#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqn s TRP 5 N 0.00 0.68 0.00 1.57 1.48 -1.26 -4.97 118.94 116.43 1fqn s TRP 5 Ca 0.00 -0.99 0.00 0.00 -1.06 0.00 0.00 56.10 54.05 1fqn s TRP 5 Cb 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 1fqn s TRP 5 CO 0.00 -0.83 0.00 0.41 -4.06 0.00 0.00 176.95 172.47 1fqn n GLY 6 N -0.32 1.74 0.00 3.67 0.00 -0.54 -5.00 105.19 104.74 1fqn n GLY 6 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1fqn n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fqn n TYR 7 N 0.00 0.00 -1.73 1.61 4.01 -1.26 -3.70 117.16 116.09 1fqn n TYR 7 Ca 0.00 -0.19 -0.30 0.00 -0.16 0.00 0.00 57.90 57.25 1fqn n TYR 7 Cb 0.00 -0.02 0.21 0.00 -0.31 0.00 0.00 39.34 39.22 1fqn n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fqn s GLY 8 N -0.37 1.75 0.44 2.72 0.00 -1.26 -4.62 107.32 105.98 1fqn s GLY 8 Ca 0.00 -1.20 0.17 0.00 0.00 0.00 0.00 44.72 43.69 1fqn s GLY 8 CO 0.00 -0.37 1.96 1.70 0.00 0.00 0.00 173.10 176.38 1fqn h LYS 9 N -1.93 0.00 0.00 2.90 1.63 -1.97 0.21 116.57 117.41 1fqn h LYS 9 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1fqn h LYS 9 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1fqn h LYS 9 CO 0.34 0.23 -0.95 0.72 -3.45 0.00 0.00 179.45 176.34 1fqn n HIS 10 N -4.08 0.04 -1.11 1.91 8.25 -1.26 -4.37 115.22 114.60 1fqn n HIS 10 Ca -0.02 0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1fqn n HIS 10 Cb 0.29 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.27 1fqn n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1fqn n ASN 11 N -1.61 0.49 -4.03 0.41 6.94 -1.18 -4.97 115.26 111.30 1fqn n ASN 11 Ca 0.04 -1.57 -0.30 0.00 -0.02 0.00 0.00 54.58 52.73 1fqn n ASN 11 Cb 0.36 -0.08 0.21 0.00 -2.36 0.00 0.00 39.78 37.90 1fqn n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1fqn s GLY 12 N -0.63 1.68 0.55 4.83 0.00 0.72 -1.47 107.32 113.01 1fqn s GLY 12 Ca 0.02 -1.05 0.50 0.00 0.00 0.00 0.00 44.72 44.20 1fqn s GLY 12 CO 0.00 -0.24 1.57 -2.55 0.00 0.00 0.00 173.10 171.88 1fqn h PRO 13 N -2.05 0.00 0.00 2.90 0.11 -1.83 0.83 132.00 131.96 1fqn h PRO 13 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1fqn h PRO 13 Cb 1.27 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1fqn h PRO 13 CO 0.38 0.00 -0.25 1.05 -0.21 0.00 0.00 178.00 178.97 1fqn h GLU 14 N 0.00 0.00 0.00 1.05 9.09 -1.93 -3.19 114.58 119.60 1fqn h GLU 14 Ca 0.95 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.36 1fqn h GLU 14 Cb 3.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.86 1fqn h GLU 14 CO -0.03 0.25 -1.33 0.72 0.05 0.00 0.00 179.01 178.66 1fqn n HIS 15 N -3.44 0.41 -0.35 2.06 8.25 0.28 -4.59 115.22 117.84 1fqn n HIS 15 Ca -0.00 0.12 0.23 0.00 -0.26 0.00 0.00 57.72 57.81 1fqn n HIS 15 Cb 0.43 -0.62 0.47 0.00 1.12 0.00 0.00 29.99 31.39 1fqn n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1fqn h TRP 16 N 0.00 0.84 -0.02 4.41 6.55 -1.53 -1.85 115.95 124.34 1fqn h TRP 16 Ca 0.00 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.88 1fqn h TRP 16 Cb 0.90 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1fqn h TRP 16 CO 0.00 -0.03 0.02 1.12 -1.05 0.00 0.00 178.44 178.50 1fqn h HIS 17 N 0.40 0.00 -0.56 0.49 2.07 -1.81 0.45 115.15 116.19 1fqn h HIS 17 Ca 0.67 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.17 1fqn h HIS 17 Cb 1.57 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.53 1fqn h HIS 17 CO -0.01 0.00 0.26 0.87 -3.07 0.00 0.00 177.93 175.98 1fqn h LYS 18 N 0.00 0.81 0.00 5.12 1.57 -1.68 -1.46 116.57 120.94 1fqn h LYS 18 Ca 0.01 -0.13 -0.26 0.00 -1.87 0.00 0.00 60.65 58.41 1fqn h LYS 18 Cb 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1fqn h LYS 18 CO -0.00 0.67 -1.66 -0.25 -0.57 0.00 0.00 179.45 177.64 1fqn n ASP 19 N -4.54 0.82 -3.65 0.86 9.92 -0.97 -4.58 116.55 114.40 1fqn n ASP 19 Ca 0.03 0.38 -0.28 0.00 -0.53 0.00 0.00 54.79 54.39 1fqn n ASP 19 Cb 0.13 0.07 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 1fqn n ASP 19 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1fqn s PHE 20 N -2.69 2.19 0.61 1.24 0.08 0.11 -4.97 117.98 114.55 1fqn s PHE 20 Ca -0.04 -2.70 0.19 0.00 0.12 0.00 0.00 56.93 54.49 1fqn s PHE 20 Cb 0.08 -1.80 1.04 0.00 -0.57 0.00 0.00 43.02 41.77 1fqn s PHE 20 CO 0.82 -0.72 1.57 -1.00 -0.10 0.00 0.00 175.22 175.80 1fqn h PRO 21 N 5.85 0.00 0.00 0.24 0.13 -1.49 -1.37 132.00 135.36 1fqn h PRO 21 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1fqn h PRO 21 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1fqn h PRO 21 CO 0.52 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.80 1fqn n ILE 22 N -2.69 1.20 0.31 -3.56 0.13 -1.26 -2.22 119.36 111.28 1fqn n ILE 22 Ca -0.01 0.33 0.19 0.00 -1.10 0.00 0.00 62.75 62.16 1fqn n ILE 22 Cb 0.57 -1.19 1.00 0.00 -0.84 0.00 0.00 39.64 39.19 1fqn n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fqn h ALA 23 N 2.32 1.28 -0.32 1.51 0.00 -1.54 0.88 119.26 123.40 1fqn h ALA 23 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fqn h ALA 23 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1fqn h ALA 23 CO 0.00 -0.17 0.01 1.63 0.00 0.00 0.00 179.25 180.72 1fqn n LYS 24 N -3.17 2.88 -0.64 0.00 5.02 -0.94 -4.94 118.16 116.37 1fqn n LYS 24 Ca -0.02 -2.92 -0.30 0.00 -2.02 0.00 0.00 58.31 53.05 1fqn n LYS 24 Cb 0.23 -1.88 0.27 0.00 -0.02 0.00 0.00 35.03 33.63 1fqn n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1fqn s GLY 25 N -1.93 1.48 0.00 0.72 0.00 0.31 -4.96 107.32 102.93 1fqn s GLY 25 Ca 0.44 -0.89 0.25 0.00 0.00 0.00 0.00 44.72 44.52 1fqn s GLY 25 CO 0.08 0.08 1.44 1.18 0.00 0.00 0.00 173.10 175.89 1fqn n GLU 26 N -5.33 0.14 -2.69 2.90 -0.58 -1.26 -4.41 120.64 109.41 1fqn n GLU 26 Ca 0.13 -0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 1fqn n GLU 26 Cb 0.60 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.98 1fqn n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1fqn n ARG 27 N -1.36 1.67 -3.25 3.49 1.74 -1.26 -4.72 116.66 112.98 1fqn n ARG 27 Ca 0.07 -3.59 -0.35 0.00 -0.77 0.00 0.00 57.85 53.21 1fqn n ARG 27 Cb 0.34 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 1fqn n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fqn s GLN 28 N -3.14 4.05 0.24 5.56 -1.52 -1.26 -2.58 119.66 121.01 1fqn s GLN 28 Ca 0.34 0.61 0.11 0.00 -1.95 0.00 0.00 55.36 54.47 1fqn s GLN 28 Cb 0.43 -2.80 -0.05 0.00 -0.22 0.00 0.00 33.01 30.37 1fqn s GLN 28 CO -0.03 0.38 -0.18 -1.12 -0.25 0.00 