#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 4.66 -0.02 -0.39 1.01 -1.26 -4.90 120.40 119.51 3fku s VAL 2 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3fku s VAL 2 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 3fku s VAL 2 CO 0.00 -0.15 0.02 -1.10 0.00 0.00 0.00 175.10 173.86 3fku s GLN 3 N -2.89 0.11 0.29 2.72 -0.21 -1.26 -4.99 119.66 113.44 3fku s GLN 3 Ca 0.53 0.13 -0.02 0.00 0.02 0.00 0.00 55.36 56.02 3fku s GLN 3 Cb -0.11 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.51 3fku s GLN 3 CO 0.18 -0.15 0.52 -0.51 -2.12 0.00 0.00 175.29 173.20 3fku s LEU 4 N 1.02 4.08 -0.19 2.90 1.02 -1.26 -2.15 118.68 124.08 3fku s LEU 4 Ca -0.09 0.55 -0.09 0.00 0.02 0.00 0.00 54.13 54.52 3fku s LEU 4 Cb -0.13 -3.37 0.08 0.00 0.02 0.00 0.00 46.19 42.79 3fku s LEU 4 CO -0.02 -0.20 0.44 -0.69 0.02 0.00 0.00 176.35 175.90 3fku s VAL 5 N -2.13 -0.34 0.42 -1.59 1.01 -0.82 -4.53 120.40 112.42 3fku s VAL 5 Ca 0.41 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.59 3fku s VAL 5 Cb -0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3fku s VAL 5 CO 0.32 0.05 0.30 -1.10 0.00 0.00 0.00 175.10 174.67 3fku s GLN 6 N 2.02 2.39 0.78 2.72 -0.21 -1.26 -1.45 119.66 124.65 3fku s GLN 6 Ca -0.06 -1.69 -0.12 0.00 0.02 0.00 0.00 55.36 53.52 3fku s GLN 6 Cb -0.10 -2.20 0.06 0.00 1.00 0.00 0.00 33.01 31.77 3fku s GLN 6 CO -0.13 -0.18 1.14 -1.12 -2.12 0.00 0.00 175.29 172.87 3fku s SER 7 N -4.04 4.78 0.59 5.90 0.01 -0.95 -5.00 113.70 114.99 3fku s SER 7 Ca 0.45 0.97 -0.17 0.00 1.31 0.00 0.00 55.95 58.51 3fku s SER 7 Cb -0.00 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3fku s SER 7 CO 0.25 -1.75 1.09 -0.83 0.41 0.00 0.00 173.24 172.41 3fku s GLY 8 N -4.40 2.31 -0.21 3.44 0.00 -1.26 -4.69 107.32 102.51 3fku s GLY 8 Ca 0.61 0.58 -0.28 0.00 0.00 0.00 0.00 44.72 45.62 3fku s GLY 8 CO 0.51 0.92 2.05 0.00 0.00 0.00 0.00 173.10 176.58 3fku s ALA 9 N -2.18 2.90 0.10 3.20 0.00 -1.26 -4.88 121.76 119.63 3fku s ALA 9 Ca 0.67 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 3fku s ALA 9 Cb -0.19 -4.02 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 3fku s ALA 9 CO 0.34 -2.55 0.47 -1.21 0.00 0.00 0.00 175.76 172.80 3fku s GLU 10 N 5.85 3.88 -0.08 0.00 2.02 -1.04 -5.01 118.70 124.32 3fku s GLU 10 Ca 0.92 0.35 0.04 0.00 0.02 0.00 0.00 54.97 56.30 3fku s GLU 10 Cb -0.31 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 3fku s GLU 10 CO 0.35 0.53 -0.22 0.08 0.02 0.00 0.00 175.26 176.03 3fku s VAL 11 N -1.40 2.33 0.03 2.63 1.01 -1.26 -1.17 120.40 122.58 3fku s VAL 11 Ca 0.34 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3fku s VAL 11 Cb -0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3fku s VAL 11 CO 0.18 0.56 -0.03 -0.54 0.00 0.00 0.00 175.10 175.27 3fku s LYS 12 N -0.06 0.44 -0.22 2.72 -0.14 0.23 -4.95 119.74 117.76 3fku s LYS 12 Ca -0.06 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 53.58 3fku s LYS 12 Cb -0.14 0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 36.08 3fku s LYS 12 CO 0.05 -0.06 0.26 0.15 -0.76 0.00 0.00 175.35 174.98 3fku s LYS 13 N -2.36 4.11 0.04 1.68 1.02 -1.26 0.60 119.74 123.57 3fku s LYS 13 Ca -0.07 -0.06 -0.34 0.00 0.02 0.00 0.00 55.97 55.51 3fku s LYS 13 Cb -0.03 -3.54 -0.18 0.00 -0.52 0.00 0.00 37.83 33.56 3fku s LYS 13 CO -0.04 0.02 0.86 -2.30 -0.92 0.00 0.00 175.35 172.97 3fku n PRO 14 N 4.37 0.00 0.00 -1.68 -0.02 -1.26 -0.61 135.00 135.80 3fku n PRO 14 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3fku n PRO 14 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 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 1.47 2.56 3.68 -1.23 0.00 -0.05 -4.98 105.19 106.65 3fku n GLY 15 Ca 0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3fku n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fku s SER 16 N 0.00 6.50 1.14 1.61 1.04 0.22 -2.83 113.70 121.38 3fku s SER 16 Ca 0.00 2.61 -0.14 0.00 0.48 0.00 0.00 55.95 58.90 3fku s SER 16 Cb 0.00 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.80 3fku s SER 16 CO 0.00 -0.98 0.77 -1.54 0.98 0.00 0.00 173.24 172.47 3fku n SER 17 N 6.32 -1.76 -4.17 7.02 3.41 -1.26 -4.17 113.62 119.00 3fku n SER 17 Ca 0.18 -0.10 -0.18 0.00 -0.26 0.00 0.00 58.87 58.51 3fku n SER 17 Cb 0.40 -1.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.03 3fku n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fku s VAL 18 N -2.38 1.10 -0.12 -3.33 0.11 -0.86 -4.97 120.40 109.96 3fku s VAL 18 Ca 0.65 -1.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 3fku s VAL 18 Cb -0.22 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 3fku s VAL 18 CO 0.65 -0.27 -0.15 -0.75 -3.33 0.00 0.00 175.10 171.25 3fku s LYS 19 N -1.88 2.29 0.04 1.54 2.20 -1.26 -0.61 119.74 122.05 3fku s LYS 19 Ca -0.01 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.08 3fku s LYS 19 Cb -0.09 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.24 3fku s LYS 19 CO 0.02 -0.09 -0.16 0.54 -0.36 0.00 0.00 175.35 175.30 3fku s VAL 20 N 1.07 1.24 0.08 4.02 0.11 -0.42 -4.99 120.40 121.50 3fku s VAL 20 Ca -0.04 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 3fku s VAL 20 Cb -0.15 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3fku s VAL 20 CO -0.03 0.07 -0.10 -0.94 -3.33 0.00 0.00 175.10 170.77 3fku s SER 21 N -1.08 1.32 0.05 3.54 1.04 -1.26 -0.45 113.70 116.85 3fku s SER 21 Ca 0.03 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.75 3fku s SER 21 Cb -0.08 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3fku s SER 21 CO 0.01 -0.22 -0.06 0.00 0.98 0.00 0.00 173.24 173.95 3fku s THR 23 N -2.40 0.73 -0.07 0.00 2.01 -0.53 -1.15 115.64 114.24 3fku s THR 23 Ca -0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3fku s THR 23 Cb -0.03 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 3fku s THR 23 CO -0.03 -0.09 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.12 3fku s SER 24 N -1.01 4.06 0.11 3.53 0.15 -0.17 -1.95 113.70 118.42 3fku s SER 24 Ca -0.02 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.28 3fku s SER 24 Cb -0.07 -1.02 -0.08 0.00 -1.71 0.00 0.00 66.02 63.14 3fku s SER 24 CO 0.01 0.31 1.42 0.77 1.20 0.00 0.00 173.24 176.94 3fku h SER 25 N 5.62 0.86 -3.82 5.45 4.64 -1.76 -3.46 113.55 121.08 3fku h SER 25 Ca -0.42 -0.49 -0.50 0.00 -0.47 0.00 0.00 61.79 59.90 3fku h SER 25 Cb 1.17 -0.24 0.02 0.00 -0.31 0.00 0.00 62.40 63.03 3fku h SER 25 CO 0.51 1.19 0.48 -1.83 -0.87 0.00 0.00 176.83 176.31 3fku s GLU 26 N -4.28 4.60 0.01 4.77 -1.05 -1.26 -4.98 118.70 116.51 3fku s GLU 26 Ca -0.12 1.80 -0.20 0.00 -0.15 0.00 0.00 54.97 56.30 3fku s GLU 26 Cb 0.09 -3.14 -0.21 0.00 -0.44 0.00 0.00 34.13 30.43 3fku s GLU 26 CO 0.86 0.18 1.15 0.28 0.95 0.00 0.00 175.26 178.68 3fku h VAL 27 N 3.04 1.42 -0.34 1.83 2.07 -2.03 -3.32 116.25 118.92 3fku h VAL 27 Ca -0.47 -1.91 -0.42 0.00 0.82 0.00 0.00 66.70 64.72 3fku h VAL 27 Cb 1.21 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 3fku h VAL 27 CO 0.67 0.56 1.41 0.35 0.02 0.00 0.00 177.57 180.57 3fku n THR 28 N -4.29 1.89 0.10 2.57 -2.24 -1.26 -4.49 114.28 106.56 3fku n THR 28 Ca -0.09 -1.89 0.04 0.00 -2.27 0.00 0.00 64.05 59.83 3fku n THR 28 Cb 0.60 -2.21 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 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 12.50 0.00 1.35 4.78 7.35 -1.25 -4.35 117.46 137.84 3fku n PHE 29 Ca 0.46 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 57.29 3fku n PHE 29 Cb 0.45 -0.13 0.65 0.00 0.35 0.00 0.00 39.48 40.80 3fku n PHE 29 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3fku n SER 30 N -1.60 0.24 0.11 -2.13 7.64 -1.26 -3.59 113.62 113.03 3fku n SER 30 Ca -0.01 -0.28 0.12 0.00 1.01 0.00 0.00 58.87 59.71 3fku n SER 30 Cb 0.18 -0.18 