#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 3.76 -0.03 -0.39 1.01 -1.26 -4.83 120.40 118.66 3fku s VAL 2 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3fku s VAL 2 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.52 3fku s VAL 2 CO 0.00 -0.11 0.01 -1.10 0.00 0.00 0.00 175.10 173.90 3fku s GLN 3 N -2.96 0.16 -0.34 2.72 -0.21 -1.26 -4.98 119.66 112.80 3fku s GLN 3 Ca 0.28 0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.77 3fku s GLN 3 Cb -0.09 -0.40 0.07 0.00 1.00 0.00 0.00 33.01 33.59 3fku s GLN 3 CO 0.19 -0.16 0.07 -0.51 -2.12 0.00 0.00 175.29 172.76 3fku s LEU 4 N 1.10 4.37 -0.28 2.90 1.02 -1.26 0.07 118.68 126.59 3fku s LEU 4 Ca -0.09 -1.52 -0.10 0.00 0.02 0.00 0.00 54.13 52.44 3fku s LEU 4 Cb -0.13 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 3fku s LEU 4 CO -0.02 -0.35 0.16 -0.69 0.02 0.00 0.00 176.35 175.46 3fku s VAL 5 N 1.22 4.93 0.75 -1.59 1.01 -0.52 -3.78 120.40 122.42 3fku s VAL 5 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3fku s VAL 5 Cb -0.21 -3.39 0.12 0.00 0.00 0.00 0.00 36.38 32.91 3fku s VAL 5 CO -0.02 0.21 1.04 -1.10 0.00 0.00 0.00 175.10 175.23 3fku s GLN 6 N 1.69 1.63 0.07 2.72 -0.21 -1.26 -0.87 119.66 123.43 3fku s GLN 6 Ca 0.06 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 3fku s GLN 6 Cb -0.16 -2.23 0.02 0.00 1.00 0.00 0.00 33.01 31.64 3fku s GLN 6 CO 0.08 -1.54 0.08 0.43 -2.12 0.00 0.00 175.29 172.22 3fku n SER 7 N -2.99 -0.38 -4.71 5.90 7.64 -0.86 -4.93 113.62 113.29 3fku n SER 7 Ca 0.13 -0.86 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 3fku n SER 7 Cb 0.60 -0.07 0.17 0.00 -1.01 0.00 0.00 64.21 63.90 3fku n SER 7 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fku s GLY 8 N -2.99 1.57 -0.62 0.23 0.00 -1.26 -4.89 107.32 99.36 3fku s GLY 8 Ca 0.05 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.19 3fku s GLY 8 CO 0.03 0.18 0.57 0.00 0.00 0.00 0.00 173.10 173.88 3fku s ALA 9 N -3.07 3.76 0.18 3.20 0.00 -1.26 -4.79 121.76 119.78 3fku s ALA 9 Ca 0.65 -2.74 -0.27 0.00 0.00 0.00 0.00 51.96 49.60 3fku s ALA 9 Cb -0.17 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3fku s ALA 9 CO 0.56 -2.09 0.84 -1.21 0.00 0.00 0.00 175.76 173.87 3fku s GLU 10 N 1.23 4.68 -0.24 0.00 2.02 -1.23 -4.91 118.70 120.26 3fku s GLU 10 Ca 0.07 1.29 -0.05 0.00 0.02 0.00 0.00 54.97 56.30 3fku s GLU 10 Cb -0.25 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.70 3fku s GLU 10 CO -0.00 0.52 -0.00 0.08 0.02 0.00 0.00 175.26 175.88 3fku s VAL 11 N -1.05 3.59 0.17 2.63 1.01 -1.26 -2.53 120.40 122.96 3fku s VAL 11 Ca 0.38 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.93 3fku s VAL 11 Cb -0.24 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3fku s VAL 11 CO 0.28 0.32 -0.22 -0.54 0.00 0.00 0.00 175.10 174.94 3fku s LYS 12 N 1.49 1.38 0.18 2.72 -0.14 -0.27 -4.94 119.74 120.16 3fku s LYS 12 Ca 0.05 -1.43 -0.29 0.00 -1.36 0.00 0.00 55.97 52.93 3fku s LYS 12 Cb -0.15 -1.64 -0.08 0.00 -1.68 0.00 0.00 37.83 34.29 3fku s LYS 12 CO -0.01 0.35 0.92 0.15 -0.76 0.00 0.00 175.35 176.00 3fku s LYS 13 N -2.56 4.76 0.11 1.68 1.02 -1.26 -1.91 119.74 121.58 3fku s LYS 13 Ca 0.17 1.42 -0.34 0.00 0.02 0.00 0.00 55.97 57.24 3fku s LYS 13 Cb -0.08 -3.31 -0.18 0.00 -0.52 0.00 0.00 37.83 33.75 3fku s LYS 13 CO 0.08 0.42 0.97 -2.30 -0.92 0.00 0.00 175.35 173.60 3fku n PRO 14 N 1.97 0.44 0.00 -1.68 -0.02 -1.26 -2.00 135.00 132.44 3fku n PRO 14 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3fku n PRO 14 Cb 0.48 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 1.84 2.82 3.61 -1.23 0.00 0.20 -4.93 105.19 107.50 3fku n GLY 15 Ca 0.18 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 2.29 0.53 -4.86 1.61 3.41 -0.85 -2.11 113.62 113.64 3fku n SER 16 Ca 0.00 0.69 -0.33 0.00 -0.26 0.00 0.00 58.87 58.97 3fku n SER 16 Cb 0.00 -1.40 -0.06 0.00 -0.26 0.00 0.00 64.21 62.49 3fku n SER 16 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fku s SER 17 N -1.56 6.73 -0.06 4.04 1.04 -1.26 -3.05 113.70 119.57 3fku s SER 17 Ca 0.74 1.04 0.04 0.00 0.48 0.00 0.00 55.95 58.25 3fku s SER 17 Cb -0.36 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3fku s SER 17 CO 0.49 -0.03 -0.18 0.54 0.98 0.00 0.00 173.24 175.04 3fku s VAL 18 N -1.72 1.55 -0.56 5.02 0.11 -0.98 -4.98 120.40 118.83 3fku s VAL 18 Ca 0.45 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.74 3fku s VAL 18 Cb -0.12 -1.35 0.14 0.00 -1.53 0.00 0.00 36.38 33.52 3fku s VAL 18 CO 0.20 0.44 0.35 -0.75 -3.33 0.00 0.00 175.10 172.01 3fku s LYS 19 N 0.22 2.29 0.44 1.54 2.20 -1.26 -1.43 119.74 123.74 3fku s LYS 19 Ca -0.09 -2.49 -0.10 0.00 -0.36 0.00 0.00 55.97 52.92 3fku s LYS 19 Cb -0.14 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 3fku s LYS 19 CO 0.04 -1.14 0.81 0.54 -0.36 0.00 0.00 175.35 175.25 3fku s VAL 20 N -0.03 4.77 0.28 4.02 0.11 -0.91 -4.94 120.40 123.71 3fku s VAL 20 Ca 0.16 0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 59.83 3fku s VAL 20 Cb -0.22 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 3fku s VAL 20 CO -0.03 -0.64 0.32 -0.94 -3.33 0.00 0.00 175.10 170.49 3fku s SER 21 N -3.38 0.71 -0.08 3.54 1.04 -1.26 -0.52 113.70 113.74 3fku s SER 21 Ca 0.52 -1.44 -0.20 0.00 0.48 0.00 0.00 55.95 55.31 3fku s SER 21 Cb -0.10 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.60 3fku s SER 21 CO 0.35 -1.07 0.48 0.00 0.98 0.00 0.00 173.24 173.98 3fku s THR 23 N -0.75 2.55 0.07 0.00 2.01 -0.05 -1.07 115.64 118.39 3fku s THR 23 Ca -0.08 -0.92 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3fku s THR 23 Cb -0.03 -1.95 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 3fku s THR 23 CO 0.05 0.58 0.55 -0.55 -0.69 0.00 0.00 174.62 174.56 3fku s SER 24 N -0.63 7.03 -0.01 3.53 0.15 0.18 -1.43 113.70 122.52 3fku s SER 24 Ca 0.10 1.22 -0.21 0.00 0.70 0.00 0.00 55.95 57.76 3fku s SER 24 Cb -0.11 -2.35 -0.23 0.00 -1.71 0.00 0.00 66.02 61.63 3fku s SER 24 CO 0.00 0.27 1.10 0.77 1.20 0.00 0.00 173.24 176.58 3fku h SER 25 N 4.51 0.44 -4.23 5.45 4.64 -0.68 -3.46 113.55 120.22 3fku h SER 25 Ca -0.50 -0.74 -0.52 0.00 -0.47 0.00 0.00 61.79 59.56 3fku h SER 25 Cb 1.21 -0.14 0.15 0.00 -0.31 0.00 0.00 62.40 63.32 3fku h SER 25 CO 0.63 1.13 0.33 -1.83 -0.87 0.00 0.00 176.83 176.22 3fku s GLU 26 N -3.27 2.01 -0.09 4.77 -1.05 -1.26 -4.95 118.70 114.87 3fku s GLU 26 Ca -0.14 1.51 0.18 0.00 -0.15 0.00 0.00 54.97 56.37 3fku s GLU 26 Cb 0.03 -1.84 -0.24 0.00 -0.44 0.00 0.00 34.13 31.64 3fku s GLU 26 CO 0.80 -1.88 0.39 0.28 0.95 0.00 0.00 175.26 175.80 3fku n VAL 27 N -3.20 1.05 -1.22 1.83 0.31 -1.26 -4.36 118.33 111.47 3fku n VAL 27 Ca 0.12 -0.73 -0.23 0.00 -0.01 0.00 0.00 64.34 63.48 3fku n VAL 27 Cb 0.52 -0.47 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 3fku n VAL 27 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3fku n THR 28 N -2.70 3.57 0.05 2.52 -2.24 -1.26 -4.58 114.28 109.64 3fku n THR 28 Ca -0.20 -2.20 -0.10 0.00 -2.27 0.00 0.00 64.05 59.29 3fku n THR 28 Cb 0.94 -2.12 -0.13 0.00 -2.10 0.00 0.00 70.33 66.92 3fku n THR 28 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3fku h PHE 29 N 3.66 0.12 -0.16 4.78 3.57 -1.97 -3.30 116.94 123.63 3fku h PHE 29 Ca 0.44 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3fku h PHE 29 Cb 0.99 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 3fku h PHE 29 CO 1.76 1.09 0.03 0.77 -2.23 0.00 0.00 178.31 179.73 3fku h SER 30 N 0.02 0.20 -0.08 0.41 0.02 -1.88 -3.20 113.55 109.04 3fku h SER 30 Ca -0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3fku h SER 30 Cb 1.88 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3fku h SER 30 CO 0.13 0.22 0.00 -1.54 -1.14 0.00 0.00 176.83 174.50 3fku n