0.00 175.29 174.09 1fqn s SER 29 N -1.86 3.72 1.00 5.90 0.01 -1.26 -4.64 113.70 116.56 1fqn s SER 29 Ca 0.43 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 1fqn s SER 29 Cb -0.14 -0.39 0.13 0.00 0.21 0.00 0.00 66.02 65.83 1fqn s SER 29 CO 0.20 0.07 0.77 -0.81 0.41 0.00 0.00 173.24 173.87 1fqn n PRO 30 N -0.32 -0.75 -4.11 12.44 -0.04 -1.26 -4.57 135.00 136.40 1fqn n PRO 30 Ca -0.08 -1.19 -0.10 0.00 -0.04 0.00 0.00 63.50 62.08 1fqn n PRO 30 Cb 0.58 -0.79 -0.09 0.00 -0.04 0.00 0.00 33.50 33.16 1fqn n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fqn s VAL 31 N -2.68 0.07 0.02 0.52 -7.23 -1.26 -0.66 120.40 109.18 1fqn s VAL 31 Ca 0.44 -1.79 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 1fqn s VAL 31 Cb -0.01 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.76 1fqn s VAL 31 CO 0.31 -0.30 0.63 -0.62 -0.31 0.00 0.00 175.10 174.81 1fqn s ASP 32 N -3.06 7.05 -0.50 4.85 2.15 -1.26 -3.12 116.67 122.78 1fqn s ASP 32 Ca 0.26 1.25 -0.17 0.00 0.43 0.00 0.00 52.55 54.32 1fqn s ASP 32 Cb 0.06 -2.39 0.08 0.00 -0.30 0.00 0.00 42.92 40.37 1fqn s ASP 32 CO 0.04 0.11 0.51 -0.63 -0.17 0.00 0.00 175.17 175.03 1fqn s ILE 33 N -0.29 5.07 -0.62 4.11 1.01 0.57 -4.93 121.20 126.13 1fqn s ILE 33 Ca 0.33 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 1fqn s ILE 33 Cb -0.19 -4.24 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1fqn s ILE 33 CO 0.19 -0.74 0.98 -0.62 0.00 0.00 0.00 174.94 174.74 1fqn s ASP 34 N 2.85 6.24 0.52 3.58 3.68 -1.26 -0.94 116.67 131.34 1fqn s ASP 34 Ca 0.08 -0.67 0.29 0.00 2.13 0.00 0.00 52.55 54.38 1fqn s ASP 34 Cb -0.23 -2.44 1.41 0.00 -1.45 0.00 0.00 42.92 40.21 1fqn s ASP 34 CO 0.08 -1.38 1.89 0.74 0.13 0.00 0.00 175.17 176.63 1fqn h THR 35 N 6.00 0.58 -0.01 1.71 2.02 -1.95 0.29 112.91 121.54 1fqn h THR 35 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1fqn h THR 35 Cb 1.07 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1fqn h THR 35 CO 1.15 0.01 -0.06 1.41 0.37 0.00 0.00 175.52 178.40 1fqn n HIS 36 N -4.32 0.00 0.00 3.16 8.25 -1.26 -4.00 115.22 117.04 1fqn n HIS 36 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1fqn n HIS 36 Cb 0.90 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1fqn n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fqn n THR 37 N -0.32 0.00 -1.75 1.59 -2.24 -0.19 -5.04 114.28 106.33 1fqn n THR 37 Ca 0.18 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.56 1fqn n THR 37 Cb 0.30 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1fqn n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fqn n ALA 38 N -0.96 1.86 -2.82 6.98 0.00 0.83 -4.90 120.51 121.51 1fqn n ALA 38 Ca 0.00 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 1fqn n ALA 38 Cb 0.04 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.00 1fqn n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fqn s LYS 39 N -2.44 3.81 0.06 0.00 2.47 -0.25 -4.86 119.74 118.53 1fqn s LYS 39 Ca 0.62 -0.40 -0.31 0.00 -1.56 0.00 0.00 55.97 54.33 1fqn s LYS 39 Cb -0.46 -3.49 -0.07 0.00 -1.46 0.00 0.00 37.83 32.35 1fqn s LYS 39 CO 0.57 -0.18 1.41 -0.47 0.16 0.00 0.00 175.35 176.85 1fqn s TYR 40 N 1.66 3.02 -0.30 4.03 5.04 -1.26 0.34 117.35 129.89 1fqn s TYR 40 Ca 0.07 0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1fqn s TYR 40 Cb -0.15 -3.69 0.06 0.00 0.35 0.00 0.00 41.96 38.52 1fqn s TYR 40 CO 0.07 -2.51 -0.01 0.34 -1.34 0.00 0.00 175.55 172.10 1fqn s ASP 41 N 1.53 4.79 0.50 4.32 3.68 0.40 -4.84 116.67 127.05 1fqn s ASP 41 Ca 0.65 -1.42 0.34 0.00 2.13 0.00 0.00 52.55 54.25 1fqn s ASP 41 Cb -0.35 -1.67 1.78 0.00 -1.45 0.00 0.00 42.92 41.23 1fqn s ASP 41 CO 0.29 -0.27 2.04 1.55 0.13 0.00 0.00 175.17 178.90 1fqn h PRO 42 N 7.92 0.00 -0.42 4.34 0.13 -1.93 -2.73 132.00 139.31 1fqn h PRO 42 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1fqn h PRO 42 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1fqn h PRO 42 CO 0.52 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.16 1fqn n SER 43 N -2.73 2.78 -4.64 1.44 3.41 -1.26 -4.87 113.62 107.75 1fqn n SER 43 Ca -0.02 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.23 1fqn n SER 43 Cb 0.09 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1fqn n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fqn s LEU 44 N -1.25 4.00 1.02 1.04 1.43 -1.03 -5.02 118.68 118.87 1fqn s LEU 44 Ca 0.36 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 1fqn s LEU 44 Cb 0.20 -3.49 0.20 0.00 0.03 0.00 0.00 46.19 43.12 1fqn s LEU 44 CO 0.27 -0.79 1.09 -0.54 0.23 0.00 0.00 176.35 176.61 1fqn s LYS 45 N 3.44 0.25 0.44 1.70 1.02 -1.25 -4.97 119.74 120.38 1fqn s LYS 45 Ca 0.44 0.53 -0.21 0.00 0.02 0.00 0.00 55.97 56.75 1fqn s LYS 45 Cb -0.13 -1.71 -0.10 0.00 -0.52 0.00 0.00 37.83 35.36 1fqn s LYS 45 CO 0.12 -2.86 0.97 -2.14 -0.92 0.00 0.00 175.35 170.53 1fqn s PRO 46 N -4.92 4.12 0.36 -1.68 0.02 -1.26 -3.64 135.00 128.00 1fqn s PRO 46 Ca 0.66 1.19 -0.28 0.00 0.02 0.00 0.00 61.00 62.58 1fqn s PRO 46 Cb -0.19 -2.17 -0.11 0.00 0.02 0.00 0.00 34.50 32.05 1fqn s PRO 46 CO 0.58 -0.14 1.48 -0.51 -0.33 0.00 0.00 177.00 178.08 1fqn s LEU 47 N -3.25 4.33 -0.33 -5.54 1.43 -1.26 -1.42 118.68 112.64 1fqn s LEU 47 Ca 0.63 3.01 0.03 0.00 -1.03 0.00 0.00 54.13 56.77 1fqn s LEU 47 Cb -0.11 -3.66 0.09 0.00 0.03 0.00 0.00 46.19 42.54 1fqn s LEU 47 CO 0.15 -0.85 0.03 -0.55 0.23 0.00 0.00 176.35 175.36 1fqn s SER 48 N -0.12 4.73 -0.32 2.29 0.15 0.42 -4.84 113.70 116.01 1fqn s SER 48 Ca 0.53 -2.00 -0.10 0.00 0.70 0.00 0.00 55.95 55.08 1fqn s SER 48 Cb -0.46 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 1fqn s SER 48 CO 0.61 -0.35 0.17 -0.69 1.20 0.00 0.00 173.24 174.18 1fqn s VAL 49 N 0.95 4.70 -0.55 4.45 1.01 -1.26 -0.90 120.40 128.80 1fqn s VAL 49 Ca 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1fqn s VAL 49 Cb -0.19 -3.41 0.14 0.00 0.00 0.00 0.00 36.38 32.91 1fqn s VAL 49 CO -0.07 0.04 0.31 -0.44 0.00 0.00 0.00 175.10 174.94 1fqn s SER 50 N 1.63 4.55 -0.11 3.32 0.01 -0.22 -4.89 113.70 117.98 1fqn s SER 50 Ca 0.05 -3.01 0.15 0.00 1.31 0.00 0.00 55.95 54.45 1fqn s SER 50 Cb -0.17 -1.69 0.55 0.00 0.21 0.00 0.00 66.02 64.91 1fqn s SER 50 CO 0.07 -0.26 1.46 -1.22 0.41 0.00 0.00 173.24 173.70 1fqn n TYR 51 N 3.15 1.05 -0.13 2.43 4.01 -1.26 -1.60 117.16 124.81 1fqn n TYR 51 Ca 0.06 -0.68 -0.06 0.00 -0.16 0.00 0.00 57.90 57.06 1fqn n TYR 51 Cb 0.33 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1fqn