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 3fku n SER 30 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3fku h SER 31 N 0.26 0.00 -3.26 6.43 4.64 -1.94 -2.55 113.55 117.13 3fku h SER 31 Ca 0.00 -0.08 -0.67 0.00 -0.47 0.00 0.00 61.79 60.57 3fku h SER 31 Cb 0.35 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.13 3fku h SER 31 CO 0.00 0.04 -0.83 -0.36 -0.87 0.00 0.00 176.83 174.82 3fku s PHE 32 N -3.22 2.74 0.48 4.77 0.08 -1.24 -3.66 117.98 117.93 3fku s PHE 32 Ca 0.05 -1.12 -0.23 0.00 0.12 0.00 0.00 56.93 55.75 3fku s PHE 32 Cb 0.11 -1.86 -0.07 0.00 -0.57 0.00 0.00 43.02 40.63 3fku s PHE 32 CO 0.71 -0.51 1.27 0.00 -0.10 0.00 0.00 175.22 176.59 3fku s ALA 33 N 0.79 2.99 -0.02 5.36 0.00 -0.41 -4.48 121.76 125.98 3fku s ALA 33 Ca -0.06 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.12 3fku s ALA 33 Cb -0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3fku s ALA 33 CO -0.00 -0.95 -0.24 0.42 0.00 0.00 0.00 175.76 174.98 3fku s ILE 34 N -1.39 1.92 0.32 0.00 1.09 -0.03 -0.93 121.20 122.18 3fku s ILE 34 Ca 0.65 -1.03 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 3fku s ILE 34 Cb -0.35 -1.60 -0.06 0.00 -1.06 0.00 0.00 42.46 39.39 3fku s ILE 34 CO 0.43 0.54 0.00 -0.44 -0.10 0.00 0.00 174.94 175.37 3fku s SER 35 N -0.49 2.78 -0.07 3.58 0.01 0.11 -0.08 113.70 119.53 3fku s SER 35 Ca 0.07 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 56.05 3fku s SER 35 Cb -0.10 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.97 3fku s SER 35 CO -0.00 -0.48 -0.12 0.26 0.41 0.00 0.00 173.24 173.31 3fku s TRP 36 N -3.09 1.47 -0.13 2.43 0.52 -0.76 -0.96 118.94 118.41 3fku s TRP 36 Ca 0.33 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.88 3fku s TRP 36 Cb 0.07 -1.07 0.07 0.00 -1.15 0.00 0.00 33.47 31.38 3fku s TRP 36 CO 0.14 -0.28 0.21 0.08 0.02 0.00 0.00 176.95 177.13 3fku s VAL 37 N 0.66 -0.33 0.20 4.03 1.01 -0.18 -0.85 120.40 124.94 3fku s VAL 37 Ca -0.15 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3fku s VAL 37 Cb -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3fku s VAL 37 CO 0.04 0.03 0.29 0.00 0.00 0.00 0.00 175.10 175.45 3fku s ARG 38 N 2.34 3.33 -0.33 2.72 1.70 0.12 -1.32 118.95 127.51 3fku s ARG 38 Ca 0.04 -0.74 -0.01 0.00 -0.47 0.00 0.00 55.73 54.55 3fku s ARG 38 Cb -0.13 -2.86 0.11 0.00 -0.57 0.00 0.00 34.95 31.50 3fku s ARG 38 CO -0.09 0.47 0.14 -1.14 -1.08 0.00 0.00 175.30 173.61 3fku s GLN 39 N -3.56 0.64 0.53 3.89 0.74 0.11 -2.54 119.66 119.46 3fku s GLN 39 Ca 0.34 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.42 3fku s GLN 39 Cb -0.10 -1.73 -0.05 0.00 1.10 0.00 0.00 33.01 32.23 3fku s GLN 39 CO 0.28 -1.06 1.22 0.00 -0.55 0.00 0.00 175.29 175.18 3fku s ALA 40 N 1.46 2.77 -0.47 1.58 0.00 -1.26 -1.81 121.76 124.03 3fku s ALA 40 Ca 0.12 1.03 -0.41 0.00 0.00 0.00 0.00 51.96 52.70 3fku s ALA 40 Cb -0.19 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.31 3fku s ALA 40 CO -0.20 -0.98 1.98 -2.30 0.00 0.00 0.00 175.76 174.26 3fku n PRO 41 N -1.05 0.00 0.00 0.00 -0.02 -1.26 -2.12 135.00 130.55 3fku n PRO 41 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3fku n PRO 41 Cb 0.48 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 6.92 1.90 0.00 -1.23 0.00 -1.26 -4.98 105.19 106.55 3fku n GLY 42 Ca 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -3.13 1.61 3.00 -0.90 -5.04 117.38 112.92 3fku n GLN 43 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3fku n GLN 43 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 30.24 29.85 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 0.05 1.07 3.90 1.08 0.00 -1.26 -4.95 105.19 105.08 3fku n GLY 44 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 3.71 -0.29 0.99 1.43 -1.26 -4.41 118.68 118.85 3fku s LEU 45 Ca 0.14 0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 3fku s LEU 45 Cb -0.03 -3.85 0.11 0.00 0.03 0.00 0.00 46.19 42.44 3fku s LEU 45 CO 0.07 -0.51 0.71 -0.70 0.23 0.00 0.00 176.35 176.15 3fku s GLU 46 N -4.50 0.62 -0.28 1.70 2.12 -1.05 -4.79 118.70 112.51 3fku s GLU 46 Ca 0.47 1.24 -0.12 0.00 0.36 0.00 0.00 54.97 56.92 3fku s GLU 46 Cb -0.10 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3fku s GLU 46 CO 0.41 -0.16 0.25 -0.46 -0.54 0.00 0.00 175.26 174.77 3fku s TRP 47 N 2.10 3.23 -0.10 5.30 -0.00 -1.26 -0.70 118.94 127.49 3fku s TRP 47 Ca -0.08 0.21 -0.23 0.00 -0.00 0.00 0.00 56.10 56.00 3fku s TRP 47 Cb -0.07 -2.45 -0.20 0.00 -0.00 0.00 0.00 33.47 30.75 3fku s TRP 47 CO -0.19 -0.19 0.75 -0.07 -0.00 0.00 0.00 176.95 177.25 3fku h LEU 48 N 8.45 -0.03 0.00 5.86 3.38 -1.38 -3.42 115.31 128.18 3fku h LEU 48 Ca -0.34 -0.69 0.09 0.00 0.09 0.00 0.00 57.88 57.03 3fku h LEU 48 Cb 1.18 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3fku h LEU 48 CO 0.58 0.76 0.22 0.61 0.09 0.00 0.00 178.44 180.70 3fku n GLY 49 N 1.27 0.49 3.63 0.83 0.00 -1.23 -0.42 105.19 109.76 3fku n GLY 49 Ca -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 3fku n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fku s GLY 50 N -3.02 -0.35 0.02 -0.02 0.00 -0.10 -1.83 107.32 102.02 3fku s GLY 50 Ca 0.07 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.40 3fku s GLY 50 CO -0.00 0.17 -0.05 -1.50 0.00 0.00 0.00 173.10 171.72 3fku s ILE 51 N -3.13 0.35 -0.40 0.90 1.10 0.89 -1.39 121.20 119.51 3fku s ILE 51 Ca 0.09 -0.69 -0.18 0.00 -0.51 0.00 0.00 60.65 59.36 3fku s ILE 51 Cb -0.01 -0.40 0.01 0.00 0.15 0.00 0.00 42.46 42.22 3fku s ILE 51 CO -0.03 -0.23 0.48 -0.55 -2.11 0.00 0.00 174.94 172.50 3fku s SER 52 N -0.98 6.24 0.16 4.50 0.15 -1.03 -0.85 113.70 121.89 3fku s SER 52 Ca -0.07 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 55.97 3fku s SER 52 Cb -0.07 -2.25 0.07 0.00 -1.71 0.00 0.00 66.02 62.07 3fku s SER 52 CO -0.00 -0.57 1.72 -0.65 1.20 0.00 0.00 173.24 174.94 3fku h PRO 53 N 8.68 0.16 -0.81 5.44 0.11 -1.79 1.57 132.00 145.35 3fku h PRO 53 Ca -0.27 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.03 3fku h PRO 53 Cb 1.11 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.06 3fku h PRO 53 CO 0.80 0.10 0.17 1.98 -0.21 0.00 0.00 178.00 180.84 3fku h MET 54 N 0.16 0.20 0.00 1.05 -1.53 -1.78 -3.17 114.93 109.87 3fku h MET 54 Ca 0.17 -0.01 -0.23 0.00 -3.44 0.00 0.00 59.70 56.19 3fku h MET 54 Cb 0.20 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.16 3fku h MET 54 CO -0.24 0.13 -1.86 1.19 0.14 0.00 0.00 176.91 176.28 3fku n PHE 55 N -5.23 0.00 -0.84 1.39 3.72 -1.14 -5.02 117.46 110.33 3fku n PHE 55 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3fku n PHE 55 Cb 0.57 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 2.52 0.56 3.69 1.37 0.00 0.54 -5.01 105.19 108.86 3fku n GLY 56 Ca -0.24 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 4.74 0.37 2.61 2.01 -1.25 -4.85 115.64 117.27 3fku s THR 57 Ca 0.00 2.01 0.06 0.00 0.31 0.00 0.00 61.69 64.07 3fku s THR 57 Cb 0.00 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 3fku s THR 57 CO 0.00 0.01 0.52 -2.16 -0.69 0.00 0.00 174.62 172.30 3fku s PRO 58 N 1.96 3.04 -0.00 4.92 0.04 -1.26 -2.45 135.00 141.25 3fku s PRO 58 Ca 0.49 -1.00 -0.03 0.00 0.04 0.00 0.00 61.00 60.50 3fku s PRO 58 Cb -0.19 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 3fku s PRO 58 CO 0.19 -0.05 0.05 0.54 0.04 0.00 0.00 177.00 177.76 3fku s ASN 59 N -4.22 0.07 0.30 6.66 2.20 -0.49 -5.00 114.94 114.46 3fku s ASN 59 Ca 0.48 -0.20 0.11 0.00 -0.94 0.00 0.00 52.86 52.31 3fku s ASN 59 Cb -0.10 0.14 -0.05 0.00 -2.00 0.00 0.00 41.25 39.24 3fku s ASN 59 CO 0.32 -0.22 -0.13 -0.31 -2.94 0.00 0.00 177.10 173.83 3fku s TYR 60 N -0.89 2.40 0.47 1.54 1.51 -1.26 -0.93 117.35 120.19 3fku s TYR 60 Ca -0.10 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.41 3fku s TYR 60 Cb -0.06 -1.15 -0.09 0.00 -0.11 0.00 0.00 41.96 40.55 3fku s TYR 60 CO 0.00 0.65 0.99 0.00 -1.11 0.00 0.00 175.55 176.08 3fku s ALA 61 N -2.50 2.98 0.25 3.71 0.00 0.44 -4.87 121.76 121.75 3fku s ALA 61 Ca 0.31 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 3fku s ALA 61 Cb -0.03 -3.18 0.27 0.00 0.00 0.00 0.00 23.12 20.18 3fku s ALA 61 CO 0.17 -0.11 1.79 1.96 0.00 0.00 0.00 175.76 179.57 3fku h GLN 62 N 1.58 0.99 -0.34 0.00 4.20 -1.89 -1.69 115.11 117.96 3fku h GLN 62 Ca -0.49 -0.21 0.10 0.00 0.06 0.00 0.00 58.65 58.11 3fku h GLN 62 Cb 1.19 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3fku h GLN 62 CO 0.60 0.86 0.64 -0.22 -0.67 0.00 0.00 178.83 180.04 3fku h LYS 63 N 0.96 0.00 0.00 1.46 3.64 -1.95 0.26 116.57 120.94 3fku h LYS 63 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3fku h LYS 63 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3fku h LYS 63 CO -0.01 0.00 -0.05 1.19 -2.27 0.00 0.00 179.45 178.32 3fku n PHE 64 N -3.18 0.00 -0.37 1.91 3.72 -0.75 -4.91 117.46 113.88 3fku n PHE 64 Ca 0.06 -0.56 0.28 0.00 -0.05 0.00 0.00 57.45 57.19 3fku n PHE 64 Cb 0.77 -0.08 0.54 0.00 -0.94 0.00 0.00 39.48 39.78 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 0.00 0.24 0.00 -1.08 5.75 0.39 -2.44 115.11 117.97 3fku h GLN 65 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3fku h GLN 65 Cb 0.82 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3fku h GLN 65 CO 0.00 0.16 -0.41 0.41 -2.65 0.00 0.00 178.83 176.33 3fku n GLY 66 N -1.40 0.58 0.11 2.39 0.00 -1.26 -4.79 105.19 100.82 3fku n GLY 66 Ca 0.32 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 3fku n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fku h ARG 67 N 0.00 0.25 -6.21 1.61 2.43 -1.79 -3.47 114.38 107.21 3fku h ARG 67 Ca 0.00 -0.28 -0.57 0.00 -0.81 0.00 0.00 59.98 58.32 3fku h ARG 67 Cb 0.01 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3fku h ARG 67 CO 0.00 1.00 -0.29 0.14 -1.51 0.00 0.00 179.97 179.30 3fku s VAL 68 N -3.11 5.15 -0.10 0.20 -7.23 -1.12 -2.76 120.40 111.42 3fku s VAL 68 Ca -0.15 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.03 3fku s VAL 68 Cb 0.02 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.35 3fku s VAL 68 CO 0.77 -0.01 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.66 3fku s THR 69 N -1.72 0.51 -0.07 5.32 2.01 -0.57 -4.94 115.64 116.19 3fku s THR 69 Ca 0.41 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.37 3fku s THR 69 Cb -0.12 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 3fku s THR 69 CO 0.25 0.18 -0.21 0.27 -0.69 0.00 0.00 174.62 174.41 3fku s ILE 70 N 1.91 1.80 0.12 1.82 -5.25 -1.26 -0.85 121.20 119.48 3fku s ILE 70 Ca 0.04 -0.90 -0.08 0.00 -0.99 0.00 0.00 60.65 58.72 3fku s ILE 70 Cb -0.13 -1.55 -0.01 0.00 2.95 0.00 0.00 42.46 43.72 3fku s ILE 70 CO -0.06 0.50 0.20 0.42 -1.79 0.00 0.00 174.94 174.21 3fku s THR 71 N 0.13 0.12 0.06 8.37 -4.23 -0.46 -4.81 115.64 114.82 3fku s THR 71 Ca -0.09 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 3fku s THR 71 Cb -0.15 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3fku s THR 71 CO 0.05 -0.54 -0.18 0.00 -0.54 0.00 0.00 174.62 173.41 3fku s ALA 72 N -3.91 1.55 -0.14 3.99 0.00 -1.26 0.12 121.76 122.11 3fku s ALA 72 Ca 0.11 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 3fku s ALA 72 Cb 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3fku s ALA 72 CO -0.06 0.32 0.04 0.34 0.00 0.00 0.00 175.76 176.39 3fku s ASP 73 N -1.41 5.50 -0.01 0.00 2.15 0.22 -4.96 116.67 118.16 3fku s ASP 73 Ca 0.05 0.13 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 3fku s ASP 73 Cb -0.09 -1.79 -0.33 0.00 -0.30 0.00 0.00 42.92 40.41 3fku s ASP 73 CO 0.02 0.27 0.90 1.56 -0.17 0.00 0.00 175.17 177.76 3fku h GLN 74 N 5.94 0.42 0.37 4.34 1.08 -1.90 -2.96 115.11 122.40 3fku h GLN 74 Ca -0.43 -0.72 -0.02 0.00 -1.45 0.00 0.00 58.65 56.03 3fku h GLN 74 Cb 1.19 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 3fku h GLN 74 CO 0.63 1.35 -0.18 0.66 -0.95 0.00 0.00 178.83 180.33 3fku h SER 75 N -0.08 -0.42 -4.48 1.46 4.64 -1.96 -3.40 113.55 109.31 3fku h SER 75 Ca -0.23 -0.14 -0.47 0.00 -0.47 0.00 0.00 61.79 60.49 3fku h SER 75 Cb 1.94 0.11 0.10 0.00 -0.31 0.00 0.00 62.40 64.25 3fku h SER 75 CO 0.21 0.00 0.38 0.42 -0.87 0.00 0.00 176.83 176.97 3fku s THR 76 N -4.08 2.33 -0.78 2.95 -4.23 -1.26 -5.02 115.64 105.55 3fku s THR 76 Ca -0.12 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3fku s THR 76 Cb 0.01 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 71.07 3fku s THR 76 CO 0.44 -0.14 0.83 -2.11 -0.54 0.00 0.00 174.62 173.10 3fku n ARG 77 N -3.39 2.75 -3.70 3.99 1.85 -1.26 -4.74 116.66 112.16 3fku n ARG 77 Ca 0.07 -4.58 -0.14 0.00 -1.00 0.00 0.00 57.85 52.20 3fku n ARG 77 Cb 0.60 -2.34 -0.09 0.00 -1.05 0.00 0.00 32.46 29.58 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 -2.10 0.02 0.15 8.89 2.01 -1.12 -0.99 115.64 122.51 3fku s THR 78 Ca 0.33 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.20 3fku s THR 78 Cb 0.05 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3fku s THR 78 CO -0.05 -0.11 -0.16 0.00 -0.69 0.00 0.00 174.62 173.61 3fku s ALA 79 N -0.67 1.78 0.03 7.40 0.00 -0.30 0.71 121.76 130.71 3fku s ALA 79 Ca -0.08 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.50 3fku s ALA 79 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3fku s ALA 79 CO 0.04 0.15 -0.12 0.71 0.00 0.00 0.00 175.76 176.53 3fku s TYR 80 N -2.24 1.08 -0.15 0.00 1.51 0.33 -1.50 117.35 116.38 3fku s TYR 80 Ca 0.14 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 3fku s TYR 80 Cb -0.04 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3fku s TYR 80 CO 0.05 0.01 -0.20 1.41 -1.11 0.00 0.00 175.55 175.72 3fku s MET 81 N -1.03 2.84 -0.53 -0.62 1.75 0.40 -1.35 119.30 120.75 3fku s MET 81 Ca 0.00 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 3fku s MET 81 Cb -0.07 -2.39 0.14 0.00 2.84 0.00 0.00 34.83 35.34 3fku s MET 81 CO 0.01 -0.12 0.34 0.34 -0.65 0.00 0.00 175.02 174.93 3fku s ASP 82 N 1.10 5.19 -0.83 1.11 3.68 -0.03 -1.31 116.67 125.59 3fku s ASP 82 Ca -0.01 -2.54 -0.17 0.00 2.13 0.00 0.00 52.55 51.95 3fku s ASP 82 Cb -0.14 -1.83 0.15 0.00 -1.45 0.00 0.00 42.92 39.65 3fku s ASP 82 CO -0.07 -0.43 0.94 -0.22 0.13 0.00 0.00 175.17 175.52 3fku s LEU 83 N 0.39 5.61 0.69 -1.34 0.20 0.22 -1.51 118.68 122.95 3fku s LEU 83 Ca 0.14 -2.10 -0.10 0.00 0.69 0.00 0.00 54.13 52.75 3fku s LEU 83 Cb -0.21 -2.33 0.02 0.00 -0.43 0.00 0.00 46.19 43.24 3fku s LEU 83 CO -0.04 -0.94 1.07 -0.13 -0.29 0.00 0.00 176.35 176.02 3fku s ARG 84 N 1.96 2.82 -1.32 1.98 0.52 -1.11 -2.02 118.95 121.78 3fku s ARG 84 Ca 0.24 0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 55.76 3fku s ARG 84 Cb -0.10 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.32 3fku s ARG 84 CO -0.06 -1.01 0.94 0.45 0.02 0.00 0.00 175.30 175.65 3fku n SER 85 N -2.95 -3.05 -4.61 0.23 2.88 -1.22 -4.75 113.62 100.14 3fku n SER 85 Ca 0.07 -0.69 -0.31 0.00 -1.33 0.00 0.00 58.87 56.61 3fku n SER 85 Cb 0.57 -4.59 0.18 0.00 -0.75 0.00 0.00 64.21 59.63 3fku n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3fku n LEU 86 N -4.44 2.16 0.00 2.46 4.77 -1.13 -4.74 117.00 116.09 3fku n LEU 86 Ca -0.18 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3fku n LEU 86 Cb 0.63 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3fku n LEU 86 CO 0.66 -2.48 0.00 -2.11 -1.33 0.00 0.00 177.39 172.13 3fku n ARG 87 N -4.19 0.00 0.10 3.23 1.85 -1.26 -0.87 116.66 115.52 3fku n ARG 87 Ca 0.10 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.72 3fku n ARG 87 Cb 0.53 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.80 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 0.00 0.87 0.03 2.89 0.87 -1.96 -3.16 113.55 113.08 3fku h SER 88 Ca 0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 3fku h SER 88 Cb 0.00 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3fku h SER 88 CO 0.00 1.62 0.00 1.21 -0.53 0.00 0.00 176.83 179.13 3fku n GLU 89 N -3.80 0.06 0.03 2.24 2.13 -1.26 -2.99 120.64 117.04 3fku n GLU 89 Ca -0.14 0.14 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3fku n GLU 89 Cb 1.00 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 31.18 3fku n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fku n ASP 90 N -1.15 0.56 -4.67 4.31 8.00 -1.19 -4.93 116.55 117.47 3fku n ASP 90 Ca 0.02 -0.19 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3fku n ASP 90 Cb 0.01 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.04 0.73 -3.76 -3.53 -1.04 -1.16 -4.91 114.28 98.56 3fku n THR 91 Ca 0.01 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.81 3fku n THR 91 Cb 0.46 -2.23 0.03 0.00 -1.82 0.00 0.00 70.33 66.77 3fku n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fku n ALA 92 N 7.31 -1.79 -2.79 2.41 0.00 -1.11 -4.23 120.51 120.31 3fku n ALA 92 Ca 0.21 -1.