SER 31 N -4.43 0.84 -3.80 3.07 3.41 -1.24 -1.78 113.62 109.68 3fku n SER 31 Ca -0.01 -1.54 -0.26 0.00 -0.26 0.00 0.00 58.87 56.80 3fku n SER 31 Cb 0.14 -0.05 -0.17 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.90 1.14 -0.10 7.33 0.08 -1.21 -3.67 117.98 119.65 3fku s PHE 32 Ca 0.31 -0.70 -0.29 0.00 0.12 0.00 0.00 56.93 56.36 3fku s PHE 32 Cb 0.16 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3fku s PHE 32 CO 0.25 -0.52 1.80 0.00 -0.10 0.00 0.00 175.22 176.64 3fku s ALA 33 N 1.82 3.39 0.08 5.36 0.00 0.10 -4.59 121.76 127.93 3fku s ALA 33 Ca 0.02 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 3fku s ALA 33 Cb -0.15 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 3fku s ALA 33 CO -0.07 -1.78 0.77 0.42 0.00 0.00 0.00 175.76 175.10 3fku s ILE 34 N 5.04 4.61 0.16 0.00 1.09 -1.00 -0.87 121.20 130.24 3fku s ILE 34 Ca 0.80 1.65 0.08 0.00 -1.10 0.00 0.00 60.65 62.08 3fku s ILE 34 Cb -0.33 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 3fku s ILE 34 CO 0.33 0.42 -0.17 -0.44 -0.10 0.00 0.00 174.94 174.98 3fku s SER 35 N -0.41 2.55 -0.04 3.58 0.01 0.14 -0.94 113.70 118.59 3fku s SER 35 Ca 0.38 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.78 3fku s SER 35 Cb -0.21 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 3fku s SER 35 CO 0.24 -0.07 -0.08 0.26 0.41 0.00 0.00 173.24 174.00 3fku s TRP 36 N -2.19 2.88 -0.01 2.43 0.52 -0.63 0.11 118.94 122.06 3fku s TRP 36 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.25 3fku s TRP 36 Cb -0.05 -1.66 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 3fku s TRP 36 CO 0.06 0.33 -0.01 0.08 0.02 0.00 0.00 176.95 177.43 3fku s VAL 37 N -0.88 0.11 0.26 4.03 1.01 -0.38 -2.39 120.40 122.15 3fku s VAL 37 Ca 0.14 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.23 3fku s VAL 37 Cb -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3fku s VAL 37 CO 0.04 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.09 3fku s ARG 38 N 0.30 1.97 -0.11 2.72 1.70 -0.20 -1.52 118.95 123.81 3fku s ARG 38 Ca -0.03 -1.55 -0.03 0.00 -0.47 0.00 0.00 55.73 53.65 3fku s ARG 38 Cb -0.05 -1.99 0.04 0.00 -0.57 0.00 0.00 34.95 32.39 3fku s ARG 38 CO -0.01 0.36 0.06 -1.14 -1.08 0.00 0.00 175.30 173.50 3fku s GLN 39 N -3.44 0.11 0.19 3.89 0.74 -0.48 -1.67 119.66 119.00 3fku s GLN 39 Ca 0.29 0.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.50 3fku s GLN 39 Cb -0.06 -1.25 -0.08 0.00 1.10 0.00 0.00 33.01 32.72 3fku s GLN 39 CO 0.17 -0.50 1.08 0.00 -0.55 0.00 0.00 175.29 175.49 3fku s ALA 40 N 2.11 3.37 -0.15 1.58 0.00 -1.26 -2.11 121.76 125.30 3fku s ALA 40 Ca 0.03 0.80 -0.38 0.00 0.00 0.00 0.00 51.96 52.41 3fku s ALA 40 Cb -0.14 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 3fku s ALA 40 CO -0.06 -0.16 1.68 -2.30 0.00 0.00 0.00 175.76 174.91 3fku n PRO 41 N 2.17 1.39 0.00 0.00 -0.02 -1.26 -1.45 135.00 135.82 3fku n PRO 41 Ca 0.02 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3fku n PRO 41 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 3.85 1.92 0.00 -1.23 0.00 -1.26 -5.05 105.19 103.42 3fku n GLY 42 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.44 -0.24 1.61 3.00 -0.53 -5.09 117.38 116.57 3fku n GLN 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3fku n GLN 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 5.00 -0.19 3.92 1.08 0.00 -1.26 -4.52 105.19 109.21 3fku n GLY 44 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 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 4.01 -0.21 0.99 1.43 -1.26 -4.17 118.68 119.47 3fku s LEU 45 Ca 0.00 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 3fku s LEU 45 Cb 0.00 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.79 3fku s LEU 45 CO 0.00 -0.26 0.50 -0.70 0.23 0.00 0.00 176.35 176.13 3fku s GLU 46 N -3.86 0.49 -0.26 1.70 2.12 -0.67 -4.78 118.70 113.44 3fku s GLU 46 Ca 0.43 0.95 -0.22 0.00 0.36 0.00 0.00 54.97 56.50 3fku s GLU 46 Cb -0.10 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.34 3fku s GLU 46 CO 0.33 -0.16 0.69 -0.46 -0.54 0.00 0.00 175.26 175.11 3fku s TRP 47 N 1.57 3.27 -0.02 5.30 -0.00 -1.26 -1.03 118.94 126.77 3fku s TRP 47 Ca -0.09 0.86 -0.00 0.00 -0.00 0.00 0.00 56.10 56.87 3fku s TRP 47 Cb -0.08 -2.94 -0.00 0.00 -0.00 0.00 0.00 33.47 30.46 3fku s TRP 47 CO -0.15 -0.38 0.05 -0.07 -0.00 0.00 0.00 176.95 176.40 3fku h LEU 48 N 9.05 -0.01 -7.00 5.86 3.38 -1.85 -3.42 115.31 121.32 3fku h LEU 48 Ca -0.26 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3fku h LEU 48 Cb 1.11 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 3fku h LEU 48 CO 0.81 0.09 0.43 -0.83 0.09 0.00 0.00 178.44 179.03 3fku s GLY 49 N -2.28 -0.46 0.12 0.83 0.00 -1.25 -1.90 107.32 102.38 3fku s GLY 49 Ca -0.00 1.20 0.08 0.00 0.00 0.00 0.00 44.72 46.00 3fku s GLY 49 CO 0.01 0.54 -0.19 -0.32 0.00 0.00 0.00 173.10 173.14 3fku s GLY 50 N -2.06 1.23 0.07 0.20 0.00 -0.15 -1.60 107.32 105.01 3fku s GLY 50 Ca 0.01 -1.30 0.06 0.00 0.00 0.00 0.00 44.72 43.50 3fku s GLY 50 CO -0.05 -1.32 -0.17 -1.50 0.00 0.00 0.00 173.10 170.06 3fku s ILE 51 N -1.51 1.35 -0.45 0.90 1.10 -0.12 -0.15 121.20 122.32 3fku s ILE 51 Ca 0.08 -1.32 -0.17 0.00 -0.51 0.00 0.00 60.65 58.73 3fku s ILE 51 Cb -0.08 -1.25 0.04 0.00 0.15 0.00 0.00 42.46 41.32 3fku s ILE 51 CO 0.05 -0.10 0.45 -0.55 -2.11 0.00 0.00 174.94 172.68 3fku s SER 52 N -1.65 6.18 0.24 4.50 0.15 -0.86 -2.37 113.70 119.90 3fku s SER 52 Ca 0.02 -0.90 0.21 0.00 0.70 0.00 0.00 55.95 55.98 3fku s SER 52 Cb -0.10 -2.22 0.96 0.00 -1.71 0.00 0.00 66.02 62.96 3fku s SER 52 CO 0.03 -0.65 1.64 -2.65 1.20 0.00 0.00 173.24 172.81 3fku n PRO 53 N 5.58 0.15 0.01 5.44 -0.02 -1.25 -0.38 135.00 144.53 3fku n PRO 53 Ca -0.09 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3fku n PRO 53 Cb 0.46 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3fku n PRO 53 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3fku h MET 54 N 0.00 -0.07 0.00 -0.52 4.05 -1.63 -3.41 114.93 113.36 3fku h MET 54 Ca 0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.16 3fku h MET 54 Cb 0.23 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 3fku h MET 54 CO 0.00 0.40 -2.02 1.19 0.23 0.00 0.00 176.91 176.72 3fku n PHE 55 N -4.89 0.00 0.00 1.39 3.72 -1.08 -5.03 117.46 111.57 3fku n PHE 55 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3fku n PHE 55 Cb 0.26 -0.71 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 2.36 0.95 3.64 1.37 0.00 0.49 -5.07 105.19 108.93 3fku n GLY 56 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 4.34 0.86 2.61 2.01 -1.26 -4.84 115.64 117.37 3fku s THR 57 Ca 0.00 1.55 -0.08 0.00 0.31 0.00 0.00 61.69 63.46 3fku s THR 57 Cb 0.00 -4.27 0.18 0.00 0.01 0.00 0.00 72.50 68.42 3fku s THR 57 CO 0.00 -0.44 1.18 -2.16 -0.69 0.00 0.00 174.62 172.51 3fku s PRO 58 N 3.83 1.00 -0.28 4.92 0.05 -1.26 -2.03 135.00 141.24 3fku s PRO 58 Ca 0.51 -0.87 -0.20 0.00 0.05 0.00 0.00 61.00 60.49 3fku s PRO 58 Cb -0.15 -2.08 0.10 0.00 0.05 0.00 0.00 34.50 32.42 3fku s PRO 58 CO 0.18 -2.04 0.82 0.54 0.05 0.00 0.00 177.00 176.55 3fku s ASN 59 N -4.87 -0.72 0.26 6.66 2.20 0.79 -4.93 114.94 114.33 3fku s ASN 59 Ca 0.72 1.24 0.10 0.00 -0.94 0.00 0.00 52.86 53.98 3fku s ASN 59 Cb -0.03 1.28 -0.05 0.00 -2.00 0.00 0.00 41.25 40.45 3fku s ASN 59 CO 0.49 -0.20 -0.18 -0.31 -2.94 0.00 0.00 177.10 173.96 3fku s TYR 60 N 1.02 2.09 0.58 1.54 1.51 -1.26 -0.98 117.35 121.85 3fku s TYR 60 Ca -0.05 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 3fku s TYR 60 Cb -0.05 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 3fku s TYR 60 CO -0.11 0.59 1.06 0.00 -1.11 0.00 0.00 175.55 175.97 3fku s ALA 61 N -2.68 2.76 0.62 3.71 0.00 -0.80 -4.88 121.76 120.49 3fku s ALA 61 Ca 0.28 0.44 0.35 0.00 0.00 0.00 0.00 51.96 53.02 3fku s ALA 61 Cb -0.03 -3.24 2.03 0.00 0.00 0.00 0.00 23.12 21.88 3fku s ALA 61 CO 0.12 -0.74 2.29 1.96 0.00 0.00 0.00 175.76 179.40 3fku h GLN 62 N 0.62 0.00 -0.66 0.00 4.20 -1.92 -1.58 115.11 115.76 3fku h GLN 62 Ca -0.47 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3fku h GLN 62 Cb 1.