0.00 0.00 178.00 176.74 3fku s SER 148 N -5.06 -0.07 -0.15 1.44 0.01 -1.26 -3.58 113.70 105.03 3fku s SER 148 Ca 0.09 0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 3fku s SER 148 Cb 0.10 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.53 3fku s SER 148 CO 0.60 -0.03 0.14 -0.69 0.41 0.00 0.00 173.24 173.68 3fku s VAL 149 N 0.05 -0.20 -0.10 3.43 1.01 -0.85 -4.96 120.40 118.77 3fku s VAL 149 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3fku s VAL 149 Cb -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3fku s VAL 149 CO 0.00 -0.13 -0.10 -0.44 0.00 0.00 0.00 175.10 174.43 3fku s SER 150 N 2.23 2.08 0.21 3.32 0.01 -1.26 -1.02 113.70 119.26 3fku s SER 150 Ca 0.04 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 3fku s SER 150 Cb -0.15 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 3fku s SER 150 CO -0.09 -0.05 0.20 -0.54 0.41 0.00 0.00 173.24 173.17 3fku s LYS 151 N 1.24 1.25 0.65 12.44 1.02 -1.06 -5.00 119.74 130.28 3fku s LYS 151 Ca -0.03 -1.53 -0.14 0.00 0.02 0.00 0.00 55.97 54.29 3fku s LYS 151 Cb -0.14 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 3fku s LYS 151 CO -0.03 -0.43 1.07 0.20 -0.92 0.00 0.00 175.35 175.23 3fku s GLY 152 N -3.12 1.97 -0.02 -3.33 0.00 -1.26 -0.84 107.32 100.72 3fku s GLY 152 Ca 0.34 0.34 -0.32 0.00 0.00 0.00 0.00 44.72 45.08 3fku s GLY 152 CO 0.11 0.66 1.95 -0.10 0.00 0.00 0.00 173.10 175.72 3fku n LEU 153 N -2.53 3.85 -0.88 0.66 7.94 -1.21 -2.03 117.00 122.80 3fku n LEU 153 Ca 0.09 0.91 -0.07 0.00 -1.11 0.00 0.00 56.01 55.82 3fku n LEU 153 Cb 0.53 -1.46 -0.00 0.00 0.53 0.00 0.00 43.42 43.01 3fku n LEU 153 CO 0.50 0.08 -0.09 -1.14 -1.11 0.00 0.00 177.39 175.63 3fku n ARG 154 N 7.23 -0.69 0.00 1.96 0.63 -0.13 -4.94 116.66 120.73 3fku n ARG 154 Ca 0.21 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3fku n ARG 154 Cb 0.36 -4.24 0.00 0.00 0.45 0.00 0.00 32.46 29.03 3fku n ARG 154 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3fku n GLN 155 N -1.73 2.79 -3.58 -0.14 1.13 -0.86 -4.61 117.38 110.38 3fku n GLN 155 Ca -0.08 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.73 3fku n GLN 155 Cb 0.56 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.76 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 1.28 -0.15 0.18 5.09 -4.23 -1.26 -0.41 115.64 116.15 3fku s THR 156 Ca 0.00 -0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 3fku s THR 156 Cb 0.00 -0.62 -0.07 0.00 1.34 0.00 0.00 72.50 73.15 3fku s THR 156 CO 0.00 -0.29 0.54 0.00 -0.54 0.00 0.00 174.62 174.33 3fku s ALA 157 N 2.18 3.58 -0.44 3.99 0.00 0.11 -4.93 121.76 126.25 3fku s ALA 157 Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3fku s ALA 157 Cb -0.16 -2.47 0.14 0.00 0.00 0.00 0.00 23.12 20.63 3fku s ALA 157 CO -0.12 0.48 0.27 0.99 0.00 0.00 0.00 175.76 177.39 3fku s THR 158 N -1.62 1.09 0.20 0.00 2.01 -1.26 -0.74 115.64 115.32 3fku s THR 158 Ca 0.42 -2.54 -0.23 0.00 0.31 0.00 0.00 61.69 59.65 3fku s THR 158 Cb -0.13 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 70.53 3fku s THR 158 CO 0.20 -0.98 0.77 -0.76 -0.69 0.00 0.00 174.62 173.16 3fku s LEU 159 N 0.31 4.48 -0.04 4.42 1.02 0.02 -4.88 118.68 124.00 3fku s LEU 159 Ca 0.21 1.58 0.06 0.00 0.02 0.00 0.00 54.13 56.00 3fku s LEU 159 Cb -0.18 -3.47 -0.01 0.00 0.02 0.00 0.00 46.19 42.55 3fku s LEU 159 CO -0.04 0.12 -0.21 -0.89 0.02 0.00 0.00 176.35 175.35 3fku s THR 160 N -1.33 1.72 0.00 5.49 2.01 -1.26 -0.90 115.64 