n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1fqn h ASP 52 N 2.72 -0.86 -0.88 7.72 1.82 -1.91 -2.34 116.42 122.69 1fqn h ASP 52 Ca 0.00 0.18 -0.60 0.00 -0.39 0.00 0.00 57.03 56.22 1fqn h ASP 52 Cb 1.28 0.44 -0.32 0.00 0.68 0.00 0.00 39.33 41.40 1fqn h ASP 52 CO 0.18 -0.27 0.27 0.00 -1.61 0.00 0.00 179.24 177.81 1fqn n GLN 53 N -5.40 2.91 -1.82 0.28 1.13 -1.15 -5.03 117.38 108.30 1fqn n GLN 53 Ca 0.02 -3.55 -0.41 0.00 -1.94 0.00 0.00 57.00 51.12 1fqn n GLN 53 Cb 0.32 -2.25 -0.01 0.00 0.11 0.00 0.00 30.24 28.41 1fqn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fqn s ALA 54 N -3.70 3.60 -0.42 -1.58 0.00 -0.88 -4.62 121.76 114.17 1fqn s ALA 54 Ca 0.59 1.56 0.03 0.00 0.00 0.00 0.00 51.96 54.13 1fqn s ALA 54 Cb 0.47 -3.61 0.12 0.00 0.00 0.00 0.00 23.12 20.10 1fqn s ALA 54 CO 0.01 -1.02 0.17 0.99 0.00 0.00 0.00 175.76 175.92 1fqn s THR 55 N -0.90 1.98 0.51 0.00 2.01 -1.26 -4.90 115.64 113.09 1fqn s THR 55 Ca 0.55 -2.60 -0.19 0.00 0.31 0.00 0.00 61.69 59.76 1fqn s THR 55 Cb -0.46 -2.42 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 1fqn s THR 55 CO 0.60 -0.75 1.03 -0.94 -0.69 0.00 0.00 174.62 173.87 1fqn s SER 56 N 0.46 6.26 0.05 3.53 1.04 -1.26 -0.40 113.70 123.37 1fqn s SER 56 Ca 0.14 1.85 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 1fqn s SER 56 Cb -0.22 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 1fqn s SER 56 CO -0.06 -0.84 -0.04 0.18 0.98 0.00 0.00 173.24 173.47 1fqn n LEU 57 N -1.29 0.96 -3.81 2.42 4.77 0.35 -4.13 117.00 116.26 1fqn n LEU 57 Ca 0.09 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1fqn n LEU 57 Cb 0.53 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1fqn n LEU 57 CO 0.42 -0.65 0.05 -0.13 -1.33 0.00 0.00 177.39 175.75 1fqn s ARG 58 N -1.87 1.08 -0.04 3.23 0.52 -1.20 -1.01 118.95 119.65 1fqn s ARG 58 Ca -0.03 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.29 1fqn s ARG 58 Cb 0.00 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.87 1fqn s ARG 58 CO 0.04 -0.40 -0.19 -1.50 0.02 0.00 0.00 175.30 173.27 1fqn s ILE 59 N -3.88 2.60 0.07 1.52 2.07 -0.13 -1.03 121.20 122.42 1fqn s ILE 59 Ca 0.09 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.47 1fqn s ILE 59 Cb 0.03 -1.98 -0.03 0.00 0.13 0.00 0.00 42.46 40.61 1fqn s ILE 59 CO -0.07 0.58 -0.10 -0.22 -1.91 0.00 0.00 174.94 173.22 1fqn s LEU 60 N -0.57 2.31 -0.49 8.50 2.96 0.47 -0.16 118.68 131.70 1fqn s LEU 60 Ca 0.08 -0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1fqn s LEU 60 Cb -0.11 -0.30 0.13 0.00 0.50 0.00 0.00 46.19 46.41 1fqn s LEU 60 CO 0.01 -0.19 0.32 0.21 -1.32 0.00 0.00 176.35 175.38 1fqn s ASN 61 N -1.89 5.48 0.00 3.68 3.84 -0.57 0.21 114.94 125.69 1fqn s ASN 61 Ca -0.03 -2.16 0.27 0.00 0.21 0.00 0.00 52.86 51.15 1fqn s ASN 61 Cb -0.08 -1.92 1.55 0.00 -0.55 0.00 0.00 41.25 40.26 1fqn s ASN 61 CO 0.01 -0.57 1.96 -0.46 -2.79 0.00 0.00 177.10 175.25 1fqn n ASN 62 N 4.49 0.00 0.00 -4.21 0.23 -0.65 0.17 115.26 115.29 1fqn n ASN 62 Ca -0.02 -0.65 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 1fqn n ASN 62 Cb 0.41 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1fqn n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fqn n GLY 63 N 0.78 0.74 0.00 4.83 0.00 -1.26 -4.75 105.19 105.53 1fqn n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fqn n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fqn n HIS 64 N -2.00 0.00 -3.80 1.61 8.25 -1.26 -4.67 115.22 113.34 1fqn n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1fqn n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fqn n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fqn s ALA 65 N -1.87 -2.28 0.21 -1.41 0.00 -1.26 -4.87 121.76 110.27 1fqn s ALA 65 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1fqn s ALA 65 Cb 0.00 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1fqn s ALA 65 CO 0.00 -1.10 0.33 -0.59 0.00 0.00 0.00 175.76 174.41 1fqn s PHE 66 N -2.24 3.46 -0.04 0.00 -0.71 -1.26 -1.63 117.98 115.57 1fqn s PHE 66 Ca 0.21 0.03 -0.17 0.00 -1.04 0.00 0.00 56.93 55.97 1fqn s PHE 66 Cb 0.02 -1.61 0.03 0.00 -1.21 0.00 0.00 43.02 40.25 1fqn s PHE 66 CO -0.02 0.47 0.37 0.54 -1.34 0.00 0.00 175.22 175.24 1fqn s ASN 67 N -3.70 -0.29 -0.24 1.98 2.20 0.13 -3.30 114.94 111.71 1fqn s ASN 67 Ca 0.34 0.29 -0.08 0.00 -0.94 0.00 0.00 52.86 52.47 1fqn s ASN 67 Cb -0.10 0.43 -0.04 0.00 -2.00 0.00 0.00 41.25 39.54 1fqn s ASN 67 CO 0.29 -0.42 0.09 -0.69 -2.94 0.00 0.00 177.10 173.43 1fqn s VAL 68 N -1.06 4.62 -0.11 3.54 1.01 -0.24 -0.40 120.40 127.76 1fqn s VAL 68 Ca -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1fqn s VAL 68 Cb -0.04 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1fqn s VAL 68 CO 0.04 0.35 0.09 -0.70 0.00 0.00 0.00 175.10 174.88 1fqn s GLU 69 N 1.37 3.32 0.28 2.72 2.12 -0.20 -1.17 118.70 127.14 1fqn s GLU 69 Ca 0.06 -0.23 0.09 0.00 0.36 0.00 0.00 54.97 55.24 1fqn s GLU 69 Cb -0.15 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1fqn s GLU 69 CO 0.05 0.72 0.05 -0.06 -0.54 0.00 0.00 175.26 175.48 1fqn s PHE 70 N -0.89 2.74 -0.25 5.30 0.40 0.03 -0.50 117.98 124.80 1fqn s PHE 70 Ca 0.14 -0.25 -0.24 0.00 -0.60 0.00 0.00 56.93 55.98 1fqn s PHE 70 Cb -0.12 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1fqn s PHE 70 CO 0.03 0.55 0.78 0.34 0.70 0.00 0.00 175.22 177.62 1fqn s ASP 71 N -3.73 6.76 -0.19 1.36 -1.08 0.46 -4.77 116.67 115.48 1fqn s ASP 71 Ca 0.33 0.91 0.15 0.00 -0.52 0.00 0.00 52.55 53.42 1fqn s ASP 71 Cb -0.06 -2.41 0.42 0.00 -1.46 0.00 0.00 42.92 39.41 1fqn s ASP 71 CO 0.21 -0.50 1.30 -0.90 0.52 0.00 0.00 175.17 175.80 1fqn n ASP 72 N 5.98 2.70 0.21 -0.34 5.75 -1.26 -4.66 116.55 124.93 1fqn n ASP 72 Ca 0.04 -3.34 0.15 0.00 -0.01 0.00 0.00 54.79 51.63 1fqn n ASP 72 Cb 0.48 -0.52 0.70 0.00 -1.03 0.00 0.00 41.12 40.75 1fqn n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1fqn h SER 73 N 0.87 0.00 -5.23 -1.12 4.64 -1.95 -3.45 113.55 107.30 1fqn h SER 73 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1fqn h SER 73 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1fqn h SER 73 CO 0.14 0.00 0.07 0.00 -0.87 0.00 0.00 176.83 176.17 1fqn s GLN 74 N -3.62 2.08 -0.24 4.77 -2.07 -1.26 -5.06 119.66 114.26 1fqn s GLN 74 Ca -0.00 -1.57 -0.05 0.00 -1.82 0.00 0.00 55.36 51.92 1fqn s GLN 74 Cb 0.09 0.55 -0.16 0.00 -1.09 0.00 0.00 33.01 32.39 1fqn s GLN 74 CO 0.37 -0.93 2.63 -0.25 -1.32 0.00 0.00 175.29 