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 3fku h GLN 62 CO 0.58 0.00 0.29 -0.22 -0.67 0.00 0.00 178.83 178.81 3fku h LYS 63 N 0.00 0.96 -0.35 1.46 3.64 -1.96 -2.88 116.57 117.44 3fku h LYS 63 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3fku h LYS 63 Cb 0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3fku h LYS 63 CO -0.00 0.76 0.00 1.19 -2.27 0.00 0.00 179.45 179.13 3fku n PHE 64 N -4.33 0.81 -0.34 1.91 3.72 -0.74 -4.83 117.46 113.66 3fku n PHE 64 Ca 0.06 -0.67 0.01 0.00 -0.05 0.00 0.00 57.45 56.80 3fku n PHE 64 Cb 0.15 -0.18 0.07 0.00 -0.94 0.00 0.00 39.48 38.58 3fku n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3fku n GLN 65 N 0.16 -0.16 -0.01 -1.08 -0.06 -0.67 -1.81 117.38 113.75 3fku n GLN 65 Ca 0.18 1.38 0.00 0.00 -2.00 0.00 0.00 57.00 56.56 3fku n GLN 65 Cb 0.69 -2.05 0.01 0.00 -4.06 0.00 0.00 30.24 24.83 3fku n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fku n GLY 66 N -1.47 1.29 0.08 1.69 0.00 -1.26 -4.59 105.19 100.93 3fku n GLY 66 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.23 0.65 -4.73 1.61 0.63 -0.75 -4.95 116.66 108.88 3fku n ARG 67 Ca 0.01 0.11 -0.33 0.00 -0.92 0.00 0.00 57.85 56.72 3fku n ARG 67 Cb 0.17 -1.67 -0.12 0.00 0.45 0.00 0.00 32.46 31.29 3fku n ARG 67 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3fku s VAL 68 N -2.76 3.44 -0.24 5.15 -7.23 -1.12 -2.08 120.40 115.57 3fku s VAL 68 Ca -0.06 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3fku s VAL 68 Cb 0.08 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.71 3fku s VAL 68 CO 0.83 0.59 0.01 -0.89 -0.31 0.00 0.00 175.10 175.34 3fku s THR 69 N -0.76 1.06 -0.16 5.32 2.01 -0.53 -4.94 115.64 117.64 3fku s THR 69 Ca 0.12 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3fku s THR 69 Cb -0.11 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3fku s THR 69 CO 0.01 -0.27 -0.20 0.27 -0.69 0.00 0.00 174.62 173.74 3fku s ILE 70 N 1.59 1.98 0.10 1.82 -5.25 -1.26 -1.96 121.20 118.23 3fku s ILE 70 Ca -0.00 -0.91 -0.00 0.00 -0.99 0.00 0.00 60.65 58.74 3fku s ILE 70 Cb -0.18 -1.78 -0.04 0.00 2.95 0.00 0.00 42.46 43.41 3fku s ILE 70 CO -0.10 0.53 0.01 0.42 -1.79 0.00 0.00 174.94 174.00 3fku s THR 71 N 1.15 0.27 0.29 8.37 -4.23 -0.69 -4.79 115.64 116.01 3fku s THR 71 Ca 0.01 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3fku s THR 71 Cb -0.14 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3fku s THR 71 CO -0.09 -0.69 0.16 0.00 -0.54 0.00 0.00 174.62 173.46 3fku s ALA 72 N -3.92 3.52 -0.09 3.99 0.00 -1.26 0.06 121.76 124.06 3fku s ALA 72 Ca 0.17 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.55 3fku s ALA 72 Cb 0.07 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3fku s ALA 72 CO -0.03 0.16 -0.19 0.34 0.00 0.00 0.00 175.76 176.04 3fku s ASP 73 N -3.83 2.54 -0.02 0.00 3.68 -0.11 -4.94 116.67 113.99 3fku s ASP 73 Ca 0.35 -0.45 -0.21 0.00 2.13 0.00 0.00 52.55 54.37 3fku s ASP 73 Cb -0.06 -1.16 -0.12 0.00 -1.45 0.00 0.00 42.92 40.12 3fku s ASP 73 CO 0.24 0.10 0.89 1.56 0.13 0.00 0.00 175.17 178.09 3fku h GLN 74 N 6.86 -0.58 0.49 4.34 1.08 -1.89 -3.25 115.11 122.16 3fku h GLN 74 Ca -0.25 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 3fku h GLN 74 Cb 1.22 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 3fku h GLN 74 CO 0.47 -0.31 -0.24 0.66 -0.95 0.00 0.00 178.83 178.47 3fku h SER 75 N -1.08 -0.56 -3.34 1.46 4.64 -1.97 -3.35 113.55 109.36 3fku h SER 75 Ca -0.06 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.63 3fku h SER 75 Cb 0.54 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.69 3fku h SER 75 CO 0.10 -0.30 0.69 0.42 -0.87 0.00 0.00 176.83 176.87 3fku s THR 76 N -5.49 4.61 -0.56 2.95 -4.23 -1.26 -4.92 115.64 106.75 3fku s THR 76 Ca -0.16 1.56 -0.18 0.00 -1.18 0.00 0.00 61.69 61.73 3fku s THR 76 Cb 0.03 -4.32 -0.17 0.00 1.34 0.00 0.00 72.50 69.38 3fku s THR 76 CO 0.58 -0.39 1.80 -2.11 -0.54 0.00 0.00 174.62 173.96 3fku n ARG 77 N 6.61 1.15 -4.00 3.99 1.85 -1.26 -4.53 116.66 120.48 3fku n ARG 77 Ca 0.09 -1.45 -0.10 0.00 -1.00 0.00 0.00 57.85 55.40 3fku n ARG 77 Cb 0.47 -2.64 -0.11 0.00 -1.05 0.00 0.00 32.46 29.13 3fku n ARG 77 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3fku s THR 78 N 5.10 0.19 -0.03 8.89 2.01 -1.23 0.48 115.64 131.06 3fku s THR 78 Ca 0.50 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3fku s THR 78 Cb 0.12 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.31 3fku s THR 78 CO 0.12 -0.48 -0.05 0.00 -0.69 0.00 0.00 174.62 173.52 3fku s ALA 79 N -1.45 0.63 -0.03 7.40 0.00 -0.23 -0.94 121.76 127.14 3fku s ALA 79 Ca -0.15 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3fku s ALA 79 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3fku s ALA 79 CO -0.01 0.04 -0.09 0.71 0.00 0.00 0.00 175.76 176.41 3fku s TYR 80 N 0.56 2.84 -0.17 0.00 1.51 0.11 -1.27 117.35 120.93 3fku s TYR 80 Ca -0.07 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 3fku s TYR 80 Cb -0.11 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 3fku s TYR 80 CO 0.00 0.31 -0.18 1.41 -1.11 0.00 0.00 175.55 175.98 3fku s MET 81 N -1.10 2.77 -0.20 -0.62 1.75 0.32 -1.70 119.30 120.53 3fku s MET 81 Ca 0.14 -0.77 -0.09 0.00 -1.25 0.00 0.00 55.69 53.72 3fku s MET 81 Cb -0.11 -2.46 -0.04 0.00 2.84 0.00 0.00 34.83 35.06 3fku s MET 81 CO 0.04 -0.23 0.10 0.34 -0.65 0.00 0.00 175.02 174.62 3fku s ASP 82 N 1.34 5.87 -0.39 1.11 3.68 -0.83 -2.13 116.67 125.32 3fku s ASP 82 Ca 0.04 0.12 0.03 0.00 2.13 0.00 0.00 52.55 54.87 3fku s ASP 82 Cb -0.13 -2.02 0.11 0.00 -1.45 0.00 0.00 42.92 39.43 3fku s ASP 82 CO -0.12 0.15 0.14 -0.22 0.13 0.00 0.00 175.17 175.25 3fku s LEU 83 N 0.52 3.75 0.82 -1.34 0.20 -0.51 -1.46 118.68 120.66 3fku s LEU 83 Ca 0.05 -2.32 -0.09 0.00 0.69 0.00 0.00 54.13 52.46 3fku s LEU 83 Cb -0.12 -1.36 0.14 0.00 -0.43 0.00 0.00 46.19 44.42 3fku s LEU 83 CO 0.00 -0.33 1.15 -0.13 -0.29 0.00 0.00 176.35 176.75 3fku s ARG 84 N 0.69 1.39 -1.38 1.98 0.52 -0.88 -2.33 118.95 118.94 3fku s ARG 84 Ca 0.13 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3fku s ARG 84 Cb -0.21 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.21 3fku s ARG 84 CO -0.08 -1.81 0.65 0.45 0.02 0.00 0.00 175.30 174.52 3fku n SER 85 N -3.28 -1.38 -4.65 0.23 2.88 -1.09 -4.84 113.62 101.49 3fku n SER 85 Ca 0.13 -0.88 -0.29 0.00 -1.33 0.00 0.00 58.87 56.50 3fku n SER 85 Cb 0.60 -3.69 0.18 0.00 -0.75 0.00 0.00 64.21 60.55 3fku n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3fku s LEU 86 N -6.85 1.66 0.00 2.46 1.43 -0.90 -4.71 118.68 111.77 3fku s LEU 86 Ca 0.10 1.37 -0.24 0.00 -1.03 0.00 0.00 54.13 54.33 3fku s LEU 86 Cb -0.05 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.68 3fku s LEU 86 CO 0.84 -3.22 1.12 -2.11 0.23 0.00 0.00 176.35 173.21 3fku n ARG 87 N -4.25 0.28 -0.05 1.70 1.85 -1.26 0.61 116.66 115.54 3fku n ARG 87 Ca 0.05 -0.89 -0.10 0.00 -1.00 0.00 0.00 57.85 55.92 3fku n ARG 87 Cb 0.56 1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 33.29 3fku n ARG 87 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3fku h SER 88 N 1.83 -1.10 0.11 2.89 0.87 -1.96 -2.87 113.55 113.32 3fku h SER 88 Ca -0.21 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 3fku h SER 88 Cb 1.09 0.48 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 3fku h SER 88 CO 