121.37 3fku s THR 160 Ca 0.40 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.57 3fku s THR 160 Cb -0.20 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 3fku s THR 160 CO 0.24 0.49 -0.22 0.00 -0.69 0.00 0.00 174.62 174.44 3fku s THR 162 N -0.61 -0.16 0.00 0.00 2.01 -0.82 -1.10 115.64 114.97 3fku s THR 162 Ca 0.08 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3fku s THR 162 Cb -0.09 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.93 3fku s THR 162 CO 0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 3fku n GLY 163 N 5.30 3.20 1.08 4.40 0.00 -1.07 -1.21 105.19 116.88 3fku n GLY 163 Ca -0.06 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 3fku n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fku n ASN 164 N 0.00 -0.42 -0.23 1.61 0.23 -1.26 -4.87 115.26 110.32 3fku n ASN 164 Ca 0.00 -1.62 0.05 0.00 -0.53 0.00 0.00 54.58 52.49 3fku n ASN 164 Cb 0.00 0.79 0.12 0.00 -2.08 0.00 0.00 39.78 38.61 3fku n ASN 164 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3fku n SER 165 N -2.03 -0.19 0.08 0.53 2.88 -1.26 -0.23 113.62 113.40 3fku n SER 165 Ca 0.00 1.09 -0.01 0.00 -1.33 0.00 0.00 58.87 58.62 3fku n SER 165 Cb 0.19 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.25 3fku n SER 165 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fku h ASN 166 N 0.00 0.00 0.00 -3.46 2.35 -1.96 -2.83 115.58 109.68 3fku h ASN 166 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 3fku h ASN 166 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3fku h ASN 166 CO -0.64 0.65 0.00 -0.46 -1.65 0.00 0.00 177.43 175.33 3fku n ASN 167 N -3.13 0.00 0.08 5.81 0.23 -1.08 -2.85 115.26 114.31 3fku n ASN 167 Ca -0.03 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.97 3fku n ASN 167 Cb 0.83 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.67 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 1.35 -0.69 3.53 2.07 -1.83 -2.62 116.25 118.06 3fku h VAL 168 Ca 0.00 -1.81 0.04 0.00 0.82 0.00 0.00 66.70 65.75 3fku h VAL 168 Cb 0.00 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3fku h VAL 168 CO 0.00 0.54 0.46 1.23 0.02 0.00 0.00 177.57 179.82 3fku h GLY 169 N 1.34 0.95 0.00 2.17 0.00 -0.73 -2.48 103.07 104.32 3fku h GLY 169 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 3fku h GLY 169 CO 0.08 0.28 -1.77 0.70 0.00 0.00 0.00 176.54 175.83 3fku n ASN 170 N -4.46 1.17 0.06 0.19 5.03 -1.07 -4.86 115.26 111.32 3fku n ASN 170 Ca 0.09 0.15 -0.04 0.00 0.87 0.00 0.00 54.58 55.65 3fku n ASN 170 Cb 0.14 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.49 3fku n ASN 170 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3fku h GLN 171 N -0.45 -0.22 0.00 3.52 7.50 -1.59 -3.51 115.11 120.35 3fku h GLN 171 Ca -0.35 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.82 3fku h GLN 171 Cb 1.32 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.90 3fku h GLN 171 CO -0.20 -0.15 0.00 0.41 -1.50 0.00 0.00 178.83 177.39 3fku n GLY 172 N 1.11 2.07 3.58 3.46 0.00 -0.93 -5.01 105.19 109.47 3fku n GLY 172 Ca -0.03 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.13 2.98 -0.01 4.61 0.00 -1.26 -4.69 121.76 121.26 3fku s ALA 173 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.42 3fku s ALA 173 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3fku s ALA 173 CO 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 175.76 176.06 3fku s ALA 174 N -1.96 0.74 0.00 0.00 0.00 -0.94 -4.41 121.76 