175.79 1fqn n ASP 75 N -1.39 4.20 0.11 12.60 10.43 -1.26 -4.56 116.55 136.68 1fqn n ASP 75 Ca -0.04 -2.23 0.12 0.00 2.57 0.00 0.00 54.79 55.20 1fqn n ASP 75 Cb 0.61 -1.05 0.02 0.00 1.84 0.00 0.00 41.12 42.54 1fqn n ASP 75 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1fqn h LYS 76 N 4.32 0.00 -2.12 -1.24 1.57 -1.88 -3.42 116.57 113.80 1fqn h LYS 76 Ca 0.24 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.63 1fqn h LYS 76 Cb 0.88 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.86 1fqn h LYS 76 CO 0.57 0.00 -0.69 0.00 -0.57 0.00 0.00 179.45 178.76 1fqn s ALA 77 N -3.35 -0.25 0.23 3.86 0.00 -1.26 -2.95 121.76 118.05 1fqn s ALA 77 Ca 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1fqn s ALA 77 Cb 0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1fqn s ALA 77 CO 0.78 -1.97 -0.18 0.14 0.00 0.00 0.00 175.76 174.53 1fqn s VAL 78 N 1.74 2.11 -0.08 0.00 -7.23 -0.63 -0.99 120.40 115.33 1fqn s VAL 78 Ca 0.14 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1fqn s VAL 78 Cb -0.16 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1fqn s VAL 78 CO -0.14 -0.45 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.76 1fqn s LEU 79 N -3.29 2.26 0.30 1.32 2.96 -0.19 -1.06 118.68 120.98 1fqn s LEU 79 Ca 0.25 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1fqn s LEU 79 Cb -0.04 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1fqn s LEU 79 CO 0.11 0.23 0.35 -0.54 -1.32 0.00 0.00 176.35 175.18 1fqn s LYS 80 N -0.07 1.67 2.34 1.98 1.02 -0.08 -1.81 119.74 124.79 1fqn s LYS 80 Ca -0.05 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.20 1fqn s LYS 80 Cb -0.14 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1fqn s LYS 80 CO 0.04 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 1fqn n GLY 81 N -0.49 -0.84 7.00 -3.33 0.00 -1.26 -0.44 105.19 105.83 1fqn n GLY 81 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1fqn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqn n GLY 82 N 0.00 3.06 0.43 -0.02 0.00 -0.51 -1.35 105.19 106.80 1fqn n GLY 82 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1fqn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fqn n PRO 83 N 14.00 1.56 -3.36 1.61 -0.04 -1.26 -3.85 135.00 143.65 1fqn n PRO 83 Ca 0.00 -0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 62.24 1fqn n PRO 83 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1fqn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fqn s LEU 84 N -1.48 4.47 -0.14 1.53 1.43 -0.45 -5.08 118.68 118.95 1fqn s LEU 84 Ca 0.29 1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1fqn s LEU 84 Cb 0.15 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1fqn s LEU 84 CO 0.23 0.26 -0.05 -1.81 0.23 0.00 0.00 176.35 175.21 1fqn s ASP 85 N -1.23 4.74 0.00 2.29 1.01 -1.26 -4.27 116.67 117.95 1fqn s ASP 85 Ca 0.29 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1fqn s ASP 85 Cb -0.18 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1fqn s ASP 85 CO 0.17 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.36 1fqn n GLY 86 N 3.37 -2.03 3.63 0.21 0.00 -1.26 -4.95 105.19 104.15 1fqn n GLY 86 Ca -0.17 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1fqn n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqn s THR 87 N 0.00 3.96 -0.11 2.61 2.01 -1.26 -4.63 115.64 118.22 1fqn s THR 87 Ca 0.00 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1fqn s THR 87 Cb 0.00 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1fqn s THR 87 CO 0.00 0.56 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.05 1fqn s TYR 88 N -0.89 1.78 0.03 4.92 1.51 -0.75 -0.77 117.35 123.19 1fqn s TYR 88 Ca 0.14 -0.86 -0.19 0.00 -1.01 0.00 0.00 57.07 55.15 1fqn s TYR 88 Cb -0.11 -1.34 -0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1fqn s TYR 88 CO 0.03 -0.49 0.55 1.03 -1.11 0.00 0.00 175.55 175.56 1fqn s ARG 89 N 1.24 4.19 -0.01 -0.62 0.52 0.12 -1.02 118.95 123.37 1fqn s ARG 89 Ca -0.02 0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 55.56 1fqn s ARG 89 Cb -0.14 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 1fqn s ARG 89 CO -0.04 0.56 1.20 -1.17 0.02 0.00 0.00 175.30 175.87 1fqn s LEU 90 N -0.81 4.31 0.00 2.53 2.96 -0.16 -0.70 118.68 126.82 1fqn s LEU 90 Ca 0.28 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1fqn s LEU 90 Cb -0.19 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1fqn s LEU 90 CO 0.17 -0.54 0.00 0.00 -1.32 0.00 0.00 176.35 174.66 1fqn n ILE 91 N 4.37 0.00 -3.80 6.68 3.06 -0.61 -4.46 119.36 124.60 1fqn n ILE 91 Ca 0.10 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.23 1fqn n ILE 91 Cb 0.46 -0.54 -0.12 0.00 0.54 0.00 0.00 39.64 39.98 1fqn n ILE 91 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 1fqn s GLN 92 N -1.91 0.27 -0.25 9.51 -0.21 -1.17 -0.79 119.66 125.11 1fqn s GLN 92 Ca 0.00 0.25 -0.02 0.00 0.02 0.00 0.00 55.36 55.62 1fqn s GLN 92 Cb 0.00 0.13 0.03 0.00 1.00 0.00 0.00 33.01 34.16 1fqn s GLN 92 CO 0.00 -0.04 -0.06 0.42 -2.12 0.00 0.00 175.29 173.50 1fqn s ILE 93 N 0.02 2.89 0.13 1.08 1.01 -0.32 -0.61 121.20 125.41 1fqn s ILE 93 Ca -0.01 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.68 1fqn s ILE 93 Cb -0.02 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1fqn s ILE 93 CO 0.00 0.18 -0.07 -1.00 0.00 0.00 0.00 174.94 174.06 1fqn s HIS 94 N 1.32 2.77 -0.05 3.97 3.76 -0.51 -1.08 115.29 125.47 1fqn s HIS 94 Ca -0.00 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 54.81 1fqn s HIS 94 Cb -0.17 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 1fqn s HIS 94 CO -0.04 0.47 -0.23 1.41 -0.85 0.00 0.00 174.74 175.50 1fqn s MET 95 N -2.51 2.25 -0.11 1.40 1.75 -1.21 -0.79 119.30 120.08 1fqn s MET 95 Ca 0.24 -0.81 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 1fqn s MET 95 Cb -0.10 -1.95 -0.01 0.00 2.84 0.00 0.00 34.83 35.61 1fqn s MET 95 CO 0.16 0.36 -0.19 -1.01 -0.65 0.00 0.00 175.02 173.69 1fqn s HIS 96 N -0.16 2.68 0.05 4.11 3.76 0.14 -4.52 115.29 121.35 1fqn s HIS 96 Ca -0.02 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1fqn s HIS 96 Cb -0.12 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1fqn s HIS 96 CO 0.03 -0.28 -0.05 0.54 -0.85 0.00 0.00 174.74 174.12 1fqn s VAL 97 N 0.27 0.38 0.57 -0.90 0.11 -1.25 -0.34 120.40 119.25 1fqn s VAL 97 Ca -0.13 -1.33 0.09 0.00 -2.93 0.00 0.00 61.98 57.67 1fqn s VAL 97 Cb -0.16 -0.88 0.10 0.00 -1.53 0.00 0.00 36.38 33.90 1fqn s