0.30 -0.35 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.08 3fku h GLU 89 N -0.35 0.00 0.00 2.24 4.81 -1.97 -1.88 114.58 117.42 3fku h GLU 89 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3fku h GLU 89 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3fku h GLU 89 CO -0.44 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 177.68 3fku n ASP 90 N -4.24 0.00 -4.56 1.04 8.00 -1.08 -4.71 116.55 110.99 3fku n ASP 90 Ca -0.03 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 3fku n ASP 90 Cb 0.17 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 3fku n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fku n THR 91 N -1.26 0.20 -3.61 -3.53 -1.04 -0.71 -4.87 114.28 99.46 3fku n THR 91 Ca 0.06 -0.51 -0.04 0.00 -2.04 0.00 0.00 64.05 61.53 3fku n THR 91 Cb 0.09 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.15 3fku n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fku s ALA 92 N 9.19 -1.98 0.11 2.41 0.00 -1.05 -4.39 121.76 126.05 3fku s ALA 92 Ca 1.03 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.77 3fku s ALA 92 Cb -0.40 0.26 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 3fku s ALA 92 CO 0.35 -0.81 0.62 0.14 0.00 0.00 0.00 175.76 176.07 3fku s VAL 93 N -2.74 4.67 -0.36 0.00 -7.23 -0.90 -1.98 120.40 111.87 3fku s VAL 93 Ca 0.10 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.57 3fku s VAL 93 Cb 0.00 -3.92 0.10 0.00 0.56 0.00 0.00 36.38 33.12 3fku s VAL 93 CO -0.04 0.49 0.08 -0.31 -0.31 0.00 0.00 175.10 175.01 3fku s TYR 94 N -1.19 3.73 -0.01 2.82 1.51 0.34 -1.39 117.35 123.17 3fku s TYR 94 Ca 0.32 -2.93 -0.22 0.00 -1.01 0.00 0.00 57.07 53.24 3fku s TYR 94 Cb -0.19 -2.97 -0.05 0.00 -0.11 0.00 0.00 41.96 38.63 3fku s TYR 94 CO 0.20 -0.95 0.64 0.71 -1.11 0.00 0.00 175.55 175.04 3fku s TYR 95 N 0.90 3.67 0.22 2.71 2.02 -0.57 -2.23 117.35 124.06 3fku s TYR 95 Ca 0.11 1.24 -0.12 0.00 -0.37 0.00 0.00 57.07 57.93 3fku s TYR 95 Cb -0.20 -2.67 -0.07 0.00 -0.40 0.00 0.00 41.96 38.62 3fku s TYR 95 CO -0.07 0.29 0.57 0.00 -1.57 0.00 0.00 175.55 174.77 3fku s ALA 97 N -1.73 -0.73 0.32 0.00 0.00 0.30 -0.78 121.76 119.14 3fku s ALA 97 Ca 0.45 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.27 3fku s ALA 97 Cb -0.12 -1.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.88 3fku s ALA 97 CO 0.20 -0.57 0.95 0.50 0.00 0.00 0.00 175.76 176.84 3fku s ARG 98 N 2.21 4.57 0.07 0.00 3.52 -0.45 0.24 118.95 129.12 3fku s ARG 98 Ca -0.02 1.36 0.07 0.00 -0.13 0.00 0.00 55.73 57.01 3fku s ARG 98 Cb -0.11 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3fku s ARG 98 CO -0.10 0.26 -0.16 0.45 -0.81 0.00 0.00 175.30 174.95 3fku s SER 99 N -1.58 4.00 0.00 -2.12 0.15 -0.05 -3.08 113.70 111.02 3fku s SER 99 Ca 0.50 -0.44 0.19 0.00 0.70 0.00 0.00 55.95 56.90 3fku s SER 99 Cb -0.19 -0.66 0.85 0.00 -1.71 0.00 0.00 66.02 64.30 3fku s SER 99 CO 0.25 0.22 1.61 -0.81 1.20 0.00 0.00 173.24 175.71 3fku n PRO 100 N 1.15 0.06 -3.19 5.44 -0.04 -1.26 -3.39 135.00 133.77 3fku n PRO 100 Ca -0.15 0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3fku n PRO 100 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.91 6.64 0.15 3.54 0.15 -1.26 -4.93 113.70 115.08 3fku s SER 101 Ca 0.11 1.07 0.26 0.00 0.70 0.00 0.00 55.95 58.09 3fku s SER 101 Cb 0.13 -2.29 0.65 0.00 -1.71 0.00 0.00 66.02 62.80 3fku s SER 101 CO 0.34 -0.20 1.60 0.00 1.20 0.00 0.00 173.24 176.17 3fku n TYR 102 N -0.55 0.67 -4.08 3.44 4.11 -1.24 -0.72 117.16 118.79 3fku n TYR 102 Ca 0.02 0.19 -0.09 0.00 -0.00 0.00 0.00 57.90 58.02 3fku n TYR 102 Cb 0.53 -0.76 -0.10 0.00 -0.00 0.00 0.00 39.34 39.00 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 -3.11 0.35 -0.84 -3.48 1.10 -1.26 -3.45 121.20 110.51 3fku s ILE 103 Ca 0.09 -1.56 -0.05 0.00 -0.51 0.00 0.00 60.65 58.62 3fku s ILE 103 Cb 0.14 -1.18 0.21 0.00 0.15 0.00 0.00 42.46 41.77 3fku s ILE 103 CO 0.64 -0.79 0.73 0.00 -2.11 0.00 0.00 174.94 173.42 3fku n SER 105 N 2.98 0.30 0.00 0.00 7.64 -1.26 -4.87 113.62 118.41 3fku n SER 105 Ca 0.17 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.98 3fku n SER 105 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3fku n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fku n GLY 106 N -0.03 2.28 0.27 0.23 0.00 -1.26 -5.05 105.19 101.63 3fku n GLY 106 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 0.40 2.00 -0.02 0.00 -1.90 -2.69 103.07 100.86 3fku h GLY 107 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3fku h GLY 107 CO 0.00 0.19 0.00 2.41 0.00 0.00 0.00 176.54 179.14 3fku n THR 108 N -4.37 1.07 -1.06 4.70 -1.04 -1.26 -4.20 114.28 108.12 3fku n THR 108 Ca 0.01 0.30 -0.31 0.00 -2.04 0.00 0.00 64.05 62.00 3fku n THR 108 Cb 0.17 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 3fku n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fku s VAL 110 N 2.69 3.59 -0.59 0.00 -7.23 -1.26 -4.93 120.40 112.68 3fku s VAL 110 Ca 0.57 -0.34 -0.01 0.00 -1.81 0.00 0.00 61.98 60.39 3fku s VAL 110 Cb 0.15 -3.37 0.15 0.00 0.56 0.00 0.00 36.38 33.86 3fku s VAL 110 CO -0.05 -0.31 0.38 -0.36 -0.31 0.00 0.00 175.10 174.45 3fku s PHE 111 N -2.77 3.38 -0.19 2.82 0.08 -1.26 -4.15 117.98 115.89 3fku s PHE 111 Ca 0.52 -2.81 0.16 0.00 0.12 0.00 0.00 56.93 54.92 3fku s PHE 111 Cb -0.10 -3.11 0.09 0.00 -0.57 0.00 0.00 43.02 39.32 3fku s PHE 111 CO 0.41 -0.83 1.44 0.38 -0.10 0.00 0.00 175.22 176.52 3fku h ASP 112 N 6.98 0.00 -4.46 1.36 -0.00 -1.93 -3.39 116.42 114.99 3fku h ASP 112 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.69 3fku h ASP 112 Cb 0.95 0.00 -0.24 0.00 -0.00 0.00 0.00 39.33 40.04 3fku h ASP 112 CO 0.70 0.44 -0.75 -1.00 -0.00 0.00 0.00 179.24 178.64 3fku s HIS 113 N -2.99 0.66 0.04 4.15 3.76 -1.22 -4.41 115.29 115.28 3fku s HIS 113 Ca 0.04 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 3fku s HIS 113 Cb 0.07 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.34 3fku s HIS 113 CO 0.74 -0.05 0.03 -1.58 -0.85 0.00 0.00 174.74 173.03 3fku s TRP 114 N -0.94 0.29 0.63 1.40 0.52 -1.26 -1.35 118.94 118.23 3fku s TRP 114 Ca -0.05 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.33 3fku s TRP 114 Cb -0.07 -0.21 0.14 0.00 -1.15 0.00 0.00 33.47 32.18 3fku s TRP 114 CO 0.00 -0.32 0.86 0.41 0.02 0.00 0.00 176.95 177.93 3fku n GLY 115 N 0.84 -1.18 0.26 0.98 0.00 0.04 -4.60 105.19 101.53 3fku n GLY 115 Ca -0.19 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.24 3fku n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fku n GLN 116 N -2.81 0.99 0.00 1.61 0.00 -1.25 -4.69 117.38 111.23 3fku n GLN 116 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 57.00 56.59 3fku n GLN 116 Cb 0.38 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.14 3fku n GLN 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 117 N 1.28 0.65 2.78 2.61 0.00 -1.26 -4.79 105.19 106.46 3fku n GLY 117 Ca 0.15 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.57 0.55 -0.56 2.61 2.01 -0.95 -4.87 115.64 111.87 3fku s THR 118 Ca 0.00 -0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 3fku s THR 118 Cb 0.00 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.74 3fku s THR 118 CO 0.00 0.10 0.95 -0.22 -0.69 0.00 0.00 174.62 174.76 3fku s LEU 119 N 1.88 4.10 -0.38 4.42 0.20 -1.26 -0.50 118.68 127.14 3fku s LEU 119 Ca 0.03 -0.40 -0.10 0.00 0.69 0.00 0.00 54.13 54.34 3fku s LEU 119 Cb -0.14 -2.80 0.04 0.00 -0.43 0.00 0.00 46.19 42.86 3fku s LEU 119 CO -0.07 -1.26 0.21 -0.69 -0.29 0.00 0.00 176.35 174.26 3fku s VAL 120 N 4.00 4.44 -0.15 1.68 1.01 -0.83 -3.48 120.40 127.06 3fku s VAL 120 Ca 0.30 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 3fku s VAL 120 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3fku