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.14 3fku n ALA 92 Cb 0.38 0.88 -0.08 0.00 0.00 0.00 0.00 19.45 20.64 3fku n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3fku s VAL 93 N -2.15 5.17 -0.26 0.00 -7.23 -0.75 -1.66 120.40 113.53 3fku s VAL 93 Ca 0.16 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.38 3fku s VAL 93 Cb -0.04 -3.31 0.01 0.00 0.56 0.00 0.00 36.38 33.59 3fku s VAL 93 CO 0.10 0.51 0.01 -0.31 -0.31 0.00 0.00 175.10 175.10 3fku s TYR 94 N -0.11 3.07 -0.11 2.82 1.51 -0.28 0.04 117.35 124.29 3fku s TYR 94 Ca 0.09 -1.07 -0.08 0.00 -1.01 0.00 0.00 57.07 55.00 3fku s TYR 94 Cb -0.12 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 3fku s TYR 94 CO 0.01 -0.59 0.17 0.71 -1.11 0.00 0.00 175.55 174.73 3fku s TYR 95 N 1.46 3.61 -0.09 2.71 2.02 -0.43 -1.43 117.35 125.19 3fku s TYR 95 Ca 0.03 0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 57.18 3fku s TYR 95 Cb -0.16 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 3fku s TYR 95 CO -0.01 0.72 0.29 0.00 -1.57 0.00 0.00 175.55 174.98 3fku s ALA 97 N -0.55 0.67 -0.17 0.00 0.00 -0.14 -0.52 121.76 121.06 3fku s ALA 97 Ca 0.19 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 3fku s ALA 97 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3fku s ALA 97 CO 0.07 0.16 0.45 0.50 0.00 0.00 0.00 175.76 176.95 3fku s ARG 98 N -0.18 4.25 0.02 0.00 3.52 0.66 0.04 118.95 127.26 3fku s ARG 98 Ca 0.03 0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.80 3fku s ARG 98 Cb -0.03 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 3fku s ARG 98 CO -0.00 0.03 0.47 0.45 -0.81 0.00 0.00 175.30 175.44 3fku s SER 99 N 0.86 6.90 0.57 -2.12 0.15 -0.10 -2.29 113.70 117.67 3fku s SER 99 Ca 0.23 1.07 0.35 0.00 0.70 0.00 0.00 55.95 58.30 3fku s SER 99 Cb -0.15 -2.29 1.61 0.00 -1.71 0.00 0.00 66.02 63.48 3fku s SER 99 CO 0.09 0.30 2.08 1.55 1.20 0.00 0.00 173.24 178.46 3fku h PRO 100 N 4.71 0.00 -7.06 5.44 0.13 -1.85 -3.15 132.00 130.22 3fku h PRO 100 Ca -0.50 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 3fku h PRO 100 Cb 1.22 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.42 3fku h PRO 100 CO 0.63 0.04 0.45 0.45 -0.23 0.00 0.00 178.00 179.33 3fku s SER 101 N -5.67 5.85 0.15 1.44 0.15 -1.26 -4.83 113.70 109.53 3fku s SER 101 Ca -0.01 2.21 0.27 0.00 0.70 0.00 0.00 55.95 59.12 3fku s SER 101 Cb 0.11 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.72 3fku s SER 101 CO 0.52 -1.13 1.79 0.00 1.20 0.00 0.00 173.24 175.63 3fku n TYR 102 N -1.06 0.67 -4.15 3.44 4.11 -1.24 -1.29 117.16 117.64 3fku n TYR 102 Ca 0.10 0.20 -0.15 0.00 -0.00 0.00 0.00 57.90 58.05 3fku n TYR 102 Cb 0.50 -0.81 -0.11 0.00 -0.00 0.00 0.00 39.34 38.92 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 -3.08 0.88 -0.97 -3.48 1.10 -1.26 -3.46 121.20 110.93 3fku s ILE 103 Ca 0.11 -1.45 -0.04 0.00 -0.51 0.00 0.00 60.65 58.77 3fku s ILE 103 Cb 0.14 -1.14 0.24 0.00 0.15 0.00 0.00 42.46 41.86 3fku s ILE 103 CO 0.59 -0.45 0.92 0.00 -2.11 0.00 0.00 174.94 173.88 3fku n SER 105 N 2.36 0.96 0.00 0.00 7.64 -1.26 -4.84 113.62 118.48 3fku n SER 105 Ca 0.23 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3fku n SER 105 Cb 0.38 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.29 0.85 0.28 0.23 0.00 -1.26 -4.99 105.19 100.02 3fku n GLY 106 Ca 0.02 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.93 3fku n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fku n GLY 107 N -1.15 -0.94 0.17 -0.02 0.00 -1.26 0.11 105.19 102.10 3fku n GLY 107 Ca 0.00 0.77 0.09 0.00 0.00 0.00 0.00 46.02 46.88 3fku n GLY 107 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fku h THR 108 N 0.00 0.00 -0.68 2.61 1.35 -1.95 -3.32 112.91 110.92 3fku h THR 108 Ca 0.60 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.95 3fku h THR 108 Cb 1.40 0.39 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 3fku h THR 108 CO -0.74 0.00 1.65 0.00 -0.25 0.00 0.00 175.52 176.18 3fku s VAL 110 N 7.48 2.32 -0.37 0.00 -7.23 -1.25 -4.83 120.40 116.53 3fku s VAL 110 Ca 0.61 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3fku s VAL 110 Cb 0.02 -2.36 0.11 0.00 0.56 0.00 0.00 36.38 34.71 3fku s VAL 110 CO 0.10 0.00 0.15 -0.36 -0.31 0.00 0.00 175.10 174.68 3fku s PHE 111 N -2.60 2.22 -0.92 2.82 0.08 -1.26 -4.15 117.98 114.17 3fku s PHE 111 Ca 0.58 -2.26 0.26 0.00 0.12 0.00 0.00 56.93 55.63 3fku s PHE 111 Cb -0.06 -2.03 0.66 0.00 -0.57 0.00 0.00 43.02 41.01 3fku s PHE 111 CO 0.36 -0.85 1.53 -0.40 -0.10 0.00 0.00 175.22 175.76 3fku n ASP 112 N 4.21 0.43 -3.67 1.36 3.85 -0.97 -4.41 116.55 117.36 3fku n ASP 112 Ca 0.03 0.03 -0.13 0.00 -0.71 0.00 0.00 54.79 54.01 3fku n ASP 112 Cb 0.39 0.01 -0.13 0.00 -1.35 0.00 0.00 41.12 40.05 3fku n ASP 112 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3fku s HIS 113 N -3.04 -0.46 0.00 2.11 3.76 -1.21 -4.62 115.29 111.83 3fku s HIS 113 Ca 0.11 1.03 0.08 0.00 -0.15 0.00 0.00 55.06 56.12 3fku s HIS 113 Cb 0.17 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.85 3fku s HIS 113 CO 0.66 -0.36 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.38 3fku s TRP 114 N 2.32 2.41 1.11 1.40 0.52 -1.26 -0.24 118.94 125.20 3fku s TRP 114 Ca -0.00 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.59 3fku s TRP 114 Cb -0.12 -1.49 0.24 0.00 -1.15 0.00 0.00 33.47 30.96 3fku s TRP 114 CO -0.09 0.07 1.11 0.20 0.02 0.00 0.00 176.95 178.27 3fku s GLY 115 N -0.90 1.58 0.03 0.98 0.00 0.33 -4.65 107.32 104.68 3fku s GLY 115 Ca 0.11 -0.73 0.26 0.00 0.00 0.00 0.00 44.72 44.35 3fku s GLY 115 CO 0.01 0.04 1.49 0.61 0.00 0.00 0.00 173.10 175.25 3fku n GLN 116 N -4.49 0.06 0.00 2.90 0.00 -1.26 -4.80 117.38 109.79 3fku n GLN 116 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.12 3fku n GLN 116 Cb 0.59 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.28 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 1.46 2.48 3.02 2.61 0.00 -1.26 -4.79 105.19 108.71 3fku n GLY 117 Ca 0.05 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.37 1.89 -0.20 2.61 2.01 -0.52 -4.87 115.64 115.19 3fku s THR 118 Ca 0.00 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 3fku s THR 118 Cb 0.00 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 3fku s THR 118 CO 0.00 0.02 1.25 -0.22 -0.69 0.00 0.00 174.62 174.98 3fku s LEU 119 N 1.25 4.11 -0.21 4.42 0.20 -1.26 -1.12 118.68 126.07 3fku s LEU 119 Ca -0.06 1.56 -0.02 0.00 0.69 0.00 0.00 54.13 56.30 3fku s LEU 119 Cb -0.19 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.04 3fku s LEU 119 CO -0.06 -0.82 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.40 