VAL 97 CO 0.07 -0.63 0.79 0.61 -3.33 0.00 0.00 175.10 172.61 1fqn n GLY 98 N 0.96 1.86 0.09 6.54 0.00 -1.05 0.39 105.19 113.97 1fqn n GLY 98 Ca -0.19 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.74 1fqn n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fqn h SER 99 N 0.04 0.00 -5.09 1.61 4.64 -1.89 -3.37 113.55 109.48 1fqn h SER 99 Ca -0.27 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 1fqn h SER 99 Cb 1.20 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 1fqn h SER 99 CO 0.37 0.07 -0.10 -1.48 -0.87 0.00 0.00 176.83 174.83 1fqn s LEU 100 N -4.66 0.48 0.37 5.97 0.05 -1.26 -5.06 118.68 114.56 1fqn s LEU 100 Ca 0.04 -0.40 0.20 0.00 0.05 0.00 0.00 54.13 54.02 1fqn s LEU 100 Cb 0.12 1.77 1.26 0.00 -2.05 0.00 0.00 46.19 47.29 1fqn s LEU 100 CO 0.75 -0.87 1.62 0.44 -0.55 0.00 0.00 176.35 177.73 1fqn h ASP 101 N 2.39 0.39 0.02 1.48 3.32 -1.92 -2.43 116.42 119.67 1fqn h ASP 101 Ca -0.33 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1fqn h ASP 101 Cb 1.25 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.00 1fqn h ASP 101 CO 0.47 -0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1fqn n GLY 102 N -1.30 -0.54 3.49 2.75 0.00 -1.26 -3.50 105.19 104.82 1fqn n GLY 102 Ca 0.36 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1fqn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fqn s GLN 103 N -2.04 1.33 0.00 1.61 -2.07 -0.91 -4.39 119.66 113.18 1fqn s GLN 103 Ca 0.24 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 1fqn s GLN 103 Cb 0.11 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1fqn s GLN 103 CO 0.20 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 1fqn n GLY 104 N -0.33 2.24 3.86 2.60 0.00 -0.96 -3.15 105.19 109.46 1fqn n GLY 104 Ca -0.11 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1fqn n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fqn s SER 105 N 0.00 6.06 -0.21 1.61 1.04 -0.07 -3.74 113.70 118.39 1fqn s SER 105 Ca 0.00 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 57.67 1fqn s SER 105 Cb 0.00 -2.43 -0.19 0.00 0.10 0.00 0.00 66.02 63.50 1fqn s SER 105 CO 0.00 -0.98 0.16 -0.62 0.98 0.00 0.00 173.24 172.78 1fqn n GLU 106 N -2.82 0.60 -2.57 4.02 1.02 -1.26 -4.82 120.64 114.81 1fqn n GLU 106 Ca 0.06 0.49 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 1fqn n GLU 106 Cb 0.54 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1fqn n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1fqn s HIS 107 N -2.41 3.40 0.12 -0.32 3.76 -1.26 -4.33 115.29 114.25 1fqn s HIS 107 Ca -0.29 1.50 0.04 0.00 -0.15 0.00 0.00 55.06 56.15 1fqn s HIS 107 Cb 0.07 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1fqn s HIS 107 CO 0.60 -0.26 -0.10 0.95 -0.85 0.00 0.00 174.74 175.08 1fqn s THR 108 N -2.45 0.99 -0.23 1.30 -4.23 -1.18 -4.67 115.64 105.16 1fqn s THR 108 Ca 0.60 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1fqn s THR 108 Cb -0.10 -1.59 0.05 0.00 1.34 0.00 0.00 72.50 72.20 1fqn s THR 108 CO 0.25 -0.68 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.88 1fqn s VAL 109 N -2.96 1.71 -1.41 2.29 1.01 -0.90 -0.31 120.40 119.82 1fqn s VAL 109 Ca 0.11 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1fqn s VAL 109 Cb 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1fqn s VAL 109 CO -0.01 -0.00 0.95 0.47 0.00 0.00 0.00 175.10 176.51 1fqn n ASP 110 N 4.62 -3.92 0.00 3.32 8.00 -0.11 -1.39 116.55 127.07 1fqn n ASP 110 Ca -0.13 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1fqn n ASP 110 Cb 0.44 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 1fqn n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fqn n LYS 111 N -4.60 0.00 -2.48 -1.24 4.76 -1.26 -5.00 118.16 108.35 1fqn n LYS 111 Ca -0.08 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 1fqn n LYS 111 Cb 0.58 -2.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.09 1fqn n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1fqn s LYS 112 N -0.07 4.47 -0.22 1.97 2.20 -0.49 -4.99 119.74 122.62 1fqn s LYS 112 Ca 0.00 1.71 -0.10 0.00 -0.36 0.00 0.00 55.97 57.22 1fqn s LYS 112 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1fqn s LYS 112 CO 0.00 -0.19 0.14 0.15 -0.36 0.00 0.00 175.35 175.09 1fqn s LYS 113 N 0.92 4.13 0.73 4.03 1.02 -1.26 -2.11 119.74 127.20 1fqn s LYS 113 Ca 0.57 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 1fqn s LYS 113 Cb -0.28 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1fqn s LYS 113 CO 0.30 0.20 1.12 0.71 -0.92 0.00 0.00 175.35 176.75 1fqn s TYR 114 N 0.66 3.22 0.52 3.18 2.02 -1.26 -4.23 117.35 121.46 1fqn s TYR 114 Ca 0.08 0.96 0.25 0.00 -0.37 0.00 0.00 57.07 57.99 1fqn s TYR 114 Cb -0.12 -3.19 1.55 0.00 -0.40 0.00 0.00 41.96 39.80 1fqn s TYR 114 CO 0.01 -1.34 2.16 0.00 -1.57 0.00 0.00 175.55 174.81 1fqn h ALA 115 N -0.76 1.57 -1.97 3.71 0.00 -1.37 -0.05 119.26 120.39 1fqn h ALA 115 Ca -0.45 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 54.64 1fqn h ALA 115 Cb 1.27 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1fqn h ALA 115 CO 0.64 0.06 0.62 0.00 0.00 0.00 0.00 179.25 180.58 1fqn s ALA 116 N -4.61 -1.90 -0.05 0.00 0.00 -1.20 -2.52 121.76 111.48 1fqn s ALA 116 Ca -0.04 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 1fqn s ALA 116 Cb 0.15 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1fqn s ALA 116 CO 0.59 -0.99 0.11 -2.00 0.00 0.00 0.00 175.76 173.48 1fqn s GLU 117 N -2.92 0.08 -0.08 0.00 2.12 0.54 -0.92 118.70 117.52 1fqn s GLU 117 Ca 0.12 0.26 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 1fqn s GLU 117 Cb 0.01 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1fqn s GLU 117 CO -0.01 -0.11 0.09 -0.51 -0.54 0.00 0.00 175.26 174.18 1fqn s LEU 118 N 0.74 4.06 -0.26 2.70 1.02 -0.29 0.27 118.68 126.91 1fqn s LEU 118 Ca -0.06 0.31 0.01 0.00 0.02 0.00 0.00 54.13 54.41 1fqn s LEU 118 Cb -0.08 -2.07 0.08 0.00 0.02 0.00 0.00 46.19 44.14 1fqn s LEU 118 CO -0.03 0.37 0.00 -1.00 0.02 0.00 0.00 176.35 175.71 1fqn s HIS 119 N -1.04 2.36 -0.54 0.29 3.76 0.03 -1.30 115.29 118.86 1fqn s HIS 119 Ca 0.17 -1.88 -0.18 0.00 -0.15 0.00 0.00 55.06 53.01 1fqn s HIS 119 Cb -0.12 -1.78 0.09 0.00 1.11 0.00 0.00 32.58 31.88 1fqn s HIS 119 CO 0.06 -0.81 0.60 -0.51 -0.85 0.00 0.00 174.74 173.23 1fqn s LEU 120 N 1.40 5.42 -0.25 0.89 1.02 0.24 -1.43 118.68 125.97 1fqn s LEU 120 Ca 0.01 -1.31 -0.22 0.00 0.02 0.00 0.00 54.13 52.63 1fqn s LEU 120 Cb -0.18 