s VAL 120 CO 0.18 -0.30 -0.02 -0.89 0.00 0.00 0.00 175.10 174.07 3fku s THR 121 N 1.51 4.01 -0.33 3.92 2.01 -1.05 -2.52 115.64 123.19 3fku s THR 121 Ca 0.02 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 3fku s THR 121 Cb -0.20 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 3fku s THR 121 CO 0.05 0.50 0.53 -0.69 -0.69 0.00 0.00 174.62 174.31 3fku s VAL 122 N 0.29 5.02 -0.04 3.82 1.01 -1.26 -1.12 120.40 128.12 3fku s VAL 122 Ca -0.03 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 3fku s VAL 122 Cb -0.14 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 3fku s VAL 122 CO 0.03 -0.15 2.79 -1.54 0.00 0.00 0.00 175.10 176.23 3fku n SER 123 N 5.73 3.94 0.00 3.32 3.41 -0.80 -4.84 113.62 124.37 3fku n SER 123 Ca -0.04 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 3fku n SER 123 Cb 0.49 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3fku n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fku n ILE 139 N 2.68 0.00 -3.36 -1.33 3.06 -1.26 -4.97 119.36 114.17 3fku n ILE 139 Ca 0.32 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 60.19 3fku n ILE 139 Cb 0.66 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.76 3fku n ILE 139 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3fku s GLN 140 N 0.00 4.15 0.42 9.51 0.74 -1.26 -5.04 119.66 128.17 3fku s GLN 140 Ca 0.00 0.21 -0.22 0.00 0.05 0.00 0.00 55.36 55.40 3fku s GLN 140 Cb 0.00 -3.56 -0.11 0.00 1.10 0.00 0.00 33.01 30.44 3fku s GLN 140 CO 0.00 -0.10 0.96 -1.25 -0.55 0.00 0.00 175.29 174.35 3fku s PRO 141 N 1.52 4.25 0.10 1.67 0.05 -1.26 -4.99 135.00 136.33 3fku s PRO 141 Ca 0.19 1.19 0.23 0.00 0.05 0.00 0.00 61.00 62.66 3fku s PRO 141 Cb -0.15 -2.28 0.19 0.00 0.05 0.00 0.00 34.50 32.31 3fku s PRO 141 CO 0.08 -0.02 1.17 0.41 0.05 0.00 0.00 177.00 178.70 3fku n GLY 142 N -0.38 -1.34 3.19 0.56 0.00 -1.13 -4.90 105.19 101.19 3fku n GLY 142 Ca 0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.24 2.37 -0.19 0.99 1.43 -0.11 -4.92 118.68 114.01 3fku s LEU 143 Ca 0.04 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3fku s LEU 143 Cb 0.13 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 3fku s LEU 143 CO 0.76 -0.18 0.05 -0.89 0.23 0.00 0.00 176.35 176.32 3fku s THR 144 N -2.02 4.59 0.01 5.49 2.01 -0.26 -3.54 115.64 121.93 3fku s THR 144 Ca 0.04 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3fku s THR 144 Cb -0.06 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 3fku s THR 144 CO 0.01 0.45 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.25 3fku s GLN 145 N 0.54 0.30 0.24 4.92 -0.21 -1.26 -1.27 119.66 122.93 3fku s GLN 145 Ca 0.02 -0.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 3fku s GLN 145 Cb -0.13 -0.12 -0.10 0.00 1.00 0.00 0.00 33.01 33.66 3fku s GLN 145 CO 0.01 0.02 1.52 -1.25 -2.12 0.00 0.00 175.29 173.47 3fku s PRO 146 N -0.81 4.21 0.09 2.91 0.04 -1.26 -4.71 135.00 135.46 3fku s PRO 146 Ca -0.07 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 3fku s PRO 146 Cb -0.06 -3.09 -0.14 0.00 0.04 0.00 0.00 34.50 31.25 3fku s PRO 146 CO -0.00 -0.53 1.32 -1.35 0.04 0.00 0.00 177.00 176.48 3fku h PRO 147 N 5.38 0.72 -4.76 0.56 0.11 -1.97 -3.38 132.00 128.65 3fku h PRO 147 Ca -0.45 -0.52 -0.68 0.00 0.11 0.00 0.00 66.00 64.46 3fku h PRO 147 Cb 1.22 0.09 -0.25 0.00 0.11 0.00 0.00 31.00 32.16 3fku h PRO 147 CO 0.81 1.14 -0.59 -1.12 -0.21 0.00 0.00 178.00 178.03 3fku s SER 148 N -6.85 5.30 -0.21 -2.05 0.01 -1.26 -1.02 113.70 107.62 3fku s SER 148 Ca -0.11 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 3fku s SER 148 Cb 0.08 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.45 3fku s SER 148 CO 0.87 -0.23 0.04 -0.69 0.41 0.00 0.00 173.24 173.64 3fku s VAL 149 N 1.52 0.63 -0.08 3.43 1.01 -1.16 -5.00 120.40 120.74 3fku s VAL 149 Ca 0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3fku s VAL 149 Cb -0.18 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3fku s VAL 149 CO 0.04 -0.26 -0.22 -0.44 0.00 0.00 0.00 175.10 174.21 3fku s SER 150 N 1.80 3.29 0.04 3.32 0.01 -1.26 -2.53 113.70 118.37 3fku s SER 150 Ca -0.00 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.78 3fku s SER 150 Cb -0.17 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 3fku s SER 150 CO -0.10 0.21 -0.03 -0.54 0.41 0.00 0.00 173.24 173.19 3fku s LYS 151 N 0.05 0.50 0.82 12.44 -0.14 -0.61 -4.95 119.74 127.85 3fku s LYS 151 Ca -0.09 -0.97 -0.11 0.00 -1.36 0.00 0.00 55.97 53.44 3fku s LYS 151 Cb -0.15 0.15 0.09 0.00 -1.68 0.00 0.00 37.83 36.23 3fku s LYS 151 CO 0.06 -0.08 1.09 0.20 -0.76 0.00 0.00 175.35 175.86 3fku s GLY 152 N -2.32 1.65 0.35 -3.33 0.00 -1.26 -2.82 107.32 99.59 3fku s GLY 152 Ca -0.02 0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.54 3fku s GLY 152 CO -0.06 0.52 1.08 1.04 0.00 0.00 0.00 173.10 175.68 3fku n LEU 153 N -3.67 2.50 -2.96 0.66 4.77 -1.16 -2.69 117.00 114.46 3fku n LEU 153 Ca 0.08 1.13 -0.22 0.00 -0.03 0.00 0.00 56.01 56.98 3fku n LEU 153 Cb 0.54 -1.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.31 3fku n LEU 153 CO 0.54 -1.21 0.03 0.54 -1.33 0.00 0.00 177.39 175.96 3fku n ARG 154 N 0.48 -5.06 -1.31 3.23 1.74 -0.74 -4.87 116.66 110.13 3fku n ARG 154 Ca 0.08 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 3fku n ARG 154 Cb 0.36 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.13 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 -4.00 1.74 -3.78 5.56 1.13 -1.09 -4.63 117.38 112.30 3fku n GLN 155 Ca -0.10 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.68 3fku n GLN 155 Cb 0.61 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.80 3fku n GLN 155 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3fku s THR 156 N 0.20 0.84 -0.30 5.09 2.01 -1.26 -0.69 115.64 121.53 3fku s THR 156 Ca 0.00 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 3fku s THR 156 Cb 0.00 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 3fku s THR 156 CO 0.00 -0.34 0.11 0.00 -0.69 0.00 0.00 174.62 173.70 3fku s ALA 157 N 1.69 3.16 -0.49 7.40 0.00 -0.77 -4.91 121.76 127.84 3fku s ALA 157 Ca 0.02 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 3fku s ALA 157 Cb -0.17 -2.24 0.11 0.00 0.00 0.00 0.00 23.12 20.82 3fku s ALA 157 CO -0.13 -0.87 0.41 0.95 0.00 0.00 0.00 175.76 176.13 3fku s THR 158 N 1.56 4.90 -0.20 0.00 -4.23 -1.26 -1.73 115.64 114.68 3fku s THR 158 Ca 0.04 -1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 3fku s THR 158 Cb -0.17 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.56 3fku s THR 158 CO 0.04 -0.73 0.60 -0.76 -0.54 0.00 0.00 174.62 173.23 3fku s LEU 159 N 1.54 4.15 0.50 4.79 1.02 -0.62 -4.87 118.68 125.20 3fku s LEU 159 Ca 0.04 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.96 3fku s LEU 159 Cb -0.27 -2.85 -0.00 0.00 0.02 0.00 0.00 46.19 43.09 3fku s LEU 159 CO 0.03 -0.25 0.77 0.42 0.02 0.00 0.00 176.35 177.34 3fku s THR 160 N 1.83 4.00 -0.16 5.49 -4.23 -1.26 -1.59 115.64 119.72 3fku s THR 160 Ca 0.28 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 3fku s THR 160 Cb -0.16 -3.52 0.05 0.00 1.34 0.00 0.00 72.50 70.21 3fku s THR 160 CO 0.10 -0.45 0.40 0.00 -0.54 0.00 0.00 174.62 174.13 3fku s THR 162 N 1.09 0.13 0.00 0.00 2.01 -0.39 -0.10 115.64 118.37 3fku s THR 162 Ca -0.07 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3fku s THR 162 Cb -0.07 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.92 3fku s THR 162 CO -0.09 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 3fku n GLY 163 N 1.29 2.95 0.31 4.40 0.00 -0.80 -1.11 105.19 112.24 3fku n GLY 163 Ca -0.22 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 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 0.11 -0.03 