115.19 3fku s ALA 174 Ca 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 3fku s ALA 174 Cb -0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3fku s ALA 174 CO 0.16 0.17 0.17 -1.58 0.00 0.00 0.00 175.76 174.68 3fku s TRP 175 N -0.16 3.49 -0.08 0.00 0.52 -1.18 -1.99 118.94 119.54 3fku s TRP 175 Ca 0.03 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 3fku s TRP 175 Cb -0.04 -1.80 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3fku s TRP 175 CO -0.00 0.62 -0.04 -0.51 0.02 0.00 0.00 176.95 177.04 3fku s LEU 176 N -1.98 0.95 0.56 2.99 1.43 0.30 -1.69 118.68 121.23 3fku s LEU 176 Ca 0.27 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3fku s LEU 176 Cb -0.13 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 3fku s LEU 176 CO 0.19 -0.14 1.01 -1.58 0.23 0.00 0.00 176.35 176.06 3fku s GLN 177 N 1.69 3.72 -0.06 1.70 0.74 -0.70 -0.79 119.66 125.96 3fku s GLN 177 Ca 0.02 0.97 -0.14 0.00 0.05 0.00 0.00 55.36 56.27 3fku s GLN 177 Cb -0.13 -2.10 0.03 0.00 1.10 0.00 0.00 33.01 31.91 3fku s GLN 177 CO -0.05 -0.47 0.32 -1.14 -0.55 0.00 0.00 175.29 173.40 3fku s GLN 178 N -4.30 0.56 0.12 1.67 0.74 -0.76 -1.76 119.66 115.93 3fku s GLN 178 Ca 0.59 0.06 0.10 0.00 0.05 0.00 0.00 55.36 56.16 3fku s GLN 178 Cb -0.11 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 3fku s GLN 178 CO 0.37 -0.13 -0.24 -1.01 -0.55 0.00 0.00 175.29 173.73 3fku s HIS 179 N -0.75 2.05 -0.21 1.67 3.76 -1.25 -1.72 115.29 118.85 3fku s HIS 179 Ca -0.08 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.14 3fku s HIS 179 Cb -0.04 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.48 3fku s HIS 179 CO 0.03 0.28 2.07 -1.14 -0.85 0.00 0.00 174.74 175.13 3fku s GLN 180 N -1.99 3.33 0.00 1.40 -0.44 -1.26 -1.68 119.66 119.01 3fku s GLN 180 Ca 0.10 1.97 0.00 0.00 -2.50 0.00 0.00 55.36 54.93 3fku s GLN 180 Cb -0.10 -4.29 0.00 0.00 -1.64 0.00 0.00 33.01 26.98 3fku s GLN 180 CO 0.05 -1.87 0.00 0.41 0.50 0.00 0.00 175.29 174.38 3fku n GLY 181 N 5.48 3.09 3.85 2.59 0.00 -1.26 -5.08 105.19 113.86 3fku n GLY 181 Ca 0.27 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.15 3.34 1.27 1.61 3.76 -0.68 -5.12 115.29 119.32 3fku s HIS 182 Ca 0.00 0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.85 3fku s HIS 182 Cb 0.00 -1.66 0.31 0.00 1.11 0.00 0.00 32.58 32.34 3fku s HIS 182 CO 0.00 0.55 1.04 -1.25 -0.85 0.00 0.00 174.74 174.22 3fku s PRO 183 N -2.63 -1.75 0.52 8.40 0.04 -1.26 -3.93 135.00 134.39 3fku s PRO 183 Ca 0.32 0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 3fku s PRO 183 Cb -0.12 -1.52 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 3fku s PRO 183 CO 0.25 -4.10 0.89 -1.25 0.04 0.00 0.00 177.00 172.83 3fku s PRO 184 N -5.18 3.64 0.01 0.56 0.05 -1.26 -4.44 135.00 128.39 3fku s PRO 184 Ca 0.70 0.51 -0.01 0.00 0.05 0.00 0.00 61.00 62.25 3fku s PRO 184 Cb -0.13 -2.25 -0.01 0.00 0.05 0.00 0.00 34.50 32.16 3fku s PRO 184 CO 0.58 -0.31 -0.00 -1.59 0.05 0.00 0.00 177.00 175.73 3fku s LYS 185 N -4.67 0.31 0.19 4.56 -2.85 -0.72 -4.69 119.74 111.87 3fku s LYS 185 Ca 0.52 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 3fku s LYS 185 Cb -0.10 0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.70 3fku s LYS 185 CO 0.44 -0.06 0.98 -1.17 0.10 0.00 0.00 175.35 175.65 3fku s LEU 186 N -1.32 4.57 -0.22 2.77 2.96 -1.26 -1.72 118.68 124.45 3fku s LEU 186 Ca -0.14 1.94 -0.10 0.00 -0.22 0.00 0.00 54.13 55.61 3fku s LEU 186 Cb -0.09 