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.70 1fqn s LEU 120 CO -0.11 -0.94 0.68 -0.69 0.02 0.00 0.00 176.35 175.32 1fqn s VAL 121 N 2.34 4.95 0.07 -1.59 1.01 0.22 -0.52 120.40 126.88 1fqn s VAL 121 Ca 0.10 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.42 1fqn s VAL 121 Cb -0.24 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1fqn s VAL 121 CO 0.08 0.01 -0.22 -1.00 0.00 0.00 0.00 175.10 173.96 1fqn s HIS 122 N 2.54 1.92 0.00 5.22 3.76 -0.35 -1.57 115.29 126.81 1fqn s HIS 122 Ca 0.29 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1fqn s HIS 122 Cb -0.15 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.40 1fqn s HIS 122 CO 0.08 0.15 -0.25 1.67 -0.85 0.00 0.00 174.74 175.55 1fqn s TRP 123 N -0.93 2.22 -0.13 1.40 1.48 0.12 -0.55 118.94 122.55 1fqn s TRP 123 Ca 0.08 -0.41 -0.29 0.00 -1.06 0.00 0.00 56.10 54.42 1fqn s TRP 123 Cb -0.09 -1.39 -0.06 0.00 -1.16 0.00 0.00 33.47 30.76 1fqn s TRP 123 CO 0.03 0.01 2.13 1.21 -4.06 0.00 0.00 176.95 176.27 1fqn s ASN 124 N -0.80 5.80 0.48 -2.66 3.84 0.18 -0.70 114.94 121.08 1fqn s ASN 124 Ca 0.10 2.15 0.30 0.00 0.21 0.00 0.00 52.86 55.62 1fqn s ASN 124 Cb -0.10 -2.52 1.64 0.00 -0.55 0.00 0.00 41.25 39.73 1fqn s ASN 124 CO 0.00 -1.65 1.91 0.71 -2.79 0.00 0.00 177.10 175.29 1fqn h THR 125 N 6.62 0.00 0.00 -5.21 1.35 -1.29 -0.80 112.91 113.59 1fqn h THR 125 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1fqn h THR 125 Cb 1.24 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1fqn h THR 125 CO 0.96 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.52 1fqn n LYS 127 N -2.60 0.09 0.00 4.72 5.02 -1.26 -2.68 118.16 121.45 1fqn n LYS 127 Ca -0.02 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1fqn n LYS 127 Cb 0.11 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.83 1fqn n LYS 127 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1fqn n TYR 128 N -1.43 0.00 0.00 2.13 4.01 -0.30 -4.98 117.16 116.58 1fqn n TYR 128 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1fqn n TYR 128 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1fqn n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fqn n GLY 129 N 1.31 1.91 3.82 2.72 0.00 -1.09 -4.51 105.19 109.35 1fqn n GLY 129 Ca 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1fqn n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fqn s ASP 130 N 0.00 -0.16 0.11 1.61 1.47 -1.26 -5.06 116.67 113.38 1fqn s ASP 130 Ca 0.00 -0.68 -0.28 0.00 1.18 0.00 0.00 52.55 52.76 1fqn s ASP 130 Cb 0.00 0.67 -0.10 0.00 -0.34 0.00 0.00 42.92 43.16 1fqn s ASP 130 CO 0.00 -1.28 1.63 0.15 0.68 0.00 0.00 175.17 176.35 1fqn h PHE 131 N 2.00 -0.81 -0.80 2.11 3.57 -1.94 0.20 116.94 121.26 1fqn h PHE 131 Ca -0.24 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.40 1fqn h PHE 131 Cb 1.24 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 40.23 1fqn h PHE 131 CO 0.71 -0.41 0.40 0.78 -2.23 0.00 0.00 178.31 177.56 1fqn h GLY 132 N -0.56 1.27 1.11 2.40 0.00 -1.97 -1.27 103.07 104.04 1fqn h GLY 132 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 1fqn h GLY 132 CO -0.14 -0.01 -0.23 1.70 0.00 0.00 0.00 176.54 177.87 1fqn h LYS 133 N 0.61 0.99 -0.67 4.80 3.64 -1.79 -3.26 116.57 120.89 1fqn h LYS 133 Ca 0.42 -0.43 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1fqn h LYS 133 Cb 0.56 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1fqn h LYS 133 CO -0.34 1.11 0.24 0.00 -2.27 0.00 0.00 179.45 178.20 1fqn h ALA 134 N 0.85 1.17 0.00 5.00 0.00 0.48 -2.75 119.26 124.01 1fqn h ALA 134 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fqn h ALA 134 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fqn h ALA 134 CO 0.07 0.59 0.00 1.33 0.00 0.00 0.00 179.25 181.24 1fqn n VAL 135 N -4.29 1.42 1.10 0.00 0.24 -0.60 -0.96 118.33 115.23 1fqn n VAL 135 Ca 0.06 0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.83 1fqn n VAL 135 Cb 0.19 -1.23 0.27 0.00 -1.47 0.00 0.00 33.84 31.61 1fqn n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fqn n GLN 136 N -1.47 0.38 -4.12 7.34 6.02 -1.04 -4.62 117.38 119.87 1fqn n GLN 136 Ca 0.02 -0.23 -0.32 0.00 -0.01 0.00 0.00 57.00 56.46 1fqn n GLN 136 Cb 0.08 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 1fqn n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1fqn s GLN 137 N -2.78 2.92 0.48 -1.09 -1.52 -0.13 -5.00 119.66 112.53 1fqn s GLN 137 Ca 0.16 -0.60 0.23 0.00 -1.95 0.00 0.00 55.36 53.21 1fqn s GLN 137 Cb 0.18 -2.76 1.21 0.00 -0.22 0.00 0.00 33.01 31.42 1fqn s GLN 137 CO 0.63 0.61 1.98 -1.35 -0.25 0.00 0.00 175.29 176.91 1fqn h PRO 138 N 3.81 0.00 -0.44 2.91 0.11 -1.85 -2.21 132.00 134.33 1fqn h PRO 138 Ca -0.48 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 1fqn h PRO 138 Cb 1.17 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 1fqn h PRO 138 CO 0.63 0.19 -0.38 -0.40 -0.21 0.00 0.00 178.00 177.82 1fqn n ASP 139 N -3.72 3.51 0.14 -2.05 5.75 -1.26 -3.83 116.55 115.09 1fqn n ASP 139 Ca -0.02 -3.81 0.05 0.00 -0.01 0.00 0.00 54.79 51.01 1fqn n ASP 139 Cb 0.30 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.90 1fqn n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1fqn h GLY 140 N 1.49 0.00 -3.33 6.12 0.00 -1.16 -3.43 103.07 102.75 1fqn h GLY 140 Ca 0.24 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.06 1fqn h GLY 140 CO 0.51 0.00 -0.78 1.08 0.00 0.00 0.00 176.54 177.35 1fqn s LEU 141 N -6.20 2.43 -0.23 3.11 1.43 -0.33 0.48 118.68 119.39 1fqn s LEU 141 Ca 0.03 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1fqn s LEU 141 Cb 0.07 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.55 1fqn s LEU 141 CO 0.74 -0.04 0.02 0.00 0.23 0.00 0.00 176.35 177.30 1fqn s ALA 142 N -2.04 1.36 -0.23 4.21 0.00 0.29 -0.53 121.76 124.83 1fqn s ALA 142 Ca 0.15 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1fqn s ALA 142 Cb -0.06 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1fqn s ALA 142 CO 0.06 -1.27 0.05 0.08 0.00 0.00 0.00 175.76 174.68 1fqn s VAL 143 N 1.69 4.27 -0.34 0.00 1.01 -0.98 -1.22 120.40 124.84 1fqn s VAL 143 Ca -0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1fqn s VAL 143 Cb -0.18 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1fqn s VAL 143 CO -0.10 0.38 0.56 -0.22 0.00 0.00 0.00 175.10 175.71 1fqn s LEU 144 N 1.27 4.27 -0.22 3.92 2.96 0.32 -1.24 118.68 129.95 1fqn s LEU 144 Ca 0.04 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1fqn s