1.61 0.23 -1.26 -4.75 115.26 111.17 3fku n ASN 164 Ca 0.00 -1.09 -0.02 0.00 -0.53 0.00 0.00 54.58 52.94 3fku n ASN 164 Cb 0.00 -0.05 0.25 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.05 0.56 1.14 0.53 0.87 -1.94 -1.00 113.55 113.67 3fku h SER 165 Ca -0.03 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3fku h SER 165 Cb 0.10 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3fku h SER 165 CO 0.03 0.65 0.00 0.59 -0.53 0.00 0.00 176.83 177.57 3fku n ASN 166 N -4.25 0.59 0.00 6.23 3.02 -1.26 -1.69 115.26 117.90 3fku n ASN 166 Ca 0.02 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 3fku n ASN 166 Cb 0.27 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3fku n ASN 166 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3fku n ASN 167 N -2.08 0.00 0.08 6.41 0.23 -1.25 -0.71 115.26 117.94 3fku n ASN 167 Ca 0.05 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.01 3fku n ASN 167 Cb 0.35 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.96 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 1.61 -0.29 3.53 2.07 -1.73 -2.38 116.25 119.06 3fku h VAL 168 Ca 0.00 -3.11 0.05 0.00 0.82 0.00 0.00 66.70 64.47 3fku h VAL 168 Cb 0.00 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 3fku h VAL 168 CO 0.00 0.90 -0.03 1.23 0.02 0.00 0.00 177.57 179.69 3fku h GLY 169 N 2.38 0.26 0.02 2.17 0.00 -1.22 -2.89 103.07 103.80 3fku h GLY 169 Ca -0.04 0.06 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 3fku h GLY 169 CO 0.14 -0.08 -1.65 0.70 0.00 0.00 0.00 176.54 175.65 3fku n ASN 170 N -5.19 1.90 -0.00 0.19 5.03 -0.68 -4.73 115.26 111.76 3fku n ASN 170 Ca -0.00 0.39 0.10 0.00 0.87 0.00 0.00 54.58 55.93 3fku n ASN 170 Cb 0.16 -0.92 -0.13 0.00 -1.02 0.00 0.00 39.78 37.87 3fku n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fku n GLN 171 N -4.34 0.58 0.00 3.52 3.00 -0.90 -5.08 117.38 114.16 3fku n GLN 171 Ca -0.39 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3fku n GLN 171 Cb 0.75 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.54 3fku n GLN 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 172 N 1.41 0.75 3.64 1.08 0.00 -1.09 -4.86 105.19 106.13 3fku n GLY 172 Ca -0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.96 -2.20 0.24 4.61 0.00 -1.26 -4.20 121.76 116.99 3fku s ALA 173 Ca 0.00 2.24 -0.08 0.00 0.00 0.00 0.00 51.96 54.11 3fku s ALA 173 Cb 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 3fku s ALA 173 CO 0.00 -0.35 0.54 0.00 0.00 0.00 0.00 175.76 175.95 3fku s ALA 174 N 1.37 3.59 0.04 0.00 0.00 0.27 -4.47 121.76 122.56 3fku s ALA 174 Ca -0.09 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3fku s ALA 174 Cb -0.04 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3fku s ALA 174 CO -0.16 0.46 -0.18 -1.58 0.00 0.00 0.00 175.76 174.30 3fku s TRP 175 N -1.87 2.55 -0.04 0.00 0.52 -1.23 -0.78 118.94 118.09 3fku s TRP 175 Ca 0.46 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.33 3fku s TRP 175 Cb -0.11 -1.46 0.03 0.00 -1.15 0.00 0.00 33.47 30.77 3fku s TRP 175 CO 0.23 0.25 -0.01 -0.51 0.02 0.00 0.00 176.95 176.93 3fku s LEU 176 N -1.43 1.03 0.44 2.99 1.43 0.34 -0.81 118.68 122.66 3fku s LEU 176 Ca 0.15 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3fku s LEU 176 Cb -0.10 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 3fku s LEU 176 CO 0.05 -0.12 0.75 -1.58 0.23 0.00 0.00 176.35 175.69 3fku s GLN 177 N 1.26 3.61 -0.28 1.70 0.74 -0.62 -1.13 119.66 124.94 3fku s GLN 177 Ca -0.06 0.22 -0.15 0.00 0.05 0.00 0.00 55.36 55.42 3fku s GLN 177 Cb -0.13 -2.42 0.08 0.00 1.10 0.00 0.00 33.01 31.64 3fku s GLN 177 CO -0.02 -0.11 0.67 -1.14 -0.55 0.00 0.00 175.29 174.15 3fku s GLN 178 N -4.39 0.69 0.31 1.67 0.74 0.11 -2.02 119.66 116.76 3fku s GLN 178 Ca 0.48 1.22 0.07 0.00 0.05 0.00 0.00 55.36 57.17 3fku s GLN 178 Cb -0.10 0.17 -0.02 0.00 1.10 0.00 0.00 33.01 34.15 3fku s GLN 178 CO 0.40 -0.15 0.36 -1.01 -0.55 0.00 0.00 175.29 174.34 3fku s HIS 179 N 1.69 3.12 0.34 1.67 3.76 -1.26 0.82 115.29 125.43 3fku s HIS 179 Ca -0.10 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 3fku s HIS 179 Cb -0.06 -1.78 -0.12 0.00 1.11 0.00 0.00 32.58 31.74 3fku s HIS 179 CO -0.20 0.20 1.43 0.94 -0.85 0.00 0.00 174.74 176.26 3fku n GLN 180 N -1.46 2.44 0.00 1.40 0.00 -1.26 -3.37 117.38 115.13 3fku n GLN 180 Ca -0.03 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.82 3fku n GLN 180 Cb 0.58 -2.54 0.00 0.00 0.00 0.00 0.00 30.24 28.28 3fku n GLN 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fku n GLY 181 N 0.93 2.80 3.93 1.69 0.00 -1.26 -5.01 105.19 108.27 3fku n GLY 181 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.76 3.51 1.00 1.61 3.76 -1.22 -5.11 115.29 118.08 3fku s HIS 182 Ca 0.00 0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 3fku s HIS 182 Cb 0.00 -1.74 0.19 0.00 1.11 0.00 0.00 32.58 32.14 3fku s HIS 182 CO 0.00 0.56 1.09 -1.25 -0.85 0.00 0.00 174.74 174.29 3fku s PRO 183 N -2.74 0.40 0.29 8.40 0.04 -1.26 -4.52 135.00 135.61 3fku s PRO 183 Ca 0.35 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 3fku s PRO 183 Cb -0.12 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3fku s PRO 183 CO 0.28 -2.77 1.03 -1.25 0.04 0.00 0.00 177.00 174.34 3fku s PRO 184 N -4.91 4.63 -0.07 0.56 0.05 -1.26 -4.81 135.00 129.19 3fku s PRO 184 Ca 0.65 1.63 0.00 0.00 0.05 0.00 0.00 61.00 63.33 3fku s PRO 184 Cb -0.19 -3.08 -0.03 0.00 0.05 0.00 0.00 34.50 31.25 3fku s PRO 184 CO 0.58 0.25 -0.06 0.21 0.05 0.00 0.00 177.00 178.04 3fku s LYS 185 N -1.58 2.81 0.35 4.56 2.20 -0.85 -4.69 119.74 122.53 3fku s LYS 185 Ca 0.46 -0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 55.29 3fku s LYS 185 Cb -0.28 -2.63 -0.09 0.00 -1.51 0.00 0.00 37.83 33.32 3fku s LYS 185 CO 0.35 0.66 1.00 -1.17 -0.36 0.00 0.00 175.35 175.83 3fku s LEU 186 N -0.78 4.27 0.00 5.43 2.96 -1.26 -1.59 118.68 127.71 3fku s LEU 186 Ca 0.12 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3fku s LEU 186 Cb -0.11 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.52 3fku s LEU 186 CO 0.02 -0.26 0.00 0.18 -1.32 0.00 0.00 176.35 174.97 3fku n LEU 187 N 0.34 0.00 -3.62 -0.68 4.77 0.01 -4.89 117.00 112.92 3fku n LEU 187 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 3fku n LEU 187 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 3fku n LEU 187 CO 0.45 0.00 0.33 -0.94 -1.33 0.00 0.00 177.39 175.90 3fku s SER 188 N -1.76 -0.60 1.08 -1.43 1.04 -1.24 -4.39 113.70 106.39 3fku s SER 188 Ca 0.00 0.93 -0.14 0.00 0.48 0.00 0.00 55.95 57.22 3fku s SER 188 Cb 0.00 0.90 0.23 0.00 0.10 0.00 0.00 66.02 67.25 3fku s SER 188 CO 0.00 -0.38 1.09 -0.31 0.98 0.00 0.00 173.24 174.62 3fku s TYR 189 N -0.40 1.56 0.14 5.02 2.02 0.21 -3.51 117.35 122.40 3fku s TYR 189 Ca -0.05 0.85 0.35 0.00 -0.37 0.00 0.00 57.07 57.84 3fku s TYR 189 Cb -0.03 -3.30 1.45 0.00 -0.40 0.00 0.00 41.96 39.68 3fku s TYR 189 CO 0.04 -3.31 2.01 0.07 -1.57 0.00 0.00 175.55 172.80 3fku h ARG 190 N -2.19 0.00 -0.52 -0.62 0.11 -1.88 -2.38 114.38 106.90 3fku h ARG 190 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.55 3fku h ARG 190 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3fku h ARG 190 CO 0.51 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.85 3fku n ASN 191 N -3.08 2.77 -1.08 0.08 6.94 -1.26 -4.02 115.26 115.60 3fku n ASN 191 Ca 0.00 -2.03 -0.05 0.00 -0.02 0.00 0.00 54.58 52.48 3fku n ASN 191 Cb 0.29 -0.35 0.01 0.00 -2.36 0.00 0.00 39.78 37.37 3fku n ASN 191 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3fku n ASN 192 N 0.96 -2.83 -4.59 0.53 3.02 -0.89 -5.07 115.26 106.39 3fku n ASN 192 Ca 0.17 -0.10 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 3fku n ASN 192 Cb 