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 3fku s LEU 186 CO -0.01 0.01 -0.28 0.18 -1.32 0.00 0.00 176.35 174.94 3fku n LEU 187 N 2.01 1.76 -3.90 -0.68 4.77 -0.68 -4.83 117.00 115.46 3fku n LEU 187 Ca 0.00 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3fku n LEU 187 Cb 0.47 -0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 3fku n LEU 187 CO 0.51 0.52 -0.30 -0.94 -1.33 0.00 0.00 177.39 175.84 3fku s SER 188 N -6.89 0.05 1.12 -1.43 1.04 -1.24 -4.08 113.70 102.28 3fku s SER 188 Ca -0.31 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 3fku s SER 188 Cb 0.11 0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.49 3fku s SER 188 CO 0.41 -0.16 0.49 -1.22 0.98 0.00 0.00 173.24 173.74 3fku n TYR 189 N 2.37 -3.35 0.22 5.02 0.53 -1.04 -3.08 117.16 117.82 3fku n TYR 189 Ca -0.17 -0.44 0.08 0.00 -1.02 0.00 0.00 57.90 56.34 3fku n TYR 189 Cb 0.58 -0.52 0.47 0.00 -1.03 0.00 0.00 39.34 38.84 3fku n TYR 189 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3fku h ARG 190 N 0.00 0.00 -0.76 -0.72 2.43 -1.91 -2.46 114.38 110.96 3fku h ARG 190 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3fku h ARG 190 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3fku h ARG 190 CO 0.12 0.27 0.00 0.27 -1.51 0.00 0.00 179.97 179.12 3fku n ASN 191 N -3.59 3.31 -3.36 -3.80 6.94 -1.26 -4.58 115.26 108.92 3fku n ASN 191 Ca -0.01 -2.44 -0.21 0.00 -0.02 0.00 0.00 54.58 51.90 3fku n ASN 191 Cb 0.41 -0.57 -0.02 0.00 -2.36 0.00 0.00 39.78 37.23 3fku n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3fku n ASN 192 N 0.33 -2.75 -4.61 0.53 0.23 -0.93 -4.96 115.26 103.12 3fku n ASN 192 Ca 0.14 -0.33 -0.36 0.00 -0.53 0.00 0.00 54.58 53.49 3fku n ASN 192 Cb 0.70 -2.33 -0.10 0.00 -2.08 0.00 0.00 39.78 35.97 3fku n ASN 192 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3fku s ASP 193 N -2.63 5.83 0.47 0.53 1.01 -1.26 -4.53 116.67 116.09 3fku s ASP 193 Ca 0.38 0.03 -0.22 0.00 0.71 0.00 0.00 52.55 53.45 3fku s ASP 193 Cb -0.21 -2.05 -0.08 0.00 1.01 0.00 0.00 42.92 41.59 3fku s ASP 193 CO 0.46 0.05 1.07 0.00 0.21 0.00 0.00 175.17 176.97 3fku s ARG 194 N 1.13 3.84 0.97 8.23 1.70 -1.26 -2.51 118.95 131.04 3fku s ARG 194 Ca 0.06 1.50 -0.12 0.00 -0.47 0.00 0.00 55.73 56.70 3fku s ARG 194 Cb -0.14 -2.25 0.17 0.00 -0.57 0.00 0.00 34.95 32.16 3fku s ARG 194 CO 0.05 -0.42 1.09 -2.14 -1.08 0.00 0.00 175.30 172.79 3fku s PRO 195 N -2.96 0.66 0.26 3.89 0.02 -1.26 -4.96 135.00 130.67 3fku s PRO 195 Ca 0.65 0.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.41 3fku s PRO 195 Cb -0.21 -1.74 0.39 0.00 0.02 0.00 0.00 34.50 32.96 3fku s PRO 195 CO 0.25 -2.63 1.89 0.66 -0.33 0.00 0.00 177.00 176.84 3fku h SER 196 N -1.83 1.06 0.68 2.53 4.64 -1.97 -2.93 113.55 115.72 3fku h SER 196 Ca -0.52 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.72 3fku h SER 196 Cb 1.30 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3fku h SER 196 CO 0.54 0.69 -0.36 1.23 -0.87 0.00 0.00 176.83 178.06 3fku h GLY 197 N 1.21 0.00 -3.78 -0.77 0.00 -1.97 -3.45 103.07 94.31 3fku h GLY 197 Ca 0.42 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.25 3fku h GLY 197 CO -0.16 0.00 0.48 -0.42 0.00 0.00 0.00 176.54 176.44 3fku s ILE 198 N -3.78 3.47 0.75 2.60 -1.09 -1.11 -5.02 121.20 117.01 3fku s ILE 198 Ca -0.01 1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 59.77 3fku s ILE 198 Cb 0.12 -3.