3fku s VAL 120 N 3.65 3.00 -0.13 1.68 1.01 -0.66 -2.51 120.40 126.43 3fku s VAL 120 Ca 0.54 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 3fku s VAL 120 Cb -0.20 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3fku s VAL 120 CO 0.15 0.46 -0.05 -0.89 0.00 0.00 0.00 175.10 174.77 3fku s THR 121 N 1.39 3.80 -0.08 3.92 2.01 -0.32 -2.77 115.64 123.60 3fku s THR 121 Ca 0.05 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 3fku s THR 121 Cb -0.14 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 3fku s THR 121 CO -0.06 0.53 0.40 -0.69 -0.69 0.00 0.00 174.62 174.11 3fku s VAL 122 N 0.00 5.15 0.00 3.82 1.01 -1.26 0.76 120.40 129.88 3fku s VAL 122 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3fku s VAL 122 Cb -0.13 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3fku s VAL 122 CO 0.03 0.45 0.02 -1.54 0.00 0.00 0.00 175.10 174.06 3fku n SER 123 N 2.83 0.00 -3.58 3.32 3.41 0.20 -4.87 113.62 114.93 3fku n SER 123 Ca -0.11 0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.25 3fku n SER 123 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3fku n SER 123 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fku n SER 124 N -0.08 2.80 -3.64 4.04 7.64 -1.26 -5.06 113.62 118.07 3fku n SER 124 Ca 0.00 -3.20 -0.09 0.00 1.01 0.00 0.00 58.87 56.59 3fku n SER 124 Cb 0.00 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 3fku n SER 124 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3fku s ILE 139 N -1.77 0.00 -0.18 0.44 2.07 -1.26 -4.98 121.20 115.53 3fku s ILE 139 Ca 0.33 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 3fku s ILE 139 Cb 0.07 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.69 3fku s ILE 139 CO -0.10 0.00 -0.16 -1.58 -1.91 0.00 0.00 174.94 171.20 3fku s GLN 140 N 0.78 2.53 0.23 3.50 0.74 -1.26 -5.12 119.66 121.06 3fku s GLN 140 Ca -0.03 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.32 3fku s GLN 140 Cb -0.05 -2.39 -0.09 0.00 1.10 0.00 0.00 33.01 31.59 3fku s GLN 140 CO -0.09 -0.28 1.05 -2.14 -0.55 0.00 0.00 175.29 173.28 3fku s PRO 141 N 1.37 4.69 0.22 1.67 0.02 -1.26 -4.95 135.00 136.76 3fku s PRO 141 Ca 0.03 1.68 0.24 0.00 0.02 0.00 0.00 61.00 62.97 3fku s PRO 141 Cb -0.14 -3.25 0.40 0.00 0.02 0.00 0.00 34.50 31.54 3fku s PRO 141 CO -0.11 0.26 1.45 0.78 -0.33 0.00 0.00 177.00 179.05 3fku h GLY 142 N 4.32 0.00 -1.94 0.52 0.00 -1.85 -3.47 103.07 100.65 3fku h GLY 142 Ca -0.45 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.32 3fku h GLY 142 CO 0.69 0.00 -0.63 1.08 0.00 0.00 0.00 176.54 177.67 3fku s LEU 143 N -4.89 2.58 -0.26 3.11 1.43 -1.15 -4.94 118.68 114.56 3fku s LEU 143 Ca 0.06 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 51.88 3fku s LEU 143 Cb 0.11 -0.72 0.07 0.00 0.03 0.00 0.00 46.19 45.67 3fku s LEU 143 CO 0.69 -0.42 -0.03 -0.89 0.23 0.00 0.00 176.35 175.93 3fku s THR 144 N -2.92 1.63 -0.00 5.49 2.01 -0.78 -3.51 115.64 117.56 3fku s THR 144 Ca 0.34 -1.42 0.06 0.00 0.31 0.00 0.00 61.69 60.98 3fku s THR 144 Cb 0.07 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3fku s THR 144 CO 0.16 -0.20 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.58 3fku s GLN 145 N 1.32 1.57 0.70 4.92 -0.21 -1.26 -1.87 119.66 124.83 3fku s GLN 145 Ca -0.03 -0.75 -0.17 0.00 0.02 0.00 0.00 55.36 54.43 3fku s GLN 145 Cb -0.19 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.28 3fku s GLN 145 CO -0.08 0.42 1.19 -0.35 -2.12 0.00 0.00 175.29 174.35 3fku n PRO 146 N 2.45 0.78 0.00 2.91 -0.04 -1.26 -4.53 135.00 135.31 3fku n PRO 146 Ca -0.15 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3fku n PRO 146 Cb 0.53 -2.43 0.28 0.00 -0.04 0.00 0.00 33.50 31.85 3fku n PRO 146 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3fku n PRO 147 N -2.14 0.01 -3.30 0.54 -0.05 -1.24 -4.06 135.00 124.75 3fku n PRO 147 Ca 0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.50 3fku n PRO 147 Cb 0.49 -1.51 -0.05 0.00 -0.05 0.00 0.00 33.50 32.38 3fku n PRO 147 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 3fku s SER 148 N -3.04 0.18 -0.08 3.54 0.01 -1.26 -1.41 113.70 111.64 3fku s SER 148 Ca 0.11 -1.17 -0.20 0.00 1.31 0.00 0.00 55.95 56.00 3fku s SER 148 Cb 0.18 1.09 -0.04 0.00 0.21 0.00 0.00 66.02 67.45 3fku s SER 148 CO 0.68 -0.24 0.56 -0.69 0.41 0.00 0.00 173.24 173.97 3fku s VAL 149 N 1.71 5.10 -0.23 3.43 1.01 -0.99 -4.97 120.40 125.46 3fku s VAL 149 Ca 0.16 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 3fku s VAL 149 Cb -0.11 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.44 3fku s VAL 149 CO -0.08 0.32 0.06 -0.44 0.00 0.00 0.00 175.10 174.97 3fku s SER 150 N 0.51 3.19 0.33 3.32 0.01 -1.26 -1.81 113.70 117.99 3fku s SER 150 Ca 0.30 -1.04 0.09 0.00 1.31 0.00 0.00 55.95 56.62 3fku s SER 150 Cb -0.16 -0.60 -0.06 0.00 0.21 0.00 0.00 66.02 65.40 3fku s SER 150 CO 0.14 -0.35 -0.10 -0.54 0.41 0.00 0.00 173.24 172.80 3fku s LYS 151 N 1.86 1.77 0.42 12.44 -0.14 -0.76 -4.95 119.74 130.36 3fku s LYS 151 Ca 0.03 -1.90 -0.03 0.00 -1.36 0.00 0.00 55.97 52.70 3fku s LYS 151 Cb -0.17 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 3fku s LYS 151 CO -0.15 0.15 0.68 0.20 -0.76 0.00 0.00 175.35 175.47 3fku s GLY 152 N -3.57 1.48 0.12 -3.33 0.00 -1.26 -2.47 107.32 98.29 3fku s GLY 152 Ca 0.32 -0.64 -0.35 0.00 0.00 0.00 0.00 44.72 44.05 3fku s GLY 152 CO 0.16 -0.51 1.19 1.04 0.00 0.00 0.00 173.10 174.98 3fku n LEU 153 N -1.96 1.28 0.00 0.66 4.77 -0.91 -0.66 117.00 120.18 3fku n LEU 153 Ca -0.01 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3fku n LEU 153 Cb 0.55 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3fku n LEU 153 CO 0.51 -1.34 0.00 0.54 -1.33 0.00 0.00 177.39 175.77 3fku n ARG 154 N 1.99 -0.59 -2.53 3.23 1.74 -0.96 -4.86 116.66 114.67 3fku n ARG 154 Ca 0.17 0.15 -0.23 0.00 -0.77 0.00 0.00 57.85 57.17 3fku n ARG 154 Cb 0.21 -3.69 0.07 0.00 -1.02 0.00 0.00 32.46 28.03 3fku n ARG 154 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fku s GLN 155 N -0.71 2.20 -0.16 5.56 -1.52 0.17 -4.37 119.66 120.83 3fku s GLN 155 Ca 0.00 -0.78 -0.05 0.00 -1.95 0.00 0.00 55.36 52.58 3fku s GLN 155 Cb 0.00 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.38 3fku s GLN 155 CO 0.00 -1.05 0.01 0.99 -0.25 0.00 0.00 175.29 174.99 3fku s THR 156 N -2.98 4.29 -0.03 -0.19 2.01 -1.26 -2.32 115.64 115.16 3fku s THR 156 Ca 0.61 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 3fku s THR 156 Cb -0.09 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3fku s THR 156 CO 0.41 0.49 0.05 0.00 -0.69 0.00 0.00 174.62 174.88 3fku s ALA 157 N 0.30 3.47 -0.14 7.40 0.00 -0.62 -4.98 121.76 127.18 3fku s ALA 157 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3fku s ALA 157 Cb -0.13 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.48 3fku s ALA 157 CO 0.02 0.65 -0.12 0.95 0.00 0.00 0.00 175.76 177.26 3fku s THR 158 N -1.08 1.38 -0.09 0.00 -4.23 -1.26 -0.05 115.64 110.31 3fku s THR 158 Ca 0.19 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 3fku s THR 158 Cb -0.12 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3fku s THR 158 CO 0.10 0.41 0.08 -0.76 -0.54 0.00 0.00 174.62 173.91 3fku s LEU 159 N 1.56 4.02 -0.07 4.79 1.02 -0.43 -4.98 118.68 124.60 3fku s LEU 159 Ca 0.05 0.30 0.04 0.00 0.02 0.00 0.00 54.13 54.54 3fku s LEU 159 Cb -0.13 -2.01 -0.00 0.00 0.02 0.00 0.00 46.19 44.07 3fku s LEU 159 CO -0.10 0.38 -0.20 0.42 0.02 0.00 0.00 176.35 176.87 3fku s THR 160 N -1.00 1.73 -0.16 5.49 -4.23 -1.26 -2.05 115.64 114.16 3fku s THR 160 Ca 0.16 -0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 3fku s THR 160 Cb -0.12 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3fku s THR 160 CO 0.05 0.49 0.04 0.00 -0.54 0.00 0.00 174.62 174.65 3fku s THR 162 N 0.16 1.64 0.00 0.00 2.01 -0.78 -1.00 115.64 117.67 3fku s THR 162 Ca 0.03 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.44 3fku s THR 162 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.83 3fku s THR 162 CO 0.01 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 3fku n GLY 163 N 0.93 3.50 0.00 4.40 0.00 -0.30 -1.87 105.19 111.85 3fku n GLY 163 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -0.05 1.61 0.23 -1.26 -4.84 115.26 110.95 3fku n ASN 164 Ca 0.00 -0.88 -0.07 0.00 -0.53 0.00 0.00 54.58 53.10 3fku n ASN 164 Cb 0.00 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.00 0.70 -0.04 0.53 0.87 -1.94 0.65 113.55 114.32 3fku h SER 165 Ca 0.00 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3fku h SER 165 Cb 0.