0.45 -1.51 -0.11 0.00 -0.61 0.00 0.00 39.78 38.00 3fku n ASN 192 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3fku s ASP 193 N -3.02 5.17 0.20 6.41 -0.00 -1.26 -4.73 116.67 119.43 3fku s ASP 193 Ca 0.11 0.01 -0.27 0.00 -0.00 0.00 0.00 52.55 52.39 3fku s ASP 193 Cb -0.05 -1.76 -0.08 0.00 -0.00 0.00 0.00 42.92 41.02 3fku s ASP 193 CO 0.13 0.22 0.85 0.00 -0.00 0.00 0.00 175.17 176.37 3fku s ARG 194 N 0.05 4.69 0.00 8.23 1.70 -1.26 -0.62 118.95 131.74 3fku s ARG 194 Ca 0.02 1.30 0.00 0.00 -0.47 0.00 0.00 55.73 56.58 3fku s ARG 194 Cb -0.13 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 30.98 3fku s ARG 194 CO 0.02 0.55 0.00 -2.30 -1.08 0.00 0.00 175.30 172.49 3fku n PRO 195 N 1.56 -0.39 0.00 3.89 -0.02 -1.26 -4.94 135.00 133.84 3fku n PRO 195 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3fku n PRO 195 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3fku n PRO 195 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fku n SER 196 N -2.01 0.00 -0.28 2.55 2.88 -1.26 -4.14 113.62 111.36 3fku n SER 196 Ca 0.00 0.52 0.15 0.00 -1.33 0.00 0.00 58.87 58.20 3fku n SER 196 Cb 0.00 -0.02 0.70 0.00 -0.75 0.00 0.00 64.21 64.14 3fku n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fku n GLY 197 N -0.62 -0.42 3.68 0.46 0.00 -1.26 -4.82 105.19 102.21 3fku n GLY 197 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3fku n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fku s ILE 198 N -2.00 3.53 0.82 -0.61 -1.09 -1.26 -4.96 121.20 115.63 3fku s ILE 198 Ca 0.42 0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 59.60 3fku s ILE 198 Cb 0.21 -3.58 0.06 0.00 -1.58 0.00 0.00 42.46 37.58 3fku s ILE 198 CO 0.35 -0.01 0.98 -1.54 -1.23 0.00 0.00 174.94 173.49 3fku n SER 199 N 5.66 0.21 -1.17 3.58 3.41 -1.26 -4.83 113.62 119.22 3fku n SER 199 Ca 0.14 0.55 -0.02 0.00 -0.26 0.00 0.00 58.87 59.28 3fku n SER 199 Cb 0.43 -1.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.07 3fku n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fku n GLU 200 N -2.69 2.04 -1.46 4.33 4.71 -1.26 -3.67 120.64 122.65 3fku n GLU 200 Ca 0.12 -1.12 -0.03 0.00 -0.01 0.00 0.00 57.16 56.12 3fku n GLU 200 Cb 0.51 -1.64 0.10 0.00 -1.01 0.00 0.00 31.44 29.39 3fku n GLU 200 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3fku n ARG 201 N 0.10 1.79 -3.59 3.49 1.85 -1.26 -4.87 116.66 114.17 3fku n ARG 201 Ca 0.14 -3.28 -0.30 0.00 -1.00 0.00 0.00 57.85 53.42 3fku n ARG 201 Cb 0.72 -1.44 -0.08 0.00 -1.05 0.00 0.00 32.46 30.61 3fku n ARG 201 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fku n PHE 202 N -0.60 3.52 -2.04 2.89 3.72 -1.24 -2.60 117.46 121.11 3fku n PHE 202 Ca 0.21 -4.09 -0.39 0.00 -0.05 0.00 0.00 57.45 53.13 3fku n PHE 202 Cb 0.87 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3fku n PHE 202 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fku s SER 203 N -1.69 5.29 0.51 4.37 0.15 -0.13 -4.85 113.70 117.36 3fku s SER 203 Ca 0.32 0.37 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 3fku s SER 203 Cb 0.04 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 3fku s SER 203 CO -0.08 -2.35 1.13 0.00 1.20 0.00 0.00 173.24 173.14 3fku s ALA 204 N 8.99 2.79 0.23 5.45 0.00 -1.26 -1.33 121.76 136.63 3fku s ALA 204 Ca 0.67 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 3fku s ALA 204 Cb -0.13 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3fku s ALA 204 CO 0.21 -0.68 0.56 0.45 0.00 0.00 0.00 175.76 176.29 3fku s SER 205 N -1.69 -0.20 -0.16 0.00 0.15 0.11 -4.94 113.70 106.97 3fku s SER 205 Ca 0.70 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 56.38 3fku s SER 205 Cb -0.24 0.62 0.11 0.00 -1.71 0.00 0.00 66.02 64.80 3fku s SER 205 CO 0.28 -1.16 0.92 -0.60 1.20 0.00 0.00 173.24 173.89 3fku s ARG 206 N -3.94 0.69 -0.39 5.44 3.52 -1.26 -1.76 118.95 121.26 3fku s ARG 206 Ca 0.14 0.28 0.08 0.00 -0.13 0.00 0.00 55.73 56.09 3fku s ARG 206 Cb -0.02 0.33 0.18 0.00 -1.56 0.00 0.00 34.95 33.88 3fku s ARG 206 CO 0.04 -0.19 0.62 0.45 -0.81 0.00 0.00 175.30 175.41 3fku s SER 207 N -0.85 -1.55 0.80 -2.12 0.15 -0.85 -4.97 113.70 104.31 3fku s SER 207 Ca -0.03 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.02 3fku s SER 207 Cb -0.01 1.98 0.00 0.00 -1.71 0.00 0.00 66.02 66.28 3fku s SER 207 CO 0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3fku n GLY 208 N 4.61 1.21 1.52 9.45 0.00 -1.26 -3.68 105.19 117.04 3fku n GLY 208 Ca 0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 6.46 3.98 -4.20 1.61 4.13 -1.26 -4.30 115.26 121.68 3fku n ASN 209 Ca 0.00 -2.73 -0.15 0.00 1.68 0.00 0.00 54.58 53.38 3fku n ASN 209 Cb 0.00 -0.65 -0.11 0.00 -1.54 0.00 0.00 39.78 37.48 3fku n ASN 209 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3fku s THR 210 N -2.17 1.03 -0.07 3.41 -1.32 -1.24 -1.91 115.64 113.37 3fku s THR 210 Ca 0.36 -1.76 -0.03 0.00 -1.21 0.00 0.00 61.69 59.05 3fku s THR 210 Cb 0.29 -1.51 0.04 0.00 -1.51 0.00 0.00 72.50 69.81 3fku s THR 210 CO 0.10 -0.60 0.10 0.00 -2.21 0.00 0.00 174.62 172.01 3fku s ALA 211 N -2.67 0.11 -0.12 11.08 0.00 0.85 -2.00 121.76 129.02 3fku s ALA 211 Ca 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 3fku s ALA 211 Cb -0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3fku s ALA 211 CO 0.00 -0.60 -0.03 -1.12 0.00 0.00 0.00 175.76 174.01 3fku s SER 212 N 2.21 4.88 -0.29 0.00 0.01 -0.72 -1.19 113.70 118.60 3fku s SER 212 Ca 0.04 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.29 3fku s SER 212 Cb -0.13 -1.55 0.08 0.00 0.21 0.00 0.00 66.02 64.64 3fku s SER 212 CO -0.05 0.27 0.01 -0.22 0.41 0.00 0.00 173.24 173.66 3fku s LEU 213 N -0.24 3.53 -0.19 2.44 1.98 -0.62 0.05 118.68 125.63 3fku s LEU 213 Ca 0.04 -1.68 -0.09 0.00 -2.89 0.00 0.00 54.13 49.51 3fku s LEU 213 Cb -0.13 -1.36 -0.05 0.00 0.66 0.00 0.00 46.19 45.31 3fku s LEU 213 CO 0.02 -0.32 0.11 -0.89 -1.89 0.00 0.00 176.35 173.39 3fku s THR 214 N 1.19 5.27 -0.11 3.68 2.01 -0.44 -1.59 115.64 125.65 3fku s THR 214 Ca 0.03 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 3fku s THR 214 Cb -0.19 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3fku s THR 214 CO -0.10 0.46 0.02 -0.63 -0.69 0.00 0.00 174.62 173.67 3fku s ILE 215 N 0.27 4.44 -0.28 1.82 1.01 -0.71 -0.95 121.20 126.80 3fku s ILE 215 Ca 0.07 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3fku s ILE 215 Cb -0.11 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.54 3fku s ILE 215 CO -0.01 0.58 -0.01 -0.89 0.00 0.00 0.00 174.94 174.61 3fku s THR 216 N -0.63 1.82 0.00 2.92 2.01 -1.07 -1.84 115.64 118.85 3fku s THR 216 Ca 0.11 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.41 3fku s THR 216 Cb -0.12 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3fku s THR 216 CO 0.02 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 3fku n GLY 217 N 4.51 -0.54 3.91 4.40 0.00 0.14 -4.92 105.19 112.68 3fku n GLY 217 Ca -0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 3fku n GLY 217 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fku s LEU 218 N 0.00 4.17 0.16 0.99 1.43 -1.19 -4.87 118.68 119.37 3fku s LEU 218 Ca 0.00 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 3fku s LEU 218 Cb 0.00 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3fku s LEU 218 CO 0.00 -0.08 0.89 0.00 0.23 0.00 0.00 176.35 177.39 3fku s GLN 219 N -3.22 1.26 0.54 1.70 -2.07 -1.26 -1.79 119.66 114.81 3fku s GLN 219 Ca 0.41 -0.66 0.38 0.00 -1.82 0.00 0.00 55.36 53.67 3fku s GLN 219 Cb -0.11 0.45 1.56 0.00 -1.09 0.00 0.00 33.01 33.82 3fku s GLN 219 CO 0.28 -0.57 1.76 -1.35 -1.32 0.00 0.00 175.29 174.08 3fku h PRO 220 N 2.00 0.02 0.15 9.60 0.11 -1.99 -1.37 132.00 140.53 3fku h PRO 220 Ca -0.23 