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3fku s ILE 198 CO 0.69 0.34 1.08 -0.94 -1.23 0.00 0.00 174.94 174.88 3fku s SER 199 N -0.89 4.89 0.41 3.58 1.04 -1.26 -4.94 113.70 116.53 3fku s SER 199 Ca 0.45 1.50 0.22 0.00 0.48 0.00 0.00 55.95 58.60 3fku s SER 199 Cb -0.32 -2.30 0.69 0.00 0.10 0.00 0.00 66.02 64.19 3fku s SER 199 CO 0.41 -1.74 1.73 1.05 0.98 0.00 0.00 173.24 175.67 3fku h GLU 200 N -0.93 0.00 0.00 4.02 9.09 -1.98 -3.10 114.58 121.69 3fku h GLU 200 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3fku h GLU 200 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3fku h GLU 200 CO 0.57 0.26 0.00 0.07 0.05 0.00 0.00 179.01 179.97 3fku h ARG 201 N 0.00 0.00 -4.54 1.06 0.11 -1.92 -3.33 114.38 105.76 3fku h ARG 201 Ca -0.00 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.34 3fku h ARG 201 Cb 0.90 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.78 3fku h ARG 201 CO 0.03 0.00 1.01 -0.06 0.10 0.00 0.00 179.97 181.05 3fku s PHE 202 N -3.88 3.58 -0.24 4.08 0.08 -1.17 -2.44 117.98 117.98 3fku s PHE 202 Ca -0.02 -2.07 -0.01 0.00 0.12 0.00 0.00 56.93 54.95 3fku s PHE 202 Cb 0.11 -4.19 0.03 0.00 -0.57 0.00 0.00 43.02 38.39 3fku s PHE 202 CO 0.45 -1.31 -0.09 -1.54 -0.10 0.00 0.00 175.22 172.63 3fku s SER 203 N 2.68 4.11 0.40 1.36 1.04 -0.95 -4.91 113.70 117.44 3fku s SER 203 Ca 0.37 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 3fku s SER 203 Cb -0.05 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.39 3fku s SER 203 CO -0.04 -0.11 0.74 0.00 0.98 0.00 0.00 173.24 174.81 3fku s ALA 204 N 1.30 3.40 0.00 5.32 0.00 -1.26 -2.74 121.76 127.77 3fku s ALA 204 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3fku s ALA 204 Cb -0.16 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3fku s ALA 204 CO -0.06 -0.03 0.00 -1.13 0.00 0.00 0.00 175.76 174.54 3fku n SER 205 N -1.40 0.00 -3.60 0.00 3.41 0.62 -4.82 113.62 107.82 3fku n SER 205 Ca 0.01 -0.72 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 3fku n SER 205 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 3fku n SER 205 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fku s ARG 206 N -1.17 1.06 -0.29 4.33 3.52 -1.26 -2.92 118.95 122.22 3fku s ARG 206 Ca 0.00 -0.55 0.20 0.00 -0.13 0.00 0.00 55.73 55.25 3fku s ARG 206 Cb 0.00 0.47 0.48 0.00 -1.56 0.00 0.00 34.95 34.35 3fku s ARG 206 CO 0.00 -0.41 1.11 0.43 -0.81 0.00 0.00 175.30 175.62 3fku n SER 207 N -0.03 1.10 0.00 -2.12 7.64 -0.73 -4.88 113.62 114.60 3fku n SER 207 Ca -0.17 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.45 3fku n SER 207 Cb 0.63 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3fku n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fku n GLY 208 N -0.53 0.94 0.87 0.23 0.00 -1.26 -4.12 105.19 101.33 3fku n GLY 208 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 2.77 2.95 -3.69 1.61 5.03 -1.26 -4.03 115.26 118.64 3fku n ASN 209 Ca 0.00 -1.86 -0.26 0.00 0.87 0.00 0.00 54.58 53.33 3fku n ASN 209 Cb 0.00 -0.16 -0.17 0.00 -1.02 0.00 0.00 39.78 38.43 3fku n ASN 209 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3fku s THR 210 N -1.31 0.24 -0.11 3.41 -1.32 -1.26 -2.61 115.64 112.68 3fku s THR 210 Ca 0.28 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 3fku s THR 210 Cb 0.17 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.36 3fku s THR 210 CO 0.24 -0.17 0.41 0.00 -2.21 0.00 0.00 174.62 172.90 3fku s ALA 211 N 1.99 3.54 -0.25 11.08 0.00 -0.26 -1.78 121.76 136.08 3fku s ALA 211 