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3fku h SER 165 CO 0.00 0.94 -0.08 0.78 -0.53 0.00 0.00 176.83 177.94 3fku h ASN 166 N 0.59 -0.24 0.00 6.23 2.35 -1.94 -3.19 115.58 119.37 3fku h ASN 166 Ca 0.07 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3fku h ASN 166 Cb 0.77 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3fku h ASN 166 CO 0.06 -0.12 0.00 -0.46 -1.65 0.00 0.00 177.43 175.27 3fku n ASN 167 N -5.21 0.00 -0.16 5.81 0.23 -1.17 -1.66 115.26 113.09 3fku n ASN 167 Ca -0.05 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.11 3fku n ASN 167 Cb 0.13 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.27 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 0.89 0.00 3.53 2.07 -1.64 -2.69 116.25 118.41 3fku h VAL 168 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3fku h VAL 168 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3fku h VAL 168 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3fku n GLY 169 N -1.48 -1.31 0.42 2.17 0.00 0.22 -1.09 105.19 104.12 3fku n GLY 169 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3fku n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fku n ASN 170 N -1.79 1.79 -0.06 1.61 5.03 -1.03 -4.86 115.26 115.96 3fku n ASN 170 Ca 0.04 0.05 -0.05 0.00 0.87 0.00 0.00 54.58 55.50 3fku n ASN 170 Cb 0.27 -0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 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 -0.21 0.00 0.00 3.52 7.50 -1.59 -3.51 115.11 120.82 3fku h GLN 171 Ca -0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.91 3fku h GLN 171 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.80 3fku h GLN 171 CO -0.10 0.32 0.00 0.41 -1.50 0.00 0.00 178.83 177.95 3fku n GLY 172 N 1.72 -0.32 3.32 3.46 0.00 -0.25 -4.84 105.19 108.28 3fku n GLY 172 Ca -0.04 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.00 -0.99 -0.10 4.61 0.00 -1.23 -4.56 121.76 117.49 3fku s ALA 173 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 3fku s ALA 173 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3fku s ALA 173 CO 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 175.76 175.24 3fku s ALA 174 N -2.68 3.11 0.18 0.00 0.00 -0.81 -4.24 121.76 117.32 3fku s ALA 174 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3fku s ALA 174 Cb -0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3fku s ALA 174 CO -0.04 0.49 0.29 -1.58 0.00 0.00 0.00 175.76 174.92 3fku s TRP 175 N -0.54 3.42 0.03 0.00 0.52 -1.25 -1.04 118.94 120.08 3fku s TRP 175 Ca 0.09 0.05 -0.01 0.00 0.02 0.00 0.00 56.10 56.25 3fku s TRP 175 Cb -0.12 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3fku s TRP 175 CO 0.02 0.50 -0.02 -0.51 0.02 0.00 0.00 176.95 176.96 3fku s LEU 176 N -3.46 2.25 -0.01 2.99 1.43 0.10 -2.28 118.68 119.70 3fku s LEU 176 Ca 0.34 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3fku s LEU 176 Cb -0.10 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.25 3fku s LEU 176 CO 0.28 -0.37 -0.21 -1.58 0.23 0.00 0.00 176.35 174.70 3fku s GLN 177 N -1.99 2.17 -0.27 1.70 0.74 -0.18 -1.80 119.66 120.02 3fku s GLN 177 Ca -0.11 -0.90 -0.01 0.00 0.05 0.00 0.00 55.36 54.39 3fku s GLN 177 Cb -0.06 -2.15 0.13 0.00 1.10 0.00 0.00 33.01 32.03 3fku s GLN 177 CO -0.03 0.57 0.30 -1.14 -0.55 0.00 0.00 175.29 174.44 3fku s GLN 178 N -0.89 0.31 0.46 1.67 0.74 -0.38 -0.60 119.66 120.97 3fku s GLN 178 Ca 0.12 0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.36 3fku s GLN 178 Cb -0.10 -0.70 -0.10 0.00 1.10 0.00 0.00 33.01 33.21 3fku s GLN 178 CO 0.01 -0.91 0.99 -1.01 -0.55 0.00 0.00 175.29 173.81 3fku s HIS 179 N 2.39 3.21 0.23 1.67 3.76 -1.26 -1.77 115.29 123.52 3fku s HIS 179 Ca 0.09 1.58 -0.31 0.00 -0.15 0.00 0.00 55.06 56.27 3fku s HIS 179 Cb -0.14 -2.92 -0.14 0.00 1.11 0.00 0.00 32.58 30.49 3fku s HIS 179 CO -0.27 -0.42 1.39 0.94 -0.85 0.00 0.00 174.74 175.53 3fku n GLN 180 N -0.91 1.96 0.00 1.40 0.00 -1.26 -2.76 117.38 115.81 3fku n GLN 180 Ca 0.08 0.70 0.00 0.00 -0.00 0.00 0.00 57.00 57.77 3fku n GLN 180 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.43 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 2.16 2.73 3.80 1.69 0.00 -1.26 -5.01 105.19 109.31 3fku n GLY 181 Ca 0.12 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 2.98 0.57 1.61 3.76 -1.11 -5.06 115.29 118.03 3fku s HIS 182 Ca 0.00 1.52 -0.09 0.00 -0.15 0.00 0.00 55.06 56.35 3fku s HIS 182 Cb 0.00 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 3fku s HIS 182 CO 0.00 -1.08 0.93 -1.25 -0.85 0.00 0.00 174.74 172.49 3fku s PRO 183 N -3.91 3.54 0.41 8.40 0.04 -1.26 -4.51 135.00 137.70 3fku s PRO 183 Ca 0.64 0.50 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 3fku s PRO 183 Cb -0.16 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3fku s PRO 183 CO 0.34 -0.44 1.21 -1.25 0.04 0.00 0.00 177.00 176.90 3fku s PRO 184 N -5.01 4.00 -0.04 0.56 0.05 -1.26 -4.88 135.00 128.44 3fku s PRO 184 Ca 0.52 1.94 0.03 0.00 0.05 0.00 0.00 61.00 63.54 3fku s PRO 184 Cb -0.11 -2.69 -0.03 0.00 0.05 0.00 0.00 34.50 31.73 3fku s PRO 184 CO 0.50 -0.39 -0.10 0.21 0.05 0.00 0.00 177.00 177.26 3fku s LYS 185 N -2.30 2.56 0.05 4.56 2.20 0.23 -4.64 119.74 122.40 3fku s LYS 185 Ca 0.57 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 55.25 3fku s LYS 185 Cb -0.33 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.48 3fku s LYS 185 CO 0.42 0.63 0.82 -1.17 -0.36 0.00 0.00 175.35 175.68 3fku s LEU 186 N -0.97 4.45 -0.01 5.43 2.96 -1.26 -1.01 118.68 128.27 3fku s LEU 186 Ca 0.13 1.52 0.09 0.00 -0.22 0.00 0.00 54.13 55.65 3fku s LEU 186 Cb -0.11 -3.32 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 3fku s LEU 186 CO 0.03 -0.03 0.28 0.18 -1.32 0.00 0.00 176.35 175.49 3fku n LEU 187 N 2.93 0.22 -3.64 -0.68 4.77 -0.97 -4.79 117.00 114.84 3fku n LEU 187 Ca -0.01 -0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 3fku n LEU 187 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3fku n LEU 187 CO 0.48 0.05 0.33 -0.94 -1.33 0.00 0.00 177.39 175.99 3fku s SER 188 N -2.34 -0.63 0.87 -1.43 1.04 -1.25 -4.48 113.70 105.48 3fku s SER 188 Ca 0.00 1.09 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 3fku s SER 188 Cb 0.06 1.08 0.13 0.00 0.10 0.00 0.00 66.02 67.39 3fku s SER 188 CO 0.35 -0.31 1.21 -0.31 0.98 0.00 0.00 173.24 175.17 3fku s TYR 189 N -0.07 2.46 -0.62 5.02 2.02 0.21 -3.75 117.35 122.62 3fku s TYR 189 Ca -0.03 0.63 0.20 0.00 -0.37 0.00 0.00 57.07 57.50 3fku s TYR 189 Cb -0.04 -3.66 0.85 0.00 -0.40 0.00 0.00 41.96 38.72 3fku s TYR 189 CO 0.03 -2.14 1.60 2.89 -1.57 0.00 0.00 175.55 176.36 3fku n ARG 190 N -3.53 0.13 -0.48 -0.62 1.85 -1.26 -1.66 116.66 111.08 3fku n ARG 190 Ca 0.10 0.40 0.07 0.00 -1.00 0.00 0.00 57.85 57.42 3fku n ARG 190 Cb 0.60 -1.76 0.25 0.00 -1.05 0.00 0.00 32.46 30.50 3fku n ARG 190 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3fku n ASN 191 N -2.01 3.68 -0.37 2.89 6.94 -1.26 -3.56 115.26 121.57 3fku n