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3fku h PRO 220 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3fku h PRO 220 CO 0.26 0.01 -0.07 0.93 -0.21 0.00 0.00 178.00 178.92 3fku h GLU 221 N 0.02 -0.20 -0.75 1.05 3.07 -2.02 -3.30 114.58 112.46 3fku h GLU 221 Ca 0.64 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.66 3fku h GLU 221 Cb 2.52 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 30.33 3fku h GLU 221 CO -0.03 -0.07 -0.20 -0.44 -1.40 0.00 0.00 179.01 176.87 3fku h ASP 222 N -0.28 -0.73 -1.85 1.42 3.32 -1.67 -3.42 116.42 113.21 3fku h ASP 222 Ca -0.02 0.23 -0.66 0.00 0.02 0.00 0.00 57.03 56.59 3fku h ASP 222 Cb 0.22 0.48 0.02 0.00 0.22 0.00 0.00 39.33 40.27 3fku h ASP 222 CO 0.03 -0.25 0.96 -1.84 -1.72 0.00 0.00 179.24 176.42 3fku n GLU 223 N -5.49 1.73 -3.25 3.56 0.28 -1.24 -4.80 120.64 111.42 3fku n GLU 223 Ca 0.10 0.63 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 3fku n GLU 223 Cb 0.38 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.86 3fku n GLU 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fku n ALA 224 N 5.63 0.00 -2.11 -1.84 0.00 -1.23 -4.94 120.51 116.02 3fku n ALA 224 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 3fku n ALA 224 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.24 7.31 -0.07 0.00 1.01 0.24 -1.71 116.67 123.21 3fku s ASP 225 Ca 0.00 1.56 0.02 0.00 0.71 0.00 0.00 52.55 54.84 3fku s ASP 225 Cb 0.00 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3fku s ASP 225 CO 0.00 0.17 -0.11 -0.31 0.21 0.00 0.00 175.17 175.13 3fku s TYR 226 N -0.90 1.41 -0.05 4.23 1.51 -1.24 0.05 117.35 122.37 3fku s TYR 226 Ca 0.36 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.95 3fku s TYR 226 Cb -0.22 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3fku s TYR 226 CO 0.25 -0.29 -0.25 0.71 -1.11 0.00 0.00 175.55 174.85 3fku s TYR 227 N 0.79 2.40 0.27 2.71 2.02 -0.28 -3.09 117.35 122.17 3fku s TYR 227 Ca -0.12 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 55.91 3fku s TYR 227 Cb -0.15 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3fku s TYR 227 CO 0.02 -0.18 0.49 0.00 -1.57 0.00 0.00 175.55 174.31 3fku s SER 229 N -3.47 -0.43 0.05 0.00 1.04 0.04 -1.92 113.70 109.01 3fku s SER 229 Ca 0.40 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.76 3fku s SER 229 Cb -0.10 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3fku s SER 229 CO 0.31 -0.84 0.23 1.07 0.98 0.00 0.00 173.24 174.99 3fku n THR 230 N -0.05 0.00 -4.55 2.02 5.66 -1.13 -0.57 114.28 115.67 3fku n THR 230 Ca -0.17 -0.14 -0.34 0.00 -3.05 0.00 0.00 64.05 60.35 3fku n THR 230 Cb 0.63 0.18 -0.12 0.00 -1.55 0.00 0.00 70.33 69.47 3fku n THR 230 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3fku s TRP 231 N -5.44 2.96 -0.42 1.09 -0.11 -1.26 -0.23 118.94 115.53 3fku s TRP 231 Ca 0.05 -0.20 -0.15 0.00 1.22 0.00 0.00 56.10 57.02 3fku s TRP 231 Cb -0.01 -1.83 0.03 0.00 -1.50 0.00 0.00 33.47 30.16 3fku s TRP 231 CO 0.01 0.11 0.31 0.34 -4.62 0.00 0.00 176.95 173.10 3fku s ASP 232 N -0.16 6.10 0.55 5.86 3.68 0.12 -4.25 116.67 128.56 3fku s ASP 232 Ca 0.02 -0.96 0.36 0.00 2.13 0.00 0.00 52.55 54.10 3fku s ASP 232 Cb -0.13 -2.16 1.67 0.00 -1.45 0.00 0.00 42.92 40.85 3fku s ASP 232 CO 0.03 -0.48 2.07 0.77 0.13 0.00 0.00 175.17 177.69 3fku h SER 233 N 8.64 0.00 0.22 -0.34 4.64 -1.19 0.45 113.55 125.96 3fku h SER 233 Ca -0.27 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.73 3fku h SER 233 Cb 1.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 3fku h SER 233 CO 0.75 0.00 -2.08 -0.24 -0.87 0.00 0.00 176.83 174.39 3fku n SER 234 N -2.96 0.37 0.16 4.97 2.88 -1.26 -3.83 113.62 113.94 3fku n SER 234 Ca -0.01 0.17 0.05 0.00 -1.33 0.00 0.00 58.87 57.75 3fku n SER 234 Cb 0.21 0.59 0.07 0.00 -0.75 0.00 0.00 64.21 64.32 3fku n SER 234 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3fku h LEU 235 N 0.00 0.00 0.07 2.46 3.38 -1.89 -3.47 115.31 115.86 3fku h LEU 235 Ca -0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3fku h LEU 235 Cb 2.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 3fku h LEU 235 CO 0.05 0.40 -0.03 -0.24 0.09 0.00 0.00 178.44 178.71 3fku n SER 236 N -3.21 -3.86 -4.29 -0.43 2.88 0.16 -4.83 113.62 100.04 3fku n SER 236 Ca 0.02 0.04 -0.22 0.00 -1.33 0.00 0.00 58.87 57.38 3fku n SER 236 Cb 0.69 -1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 3fku n SER 236 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fku s ALA 237 N -1.84 2.43 0.67 -1.46 0.00 -1.05 -4.93 121.76 115.59 3fku s ALA 237 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.12 3fku s ALA 237 Cb 0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3fku s ALA 237 CO 0.00 -0.36 1.07 0.08 0.00 0.00 0.00 175.76 176.56 3fku s VAL 238 N -3.36 3.70 0.10 0.00 1.01 -1.26 0.11 120.40 120.69 3fku s VAL 238 Ca 0.32 0.67 0.03 0.00 0.00 0.00 0.00 61.98 63.00 3fku s VAL 238 Cb 0.06 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3fku s VAL 238 CO 0.15 -0.61 -0.09 -0.69 0.00 0.00 0.00 175.10 173.85 3fku s VAL 239 N -2.73 0.88 0.28 2.92 1.01 0.68 -4.73 120.40 118.72 3fku s VAL 239 Ca 0.62 -1.68 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3fku s VAL 239 Cb -0.16 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 3fku s VAL 239 CO 0.47 -0.62 0.03 -0.36 0.00 0.00 0.00 175.10 174.62 3fku s PHE 240 N -2.65 1.79 0.73 5.22 0.40 -1.26 -2.82 117.98 119.39 3fku s PHE 240 Ca 0.06 -0.94 -0.03 0.00 -0.60 0.00 0.00 56.93 55.43 3fku s PHE 240 Cb -0.01 -1.10 0.12 0.00 0.51 0.00 0.00 43.02 42.53 3fku s PHE 240 CO -0.01 -0.01 1.01 0.20 0.70 0.00 0.00 175.22 177.11 3fku s GLY 241 N -3.40 1.76 0.00 4.36 0.00 -0.81 -0.93 107.32 108.30 3fku s GLY 241 Ca 0.33 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3fku s GLY 241 CO 0.13 -1.01 0.33 0.61 0.00 0.00 0.00 173.10 173.16 3fku n GLY 242 N -2.90 -0.89 3.80 0.20 0.00 -1.23 -4.68 105.19 99.49 3fku n GLY 242 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3fku n GLY 242 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 243 N -0.77 -0.21 -0.42 -0.02 0.00 -1.26 -4.49 107.32 100.15 3fku s GLY 243 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.98 3fku s GLY 243 CO 0.00 2.25 0.82 -1.59 0.00 0.00 0.00 173.10 174.58 3fku s THR 244 N -2.34 -0.72 -0.15 0.90 2.01 -1.18 -3.99 115.64 110.17 3fku s THR 244 Ca 0.20 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 3fku s THR 244 Cb 0.01 0.00 -0.05 0.00 0.01 0.00 0.00 72.50 72.48 3fku s THR 244 CO -0.01 0.00 1.77 -0.54 -0.69 0.00 0.00 174.62 175.16 3fku s LYS 245 N 1.40 3.82 0.39 4.92 3.01 -0.19 -3.61 119.74 129.48 3fku s LYS 245 Ca 0.22 1.97 -0.25 0.00 -1.01 0.00 0.00 55.97 56.90 3fku s LYS 245 Cb 0.02 -4.10 -0.09 0.00 -1.01 0.00 0.00 37.83 32.65 3fku s LYS 245 CO -0.08 -1.28 1.11 -1.17 0.51 0.00 0.00 175.35 174.43 3fku s LEU 246 N 5.34 4.21 -0.18 3.17 2.96 -0.70 -2.98 118.68 130.51 3fku s LEU 246 Ca 0.79 2.20 -0.04 0.00 -0.22 0.00 0.00 54.13 56.86 3fku s LEU 246 Cb -0.31 -4.05 0.06 0.00 0.50 0.00 0.00 46.19 42.39 3fku s LEU 246 CO 0.32 -0.53 0.07 -0.89 -1.32 0.00 0.00 176.35 174.00 3fku s THR 247 N -1.49 0.14 -0.10 3.68 2.01 -1.05 -3.51 115.64 115.32 3fku s THR 247 Ca 0.56 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 3fku s THR 247 Cb -0.27 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3fku s THR 247 CO 0.34 -0.24 0.47 -0.69 -0.69 0.00 0.00 174.62 173.81 3fku s VAL 248 N 2.03 5.16 0.00 3.82 1.01 -1.26 -1.57 120.40 129.60 3fku s VAL 248 Ca 0.01 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3fku s VAL 248 Cb -0.16 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3fku s VAL 248 CO -0.08 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.37