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 3fku s ALA 211 Cb -0.16 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.45 3fku s ALA 211 CO -0.08 0.09 -0.05 -1.12 0.00 0.00 0.00 175.76 174.61 3fku s SER 212 N 0.34 4.41 -0.07 0.00 0.01 -1.15 -1.52 113.70 115.73 3fku s SER 212 Ca 0.23 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.47 3fku s SER 212 Cb -0.15 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 3fku s SER 212 CO 0.09 -0.14 0.35 -0.22 0.41 0.00 0.00 173.24 173.73 3fku s LEU 213 N 1.33 4.38 -0.20 2.44 2.96 -0.08 -0.28 118.68 129.24 3fku s LEU 213 Ca 0.00 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3fku s LEU 213 Cb -0.17 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.09 3fku s LEU 213 CO -0.04 0.23 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.25 3fku s THR 214 N -0.43 1.51 -0.29 3.68 2.01 -1.11 -0.80 115.64 120.21 3fku s THR 214 Ca 0.21 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 3fku s THR 214 Cb -0.15 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 3fku s THR 214 CO 0.09 0.12 0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 3fku s ILE 215 N 1.45 4.44 0.06 1.82 1.01 0.08 -2.23 121.20 127.83 3fku s ILE 215 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3fku s ILE 215 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3fku s ILE 215 CO -0.08 0.17 0.25 0.42 0.00 0.00 0.00 174.94 175.71 3fku s THR 216 N 1.60 5.33 -0.92 2.92 -4.23 -1.02 0.06 115.64 119.39 3fku s THR 216 Ca 0.05 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3fku s THR 216 Cb -0.16 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 3fku s THR 216 CO 0.05 0.18 0.82 0.61 -0.54 0.00 0.00 174.62 175.74 3fku n GLY 217 N 0.47 -1.09 3.68 3.99 0.00 0.45 -4.85 105.19 107.83 3fku n GLY 217 Ca -0.06 0.52 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.78 3.25 -4.22 0.99 4.77 -0.88 -4.75 117.00 113.38 3fku n LEU 218 Ca -0.05 1.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 3fku n LEU 218 Cb 0.58 -1.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 3fku n LEU 218 CO 0.54 -0.71 -0.31 -1.10 -1.33 0.00 0.00 177.39 174.49 3fku s GLN 219 N -1.87 1.07 0.52 3.23 -1.52 -1.26 -0.95 119.66 118.88 3fku s GLN 219 Ca 0.57 -1.52 0.17 0.00 -1.95 0.00 0.00 55.36 52.62 3fku s GLN 219 Cb -0.58 -0.08 1.27 0.00 -0.22 0.00 0.00 33.01 33.40 3fku s GLN 219 CO 0.61 -0.19 2.13 -1.00 -0.25 0.00 0.00 175.29 176.59 3fku h PRO 220 N 2.72 0.02 -0.61 2.91 0.13 -1.97 -1.80 132.00 133.40 3fku h PRO 220 Ca -0.36 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3fku h PRO 220 Cb 1.21 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3fku h PRO 220 CO 0.61 0.01 0.41 0.93 -0.23 0.00 0.00 178.00 179.73 3fku h GLU 221 N 0.02 0.66 -0.67 0.86 3.07 -2.01 -3.25 114.58 113.25 3fku h GLU 221 Ca 0.03 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 3fku h GLU 221 Cb 0.11 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3fku h GLU 221 CO -0.00 0.44 0.18 -0.44 -1.40 0.00 0.00 179.01 177.78 3fku h ASP 222 N 0.68 1.01 -1.74 1.42 5.19 -1.74 -3.43 116.42 117.80 3fku h ASP 222 Ca 0.25 -0.23 -0.61 0.00 -0.62 0.00 0.00 57.03 55.82 3fku h ASP 222 Cb 0.15 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 3fku h ASP 222 CO -0.07 0.97 1.43 -1.84 -3.12 0.00 0.00 179.24 176.61 3fku n GLU 223 N -4.29 1.76 -3.87 3.56 0.28 -1.23 -4.82 120.64 112.03 3fku n GLU 223 Ca 0.05 0.51 -0.04 0.00 -0.16 0.00 0.00 57.16 57.51 3fku