ASN 191 Ca 0.02 -3.11 -0.03 0.00 -0.02 0.00 0.00 54.58 51.43 3fku n ASN 191 Cb 0.18 -0.56 -0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 -0.62 -1.99 -4.90 0.53 3.02 -0.67 -5.05 115.26 105.60 3fku n ASN 192 Ca 0.23 0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 3fku n ASN 192 Cb 0.91 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 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 -2.86 6.32 -0.06 6.41 -0.00 -1.26 -4.74 116.67 120.48 3fku s ASP 193 Ca 0.00 0.33 -0.06 0.00 -0.00 0.00 0.00 52.55 52.82 3fku s ASP 193 Cb 0.00 -1.97 -0.04 0.00 -0.00 0.00 0.00 42.92 40.91 3fku s ASP 193 CO 0.00 0.26 0.19 0.00 -0.00 0.00 0.00 175.17 175.62 3fku s ARG 194 N -1.97 3.50 1.12 8.23 1.70 -1.26 -0.62 118.95 129.65 3fku s ARG 194 Ca 0.28 -0.14 -0.13 0.00 -0.47 0.00 0.00 55.73 55.27 3fku s ARG 194 Cb -0.13 -3.14 0.26 0.00 -0.57 0.00 0.00 34.95 31.37 3fku s ARG 194 CO 0.19 0.72 1.04 -2.14 -1.08 0.00 0.00 175.30 174.03 3fku s PRO 195 N -1.44 -0.60 0.14 3.89 0.02 -1.26 -4.95 135.00 130.79 3fku s PRO 195 Ca 0.22 0.78 -0.32 0.00 0.02 0.00 0.00 61.00 61.70 3fku s PRO 195 Cb -0.13 -1.60 -0.08 0.00 0.02 0.00 0.00 34.50 32.71 3fku s PRO 195 CO 0.11 -3.50 1.55 1.03 -0.33 0.00 0.00 177.00 175.86 3fku h SER 196 N -2.46 -1.90 -0.22 2.53 0.87 -1.99 -3.16 113.55 107.23 3fku h SER 196 Ca -0.60 0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 3fku h SER 196 Cb 1.33 0.80 -0.01 0.00 -0.44 0.00 0.00 62.40 64.08 3fku h SER 196 CO 0.52 -0.36 0.04 1.23 -0.53 0.00 0.00 176.83 177.73 3fku h GLY 197 N -0.29 0.40 -5.65 5.77 0.00 -1.96 -3.45 103.07 97.89 3fku h GLY 197 Ca 0.11 -0.27 -0.73 0.00 0.00 0.00 0.00 47.33 46.44 3fku h GLY 197 CO -0.69 0.25 0.23 1.39 0.00 0.00 0.00 176.54 177.72 3fku n ILE 198 N -4.72 0.14 -2.23 2.60 2.08 -1.19 -4.89 119.36 111.15 3fku n ILE 198 Ca -0.04 -0.03 -0.36 0.00 0.56 0.00 0.00 62.75 62.88 3fku n ILE 198 Cb 0.20 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 3fku n ILE 198 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3fku s SER 199 N 0.18 5.74 -0.12 4.38 1.04 -1.26 -4.88 113.70 118.79 3fku s SER 199 Ca 0.86 2.23 -0.00 0.00 0.48 0.00 0.00 55.95 59.51 3fku s SER 199 Cb -1.09 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 62.52 3fku s SER 199 CO 0.52 -1.21 2.00 -0.62 0.98 0.00 0.00 173.24 174.91 3fku n GLU 200 N -1.18 1.29 -2.30 4.02 4.71 -1.26 -3.52 120.64 122.41 3fku n GLU 200 Ca 0.11 -0.57 0.02 0.00 -0.01 0.00 0.00 57.16 56.71 3fku n GLU 200 Cb 0.50 -1.22 0.04 0.00 -1.01 0.00 0.00 31.44 29.75 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 1.07 1.03 -3.46 3.49 1.85 -1.26 -4.94 116.66 114.45 3fku n ARG 201 Ca 0.11 -2.87 -0.26 0.00 -1.00 0.00 0.00 57.85 53.82 3fku n ARG 201 Cb 0.53 -0.94 -0.09 0.00 -1.05 0.00 0.00 32.46 30.91 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 -0.17 1.41 -1.96 2.89 3.72 -1.23 -2.11 117.46 120.00 3fku n PHE 202 Ca 0.06 -3.83 -0.42 0.00 -0.05 0.00 0.00 57.45 53.20 3fku n PHE 202 Cb 0.94 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.32 6.64 0.44 4.37 0.15 -0.57 -4.82 113.70 118.59 3fku s SER 203 Ca 0.34 2.29 -0.08 0.00 0.70 0.00 0.00 55.95 59.19 3fku s SER 203 Cb 0.09 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 3fku s SER 203 CO -0.12 -0.94 0.78 0.00 1.20 0.00 0.00 173.24 174.16 3fku s ALA 204 N 4.10 3.36 0.27 5.45 0.00 -1.26 0.73 121.76 134.41 3fku s ALA 204 Ca 0.75 -0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 3fku s ALA 204 Cb -0.34 -2.67 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3fku s ALA 204 CO 0.31 -0.15 0.86 0.45 0.00 0.00 0.00 175.76 177.22 3fku s SER 205 N -3.54 -0.10 -0.25 0.00 0.15 -1.03 -4.92 113.70 104.01 3fku s SER 205 Ca 0.50 -0.77 -0.18 0.00 0.70 0.00 0.00 55.95 56.20 3fku s SER 205 Cb -0.10 0.68 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 3fku s SER 205 CO 0.37 -1.31 0.63 -0.60 1.20 0.00 0.00 173.24 173.53 3fku s ARG 206 N -2.88 0.69 -0.30 5.44 3.52 -1.26 -2.27 118.95 121.89 3fku s ARG 206 Ca 0.15 1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 56.75 3fku s ARG 206 Cb -0.04 0.22 0.10 0.00 -1.56 0.00 0.00 34.95 33.67 3fku s ARG 206 CO 0.07 -0.12 0.12 0.45 -0.81 0.00 0.00 175.30 175.01 3fku s SER 207 N 1.04 3.74 1.57 -2.12 0.15 0.44 -4.99 113.70 113.52 3fku s SER 207 Ca -0.06 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.16 3fku s SER 207 Cb -0.05 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3fku s SER 207 CO -0.10 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.52 3fku n GLY 208 N 5.08 1.78 1.03 9.45 0.00 -1.26 -2.57 105.19 118.70 3fku n GLY 208 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 10.81 3.70 -3.90 1.61 4.13 -1.26 -4.24 115.26 126.11 3fku n ASN 209 Ca 0.00 -2.28 -0.15 0.00 1.68 0.00 0.00 54.58 53.84 3fku n ASN 209 Cb 0.00 -0.41 -0.15 0.00 -1.54 0.00 0.00 39.78 37.69 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 -1.51 0.22 0.04 3.41 -1.32 -1.06 -1.15 115.64 114.26 3fku s THR 210 Ca 0.37 -0.08 0.06 0.00 -1.21 0.00 0.00 61.69 60.83 3fku s THR 210 Cb 0.23 -0.21 -0.02 0.00 -1.51 0.00 0.00 72.50 70.98 3fku s THR 210 CO 0.20 0.08 -0.18 0.00 -2.21 0.00 0.00 174.62 172.51 3fku s ALA 211 N 0.13 1.52 -0.15 11.08 0.00 -0.17 -0.42 121.76 133.74 3fku s ALA 211 Ca -0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3fku s ALA 211 Cb -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3fku s ALA 211 CO -0.00 0.32 0.00 -1.12 0.00 0.00 0.00 175.76 174.96 3fku s SER 212 N -1.17 2.47 -0.26 0.00 0.01 -0.96 -0.92 113.70 112.87 3fku s SER 212 Ca 0.05 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 3fku s SER 212 Cb -0.08 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.53 3fku s SER 212 CO 0.02 -0.24 1.05 -0.22 0.41 0.00 0.00 173.24 174.25 3fku s LEU 213 N 1.84 4.04 -0.25 2.44 1.98 -0.87 -2.47 118.68 125.39 3fku s LEU 213 Ca 0.01 1.26 -0.06 0.00 -2.89 0.00 0.00 54.13 52.45 3fku s LEU 213 Cb -0.15 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 3fku s LEU 213 CO -0.07 -0.74 0.03 -0.89 -1.89 0.00 0.00 176.35 172.79 3fku s THR 214 N 3.34 3.91 -0.17 3.68 2.01 0.22 -1.31 115.64 127.33 3fku s THR 214 Ca 0.44 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 3fku s THR 214 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 3fku s THR 214 CO 0.09 0.32 0.10 -0.63 -0.69 0.00 0.00 174.62 173.82 3fku s ILE 215 N 1.55 5.17 -0.17 1.82 1.01 0.93 -1.51 121.20 130.00 3fku s ILE 215 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3fku s ILE 215 Cb -0.15 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.02 3fku s ILE 215 CO 0.01 0.50 -0.18 0.42 0.00 0.00 0.00 174.94 175.69 3fku s THR 216 N -0.08 2.31 0.00 2.92 -4.23 -0.90 -1.60 115.64 114.07 3fku s THR 216 Ca 0.09 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3fku s THR 216 Cb -0.12 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3fku s THR 216 CO 0.00 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3fku n GLY 217 N 4.36 0.03 3.73 3.99 0.00 -1.08 -4.92 105.19 111.31 3fku n GLY 217 Ca -0.20 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.98 3.03 0.04 0.99 1.43 -0.98 -4.71 118.68 116.50 3fku s LEU 218 Ca 0.00 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.85 3fku s LEU 218 Cb 0.00 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.77 3fku s LEU 218 CO 0.00 -2.40 0.86 0.00 0.23 0.00 0.00 176.35 175.03 3fku s GLN 219 N -4.64 0.94 0.32 1.70 -2.07 -1.26 -2.26 119.66 112.38 3fku s GLN 219 Ca 0.65 -0.37 0.08 0.00 -1.82 0.00 0.00 55.36 53.89 3fku s GLN 219 Cb -0.21 0.41 0.91 0.00 -1.09 0.00 0.00 33.01 33.03 3fku s GLN 219 CO 0.54 -0.41 1.63 -1.35 -1.32 0.00 0.00 175.29 174.38 3fku h PRO 220 N 2.00 0.16 -0.98 9.60 0.11 -1.97 0.37 132.00 141.28 3fku h PRO 220 Ca -0.24 -0.01 0.32 0.00 0.11 0.00 0.00 66.00 66.19 3fku h PRO 220 Cb 1.25 -0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 3fku h PRO 220 CO 0.31 0.11 0.26 0.93 -0.21 0.00 0.00 178.00 179.40 3fku h GLU 221 N 0.16 0.04 0.00 1.05 3.07 -2.02 -2.02 114.58 114.86 3fku h GLU 221 Ca 0.65 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.49 3fku h GLU 221 Cb 1.44 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.34 3fku h GLU 221 CO -0.71 0.03 -0.06 -0.44 -1.40 0.00 0.00 179.01 176.42 3fku h ASP 222 N 0.04 0.00 -1.17 1.42 3.32 -0.68 -3.41 116.42 115.95 3fku h ASP 222 Ca 0.69 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 57.14 3fku h ASP 222 Cb 1.61 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.06 3fku h ASP 222 CO -0.83 0.06 1.49 -1.83 -1.72 0.00 0.00 179.24 176.42 3fku s GLU 223 N -3.62 3.60 0.00 3.56 -1.05 -0.76 -4.83 118.70 115.59 3fku s GLU 223 Ca 0.01 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 3fku s GLU 223 Cb 0.09 -5.34 0.00 0.00 -0.44 0.00 0.00 34.13 28.44 3fku s GLU 223 CO 0.58 -2.19 0.00 0.00 0.95 0.00 0.00 175.26 174.60 3fku n ALA 224 N 8.76 0.00 -2.29 -0.84 0.00 -1.25 -4.91 120.51 119.98 3fku n ALA 224 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3fku n ALA 224 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 0.38 6.86 -0.09 0.00 1.01 -0.73 -1.26 116.67 122.84 3fku s ASP 225 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.42 3fku s ASP 225 Cb 0.00 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3fku s ASP 225 CO 0.00 0.06 -0.07 -0.31 0.21 0.00 0.00 175.17 175.06 3fku s TYR 226 N -1.53 1.32 -0.13 4.23 1.51 -0.62 -1.25 117.35 120.89 3fku s TYR 226 Ca 0.40 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 3fku s TYR 226 Cb -0.15 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 3fku s TYR 226 CO 0.20 -0.42 -0.11 0.71 -1.11 0.00 0.00 175.55 174.82 3fku s TYR 227 N 1.47 2.86 0.53 2.71 2.02 -0.75 -2.58 117.35 123.61 3fku s TYR 227 Ca -0.00 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 3fku s TYR 227 Cb -0.13 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3fku s TYR 227 CO -0.05 -0.10 0.79 0.00 -1.57 0.00 0.00 175.55 174.62 3fku s SER 229 N -4.29 -0.60 0.05 0.00 1.04 -0.21 -2.15 113.70 107.54 3fku s SER 229 Ca 0.52 0.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.48 3fku s SER 229 Cb -0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3fku s SER 229 CO 0.41 -0.64 0.17 1.07 0.98 0.00 0.00 173.24 175.23 3fku n THR 230 N 0.77 0.00 -3.73 2.02 5.66 -0.18 -1.92 114.28 116.90 3fku n THR 230 Ca -0.19 -0.13 -0.36 0.00 -3.05 0.00 0.00 64.05 60.32 3fku n THR 230 Cb 0.58 0.16 -0.09 0.00 -1.55 0.00 0.00 70.33 69.42 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 -6.30 3.32 -0.37 1.09 -0.11 -1.26 -0.74 118.94 114.57 3fku s TRP 231 Ca 0.04 0.21 -0.18 0.00 1.22 0.00 0.00 56.10 57.38 3fku s TRP 231 Cb -0.01 -2.21 0.00 0.00 -1.50 0.00 0.00 33.47 29.75 3fku s TRP 231 CO 0.01 0.13 0.53 0.34 -4.62 0.00 0.00 176.95 173.34 3fku s ASP 232 N 0.79 6.31 0.54 5.86 3.68 -0.17 -4.06 116.67 129.61 3fku s ASP 232 Ca 0.07 -0.13 0.32 0.00 2.13 0.00 0.00 52.55 54.94 3fku s ASP 232 Cb -0.13 -2.27 1.25 0.00 -1.45 0.00 0.00 42.92 40.32 3fku s ASP 232 CO 0.02 -0.54 1.94 0.77 0.13 0.00 0.00 175.17 177.49 3fku h SER 233 N 8.55 0.00 0.03 -0.34 4.64 -1.61 -1.29 113.55 123.52 3fku h SER 233 Ca -0.27 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 3fku h SER 233 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3fku h SER 233 CO 0.80 0.00 -0.54 -1.28 -0.87 0.00 0.00 176.83 174.94 3fku h SER 234 N 0.00 0.10 0.55 4.97 0.87 -1.93 -3.36 113.55 114.75 3fku h SER 234 Ca -0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 3fku h SER 234 Cb 0.57 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3fku h SER 234 CO 0.00 1.23 0.00 0.18 -0.53 0.00 0.00 176.83 177.71 3fku n LEU 235 N -4.44 0.00 -3.52 2.23 4.77 -1.16 -4.92 117.00 109.96 3fku n LEU 235 Ca -0.17 0.41 -0.19 0.00 -0.03 0.00 0.00 56.01 56.03 3fku n LEU 235 Cb 0.61 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3fku n LEU 235 CO 0.33 -0.13 0.08 -0.24 -1.33 0.00 0.00 177.39 176.10 3fku n SER 236 N -1.41 -2.32 -3.66 -1.43 2.88 -0.50 -4.78 113.62 102.40 3fku n SER 236 Ca 0.07 -0.66 0.02 0.00 -1.33 0.00 0.00 58.87 56.97 3fku n SER 236 Cb 0.20 -4.85 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 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 -3.42 -2.35 0.22 -1.46 0.00 -1.20 -4.77 121.76 108.78 3fku s ALA 237 Ca 0.07 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 3fku s ALA 237 Cb -0.03 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 3fku s ALA 237 CO 0.75 -1.08 0.55 0.08 0.00 0.00 0.00 175.76 176.06 3fku s VAL 238 N -2.24 4.93 -0.03 0.00 1.01 -1.26 -1.00 120.40 121.81 3fku s VAL 238 Ca 0.18 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 3fku s VAL 238 Cb 0.04 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3fku s VAL 238 CO -0.04 -0.04 0.06 -0.69 0.00 0.00 0.00 175.10 174.39 3fku s VAL 239 N -1.78 -0.02 0.05 2.92 1.01 0.08 -4.67 120.40 117.98 3fku s VAL 239 Ca 0.46 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.58 3fku s VAL 239 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3fku s VAL 239 CO 0.21 0.03 -0.17 -0.36 0.00 0.00 0.00 175.10 174.81 3fku s PHE 240 N 0.44 1.48 1.21 5.22 0.40 -1.26 -1.01 117.98 124.46 3fku s PHE 240 Ca -0.03 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 3fku s PHE 240 Cb -0.05 -0.87 0.29 0.00 0.51 0.00 0.00 43.02 42.91 3fku s PHE 240 CO -0.02 0.08 1.13 0.20 0.70 0.00 0.00 175.22 177.31 3fku s GLY 241 N -1.32 1.60 -0.02 4.36 0.00 -0.91 -2.76 107.32 108.27 3fku s GLY 241 Ca 0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 3fku s GLY 241 CO 0.02 -0.12 0.47 -1.33 0.00 0.00 0.00 173.10 172.14 3fku h GLY 242 N -2.59 -0.23 0.00 0.20 0.00 -1.83 -3.44 103.07 95.18 3fku h GLY 242 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3fku h GLY 242 CO 0.32 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.38 3fku n GLY 243 N 0.71 2.37 2.81 4.60 0.00 -1.26 -4.68 105.19 109.73 3fku n GLY 243 Ca -0.03 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3fku n GLY 243 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fku s THR 244 N -2.00 -0.43 -0.24 2.61 2.01 -1.07 -3.68 115.64 112.83 3fku s THR 244 Ca 0.00 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 3fku s THR 244 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.75 3fku s THR 244 CO 0.00 -0.20 1.17 -0.54 -0.69 0.00 0.00 174.62 174.36 3fku s LYS 245 N 2.41 4.14 -0.03 4.92 1.02 -0.50 -1.59 119.74 130.11 3fku s LYS 245 Ca 0.09 1.37 -0.23 0.00 0.02 0.00 0.00 55.97 57.23 3fku s LYS 245 Cb -0.15 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3fku s LYS 245 CO -0.16 -0.81 0.67 -1.17 -0.92 0.00 0.00 175.35 172.96 3fku s LEU 246 N 3.64 4.37 -0.21 3.17 2.96 -0.39 -2.36 118.68 129.85 3fku s LEU 246 Ca 0.50 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 3fku s LEU 246 Cb -0.17 -3.04 0.05 0.00 0.50 0.00 0.00 46.19 43.52 3fku s LEU 246 CO 0.14 -0.03 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.16 3fku s THR 247 N 0.36 1.68 0.12 3.68 2.01 -0.75 -3.84 115.64 118.89 3fku s THR 247 Ca 0.35 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 3fku s THR 247 Cb -0.18 -1.79 -0.07 0.00 0.01 0.00 0.00 72.50 70.47 3fku s THR 247 CO 0.18 0.10 0.57 -0.69 -0.69 0.00 0.00 174.62 174.10 3fku s VAL 248 N 1.37 4.78 0.00 3.82 1.01 -1.25 -1.83 120.40 128.30 3fku s VAL 248 Ca -0.03 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3fku s VAL 248 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3fku s VAL 248 CO -0.08 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.40