LEU 144 Cb -0.15 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1fqn s LEU 144 CO 0.03 -0.49 0.18 -0.83 -1.32 0.00 0.00 176.35 173.92 1fqn s GLY 145 N 1.73 2.02 -0.15 7.98 0.00 -0.03 -0.60 107.32 118.28 1fqn s GLY 145 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1fqn s GLY 145 CO 0.13 0.37 -0.12 -0.42 0.00 0.00 0.00 173.10 173.06 1fqn s ILE 146 N 0.89 1.46 0.55 0.90 1.01 -0.42 -0.94 121.20 124.66 1fqn s ILE 146 Ca 0.09 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1fqn s ILE 146 Cb -0.13 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 1fqn s ILE 146 CO 0.03 0.40 1.02 -0.36 0.00 0.00 0.00 174.94 176.04 1fqn s PHE 147 N 1.53 3.22 -0.08 3.97 0.08 -1.26 -1.14 117.98 124.29 1fqn s PHE 147 Ca 0.04 1.49 0.04 0.00 0.12 0.00 0.00 56.93 58.63 1fqn s PHE 147 Cb -0.13 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1fqn s PHE 147 CO -0.10 -0.75 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.53 1fqn s LEU 148 N -4.28 2.15 -0.02 -0.37 1.02 -0.10 -0.35 118.68 116.73 1fqn s LEU 148 Ca 0.61 -0.51 0.05 0.00 0.02 0.00 0.00 54.13 54.30 1fqn s LEU 148 Cb -0.13 -1.41 -0.01 0.00 0.02 0.00 0.00 46.19 44.66 1fqn s LEU 148 CO 0.34 0.20 -0.17 -0.75 0.02 0.00 0.00 176.35 175.99 1fqn s LYS 149 N 0.12 1.51 0.22 1.70 2.20 -0.17 -1.71 119.74 123.60 1fqn s LYS 149 Ca -0.12 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 1fqn s LYS 149 Cb -0.16 -1.39 -0.11 0.00 -1.51 0.00 0.00 37.83 34.66 1fqn s LYS 149 CO 0.06 0.31 1.58 0.08 -0.36 0.00 0.00 175.35 177.02 1fqn s VAL 150 N -0.22 2.38 0.00 4.02 1.01 -1.25 -0.64 120.40 125.70 1fqn s VAL 150 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1fqn s VAL 150 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1fqn s VAL 150 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1fqn n GLY 151 N 3.07 1.35 3.82 4.51 0.00 0.11 -4.74 105.19 113.31 1fqn n GLY 151 Ca 0.11 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1fqn n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fqn s SER 152 N 2.00 6.52 0.30 1.61 1.04 -1.26 -3.60 113.70 120.31 1fqn s SER 152 Ca 0.00 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 57.83 1fqn s SER 152 Cb 0.00 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.47 1fqn s SER 152 CO 0.00 -0.65 1.44 0.00 0.98 0.00 0.00 173.24 175.01 1fqn n ALA 153 N -1.31 1.73 -2.51 5.32 0.00 -1.26 -3.22 120.51 119.27 1fqn n ALA 153 Ca 0.07 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1fqn n ALA 153 Cb 0.54 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1fqn n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fqn s LYS 154 N -1.03 3.30 0.29 0.00 2.47 -1.26 -4.89 119.74 118.61 1fqn s LYS 154 Ca 0.62 -0.79 0.03 0.00 -1.56 0.00 0.00 55.97 54.27 1fqn s LYS 154 Cb -0.56 -3.87 0.71 0.00 -1.46 0.00 0.00 37.83 32.64 1fqn s LYS 154 CO 0.54 -0.56 1.68 -1.35 0.16 0.00 0.00 175.35 175.82 1fqn h PRO 155 N 8.54 0.31 -0.79 4.03 0.11 -1.93 -1.39 132.00 140.87 1fqn h PRO 155 Ca -0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1fqn h PRO 155 Cb 1.14 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1fqn h PRO 155 CO 0.67 0.20 0.36 0.78 -0.21 0.00 0.00 178.00 179.80 1fqn h GLY 156 N 0.32 1.23 1.76 -0.55 0.00 -1.94 -2.12 103.07 101.78 1fqn h GLY 156 Ca 0.55 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1fqn h GLY 156 CO -0.57 0.60 -0.72 1.41 0.00 0.00 0.00 176.54 177.25 1fqn h LEU 157 N 1.13 0.28 -1.56 3.11 3.38 -1.52 -3.07 115.31 117.06 1fqn h LEU 157 Ca 0.27 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.21 1fqn h LEU 157 Cb 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1fqn h LEU 157 CO -0.03 0.91 0.52 -0.61 0.09 0.00 0.00 178.44 179.32 1fqn h GLN 158 N 0.15 0.41 -0.93 1.13 5.75 -0.63 0.23 115.11 121.23 1fqn h GLN 158 Ca -0.02 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1fqn h GLN 158 Cb 1.28 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.69 1fqn h GLN 158 CO 0.11 0.27 0.61 0.87 -2.65 0.00 0.00 178.83 178.04 1fqn h LYS 159 N 0.42 1.17 -0.06 1.69 6.56 -1.42 -1.03 116.57 123.89 1fqn h LYS 159 Ca 0.39 -0.07 -0.14 0.00 -1.06 0.00 0.00 60.65 59.77 1fqn h LYS 159 Cb 0.91 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1fqn h LYS 159 CO -0.13 0.77 -0.51 0.28 -2.06 0.00 0.00 179.45 177.80 1fqn h VAL 160 N 1.20 1.39 -0.70 0.50 2.07 -0.88 -3.30 116.25 116.53 1fqn h VAL 160 Ca 0.36 -1.90 0.13 0.00 0.82 0.00 0.00 66.70 66.11 1fqn h VAL 160 Cb -0.05 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 1fqn h VAL 160 CO -0.10 0.56 0.24 0.58 0.02 0.00 0.00 177.57 178.87 1fqn h VAL 161 N 0.01 0.66 0.00 2.57 2.07 -0.16 -0.98 116.25 120.43 1fqn h VAL 161 Ca -0.05 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1fqn h VAL 161 Cb 1.18 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1fqn h VAL 161 CO 0.10 0.07 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 1fqn h ASP 162 N 0.39 0.00 0.00 0.57 3.32 -1.29 -2.64 116.42 116.77 1fqn h ASP 162 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1fqn h ASP 162 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1fqn h ASP 162 CO -0.40 0.01 -1.04 0.55 -1.72 0.00 0.00 179.24 176.64 1fqn n VAL 163 N -3.45 0.00 -0.34 -1.35 3.14 -0.42 -4.68 118.33 111.24 1fqn n VAL 163 Ca -0.03 -0.14 0.21 0.00 -2.96 0.00 0.00 64.34 61.42 1fqn n VAL 163 Cb 0.09 0.83 0.45 0.00 -1.06 0.00 0.00 33.84 34.14 1fqn n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1fqn h LEU 164 N 0.00 0.57 -1.08 6.55 3.38 -1.05 -0.24 115.31 123.44 1fqn h LEU 164 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1fqn h LEU 164 Cb 0.51 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fqn h LEU 164 CO 0.00 0.04 0.00 0.44 0.09 0.00 0.00 178.44 179.01 1fqn h ASP 165 N 0.46 0.00 1.68 -0.43 5.19 -1.83 -2.30 116.42 119.19 1fqn h ASP 165 Ca 0.66 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.07 1fqn h ASP 165 Cb 1.