n GLU 223 Cb 0.24 -2.96 0.02 0.00 1.43 0.00 0.00 31.44 30.17 3fku n GLU 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fku s ALA 224 N 7.57 -1.44 0.54 -1.84 0.00 -1.23 -4.91 121.76 120.44 3fku s ALA 224 Ca 1.02 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 3fku s ALA 224 Cb -0.52 0.75 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 3fku s ALA 224 CO 0.41 -1.05 1.04 -0.51 0.00 0.00 0.00 175.76 175.64 3fku s ASP 225 N -3.35 6.14 -0.09 0.00 1.11 -0.70 -0.77 116.67 119.02 3fku s ASP 225 Ca 0.21 1.83 -0.03 0.00 0.18 0.00 0.00 52.55 54.74 3fku s ASP 225 Cb -0.03 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.46 3fku s ASP 225 CO 0.06 -0.92 0.09 -0.31 1.18 0.00 0.00 175.17 175.28 3fku s TYR 226 N -2.27 0.04 -0.09 4.23 1.51 -1.23 -1.84 117.35 117.70 3fku s TYR 226 Ca 0.64 0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 3fku s TYR 226 Cb -0.15 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3fku s TYR 226 CO 0.29 -0.31 -0.13 0.71 -1.11 0.00 0.00 175.55 175.00 3fku s TYR 227 N 2.19 2.78 0.44 2.71 2.02 0.03 -3.16 117.35 124.36 3fku s TYR 227 Ca 0.04 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3fku s TYR 227 Cb -0.13 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 3fku s TYR 227 CO -0.05 0.05 0.65 0.00 -1.57 0.00 0.00 175.55 174.62 3fku s SER 229 N -4.24 -0.61 0.03 0.00 1.04 -0.84 -2.21 113.70 106.86 3fku s SER 229 Ca 0.49 0.46 -0.27 0.00 0.48 0.00 0.00 55.95 57.11 3fku s SER 229 Cb -0.10 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.67 3fku s SER 229 CO 0.37 -0.72 0.79 -0.89 0.98 0.00 0.00 173.24 173.76 3fku s THR 230 N -2.04 0.00 -0.14 2.02 2.01 -0.85 -2.21 115.64 114.42 3fku s THR 230 Ca -0.07 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 3fku s THR 230 Cb -0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3fku s THR 230 CO 0.02 0.00 1.04 0.86 -0.69 0.00 0.00 174.62 175.86 3fku s TRP 231 N -2.91 3.41 -0.39 4.92 -0.11 -1.26 -0.50 118.94 122.09 3fku s TRP 231 Ca 0.01 1.50 -0.14 0.00 1.22 0.00 0.00 56.10 58.69 3fku s TRP 231 Cb -0.01 -3.25 0.01 0.00 -1.50 0.00 0.00 33.47 28.72 3fku s TRP 231 CO -0.07 -0.46 0.28 0.34 -4.62 0.00 0.00 176.95 172.42 3fku s ASP 232 N 1.20 6.10 0.00 5.86 -1.08 0.12 -4.34 116.67 124.53 3fku s ASP 232 Ca 0.48 -0.74 0.12 0.00 -0.52 0.00 0.00 52.55 51.89 3fku s ASP 232 Cb -0.18 -2.15 0.57 0.00 -1.46 0.00 0.00 42.92 39.69 3fku s ASP 232 CO 0.15 -0.38 1.39 -1.54 0.52 0.00 0.00 175.17 175.30 3fku n SER 233 N 5.15 0.65 -0.37 -0.34 3.41 -1.13 -1.22 113.62 119.77 3fku n SER 233 Ca -0.11 -1.75 0.07 0.00 -0.26 0.00 0.00 58.87 56.81 3fku n SER 233 Cb 0.48 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3fku n SER 233 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3fku n SER 234 N -0.26 1.63 0.00 4.04 3.41 -1.26 -4.44 113.62 116.74 3fku n SER 234 Ca 0.10 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 3fku n SER 234 Cb 0.14 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3fku n SER 234 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fku n LEU 235 N 0.08 0.64 -3.95 1.04 4.77 -1.11 -5.04 117.00 113.43 3fku n LEU 235 Ca 0.06 -0.64 -0.32 0.00 -0.03 0.00 0.00 56.01 55.09 3fku n LEU 235 Cb 0.29 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3fku n LEU 235 CO 0.14 0.16 0.02 -1.20 -1.33 0.00 0.00 177.39 175.18 3fku n SER 236 N -0.08 -3.99 -4.09 -1.43 7.64 -0.36 -4.59 113.62 106.73 3fku n SER 236 Ca 0.00 -0.81 -0.09 0.00 1.01 0.00 0.00 58.87 58.99 3fku n SER 236 Cb 0.21 -3.23 -0.10 0.00 -1.01 0.00 0.00 64.21 60.08 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 -3.22 0.57 -0.20 -0.43 0.00 -1.11 -4.76 121.76 112.62 3fku s ALA 237 Ca 0.66 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 3fku s ALA 237 Cb -0.35 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3fku s ALA 237 CO 0.81 -0.45 0.75 0.08 0.00 0.00 0.00 175.76 176.95 3fku s VAL 238 N -3.98 4.92 0.25 0.00 1.01 -1.26 0.16 120.40 121.50 3fku s VAL 238 Ca 0.15 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.60 3fku s VAL 238 Cb 0.07 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3fku s VAL 238 CO -0.04 0.03 0.40 0.68 0.00 0.00 0.00 175.10 176.17 3fku s VAL 239 N 2.24 5.22 0.43 2.92 -7.23 0.34 -4.41 120.40 119.92 3fku s VAL 239 Ca 0.34 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 3fku s VAL 239 Cb -0.16 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 32.92 3fku s VAL 239 CO 0.10 -0.34 0.08 -0.36 -0.31 0.00 0.00 175.10 174.28 3fku s PHE 240 N -2.02 1.85 0.53 2.82 0.40 -1.26 -2.02 117.98 118.28 3fku s PHE 240 Ca 0.36 -1.14 -0.06 0.00 -0.60 0.00 0.00 56.93 55.49 3fku s PHE 240 Cb -0.10 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 3fku s PHE 240 CO 0.31 -0.10 0.84 0.20 0.70 0.00 0.00 175.22 177.17 3fku s GLY 241 N -3.68 1.55 0.35 4.36 0.00 -0.94 -1.50 107.32 107.46 3fku s GLY 241 Ca 0.20 -0.54 0.10 0.00 0.00 0.00 0.00 44.72 44.48 3fku s GLY 241 CO 0.11 -0.33 1.81 -1.33 0.00 0.00 0.00 173.10 173.37 3fku h GLY 242 N 0.05 0.16 0.00 0.20 0.00 -1.87 -3.44 103.07 98.17 3fku h GLY 242 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3fku h GLY 242 CO 0.61 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.88 3fku n GLY 243 N -0.50 3.21 2.75 4.60 0.00 -1.26 -4.32 105.19 109.66 3fku n GLY 243 Ca -0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 3fku n GLY 243 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3fku n THR 244 N -1.73 0.00 -1.68 2.61 5.66 -1.19 -4.42 114.28 113.54 3fku n THR 244 Ca 0.00 -0.98 -0.46 0.00 -3.05 0.00 0.00 64.05 59.56 3fku n THR 244 Cb 0.00 1.03 -0.04 0.00 -1.55 0.00 0.00 70.33 69.77 3fku n THR 244 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3fku n LYS 245 N 2.69 2.31 -3.44 1.09 5.02 -1.23 -3.55 118.16 121.04 3fku n LYS 245 Ca 0.16 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.94 3fku n LYS 245 Cb 0.58 -2.65 -0.06 0.00 -0.02 0.00 0.00 35.03 32.89 3fku n LYS 245 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fku s LEU 246 N 1.83 4.31 -0.06 -0.35 2.96 0.05 -2.02 118.68 125.40 3fku s LEU 246 Ca 0.82 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 55.67 3fku s LEU 246 Cb -0.64 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 42.83 3fku s LEU 246 CO 0.40 0.09 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.61 3fku s THR 247 N -1.51 0.45 -0.13 3.68 2.01 -0.19 -3.51 115.64 116.45 3fku s THR 247 Ca 0.38 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.20 3fku s THR 247 Cb -0.14 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 3fku s THR 247 CO 0.19 0.24 0.50 -0.69 -0.69 0.00 0.00 174.62 174.17 3fku s VAL 248 N 1.43 5.17 -1.56 3.82 1.01 -1.26 -2.57 120.40 126.44 3fku s VAL 248 Ca -0.03 0.99 0.13 0.00 0.00 0.00 0.00 61.98 63.07 3fku s VAL 248 Cb -0.13 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.51 3fku s VAL 248 CO -0.03 0.30 0.90 -0.11 0.00 0.00 0.00 175.10 176.16