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.96 1fqn h ASP 165 CO -0.45 0.00 -0.03 0.28 -3.12 0.00 0.00 179.24 175.93 1fqn h SER 166 N 0.00 0.00 -0.51 6.45 0.02 -1.38 -3.28 113.55 114.86 1fqn h SER 166 Ca 0.00 -0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.58 1fqn h SER 166 Cb 0.38 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.55 1fqn h SER 166 CO 0.00 0.00 -0.88 2.30 -1.14 0.00 0.00 176.83 177.11 1fqn n ILE 167 N -2.62 1.95 -0.26 3.27 -5.35 -0.88 -4.51 119.36 110.95 1fqn n ILE 167 Ca 0.05 -3.49 0.03 0.00 -0.27 0.00 0.00 62.75 59.07 1fqn n ILE 167 Cb 0.47 -0.18 0.16 0.00 -1.74 0.00 0.00 39.64 38.36 1fqn n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1fqn h LYS 168 N 2.06 0.60 -6.25 6.28 3.64 -1.58 -3.43 116.57 117.90 1fqn h LYS 168 Ca 0.13 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.89 1fqn h LYS 168 Cb 1.42 -0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.99 1fqn h LYS 168 CO 0.45 0.40 -0.69 0.95 -2.27 0.00 0.00 179.45 178.28 1fqn s THR 169 N -6.03 3.10 0.09 1.00 -4.23 -1.26 -0.28 115.64 108.03 1fqn s THR 169 Ca -0.12 -2.03 -0.36 0.00 -1.18 0.00 0.00 61.69 58.00 1fqn s THR 169 Cb 0.19 -2.63 -0.16 0.00 1.34 0.00 0.00 72.50 71.24 1fqn s THR 169 CO 0.77 -0.34 1.41 1.17 -0.54 0.00 0.00 174.62 177.09 1fqn n LYS 170 N -0.66 1.37 0.00 3.99 4.81 -0.48 -1.84 118.16 125.35 1fqn n LYS 170 Ca -0.07 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1fqn n LYS 170 Cb 0.59 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1fqn n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fqn n GLY 171 N 2.77 3.32 3.76 3.14 0.00 0.13 -4.61 105.19 113.70 1fqn n GLY 171 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1fqn n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqn s LYS 172 N -0.68 4.53 0.14 1.61 1.02 -0.77 -4.87 119.74 120.72 1fqn s LYS 172 Ca 0.00 1.70 -0.06 0.00 0.02 0.00 0.00 55.97 57.63 1fqn s LYS 172 Cb 0.00 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1fqn s LYS 172 CO 0.00 0.14 0.20 -1.54 -0.92 0.00 0.00 175.35 173.22 1fqn s SER 173 N -1.09 0.14 0.01 2.83 1.04 -1.26 -1.50 113.70 113.88 1fqn s SER 173 Ca 0.48 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 1fqn s SER 173 Cb -0.29 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1fqn s SER 173 CO 0.37 -0.81 0.34 0.00 0.98 0.00 0.00 173.24 174.11 1fqn s ALA 174 N -3.97 -0.83 0.31 5.32 0.00 0.77 -4.91 121.76 118.45 1fqn s ALA 174 Ca 0.17 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1fqn s ALA 174 Cb 0.05 0.20 -0.12 0.00 0.00 0.00 0.00 23.12 23.24 1fqn s ALA 174 CO -0.01 -0.35 1.36 -3.47 0.00 0.00 0.00 175.76 173.29 1fqn n ASP 175 N 0.89 2.91 -2.78 0.00 -0.08 -1.26 -0.96 116.55 115.27 1fqn n ASP 175 Ca -0.20 1.19 -0.02 0.00 -1.51 0.00 0.00 54.79 54.25 1fqn n ASP 175 Cb 0.58 -1.49 0.06 0.00 2.34 0.00 0.00 41.12 42.61 1fqn n ASP 175 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1fqn n PHE 176 N 0.94 0.69 -1.36 -0.67 7.35 -0.18 -4.68 117.46 119.56 1fqn n PHE 176 Ca 0.07 -2.19 -0.30 0.00 -0.76 0.00 0.00 57.45 54.27 1fqn n PHE 176 Cb 0.35 0.03 0.11 0.00 0.35 0.00 0.00 39.48 40.33 1fqn n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1fqn s THR 177 N -3.06 2.89 -1.76 -2.13 -4.23 -1.24 -3.97 115.64 102.14 1fqn s THR 177 Ca 0.25 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1fqn s THR 177 Cb 0.36 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1fqn s THR 177 CO -0.04 -0.38 0.00 0.59 -0.54 0.00 0.00 174.62 174.25 1fqn n ASN 178 N -3.66 -5.81 -4.65 3.99 3.02 -1.26 -4.96 115.26 101.93 1fqn n ASN 178 Ca 0.07 -0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1fqn n ASN 178 Cb 0.55 -4.83 -0.08 0.00 -0.61 0.00 0.00 39.78 34.81 1fqn n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fqn s PHE 179 N -3.01 3.33 -0.48 3.10 5.36 -1.26 -5.05 117.98 119.97 1fqn s PHE 179 Ca 0.00 0.50 -0.18 0.00 -0.96 0.00 0.00 56.93 56.28 1fqn s PHE 179 Cb 0.00 -2.49 0.05 0.00 -0.34 0.00 0.00 43.02 40.25 1fqn s PHE 179 CO 0.00 -0.05 0.55 0.34 -1.46 0.00 0.00 175.22 174.60 1fqn s ASP 180 N 1.18 6.21 0.00 6.13 -1.08 -1.26 -4.42 116.67 123.43 1fqn s ASP 180 Ca 0.16 -0.93 0.13 0.00 -0.52 0.00 0.00 52.55 51.38 1fqn s ASP 180 Cb -0.15 -2.26 0.67 0.00 -1.46 0.00 0.00 42.92 39.72 1fqn s ASP 180 CO 0.08 -0.78 1.30 -0.81 0.52 0.00 0.00 175.17 175.47 1fqn n PRO 181 N 5.88 0.22 0.25 4.34 -0.04 -1.26 -2.57 135.00 141.82 1fqn n PRO 181 Ca -0.08 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1fqn n PRO 181 Cb 0.45 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.06 1fqn n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fqn h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -2.04 114.38 114.04 1fqn h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fqn h ARG 182 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1fqn h ARG 182 CO 0.00 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1fqn n GLY 183 N -0.29 -0.86 1.21 0.04 0.00 -1.06 -2.43 105.19 101.80 1fqn n GLY 183 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1fqn n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fqn n LEU 184 N -1.27 3.60 -4.89 0.99 4.77 -0.76 -3.68 117.00 115.75 1fqn n LEU 184 Ca 0.09 -1.60 -0.33 0.00 -0.03 0.00 0.00 56.01 54.14 1fqn n LEU 184 Cb 0.14 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1fqn n LEU 184 CO 0.13 0.80 -0.17 -0.76 -1.33 0.00 0.00 177.39 176.06 1fqn s LEU 185 N -1.40 4.30 0.90 2.23 1.43 -1.02 -4.92 118.68 120.20 1fqn s LEU 185 Ca 0.41 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.69 1fqn s LEU 185 Cb 0.24 -2.56 0.16 0.00 0.03 0.00 0.00 46.19 44.05 1fqn s LEU 185 CO 0.32 0.26 1.26 -2.16 0.23 0.00 0.00 176.35 176.27 1fqn s PRO 186 N -1.91 1.13 0.05 1.29 0.04 -1.26 -4.98 135.00 129.36 1fqn s PRO 186 Ca 0.27 -0.25 -0.26 0.00 0.04 0.00 0.00 61.00 60.79 1fqn s PRO 186 Cb -0.13 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.35 1fqn s PRO 186 CO 0.18 -2.10 1.52 0.93 0.04 0.00 0.00 177.00 177.57 1fqn h GLU 187 N -1.40 -0.29 -6.54 4.56 5.08 -1.91 -3.44 114.58 110.64 1fqn h GLU 187 Ca -0.45 0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.41 1fqn h GLU 187 Cb 1.27 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1fqn h GLU 187 CO 0.48 -0.08 0.19 0.45 -1.00 0.00 0.00 179.01 179.05 1fqn s SER 188 N -5.06 7.41 -0.21 1.42 0.15 -1.26 -4.97 113.70 111.19 1fqn s SER 188 Ca -0.15 1.67 0.15 0.00 0.70 0.00 0.00 55.95 58.32 1fqn s SER 188 Cb 0.04 -2.51 0.81 0.00 -1.71 0.00 0.00 66.02 62.65 1fqn s SER 188 CO 0.62 0.20 1.73 0.18 1.20 0.00 0.00 173.24 177.17 1fqn n LEU 189 N 1.62 5.53 -4.78 3.45 4.77 -1.26 -4.71 117.00 121.62 1fqn n LEU 189 Ca -0.05 -2.81 -0.35 0.00 -0.03 0.00 0.00 56.01 52.77 1fqn n LEU 189 Cb 0.49 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1fqn n LEU 189 CO 0.46 0.68 0.75 -1.81 -1.33 0.00 0.00 177.39 176.15 1fqn s ASP 190 N -0.81 6.10 0.34 -1.43 1.01 -1.26 -4.66 116.67 115.97 1fqn s ASP 190 Ca 0.54 2.07 -0.09 0.00 0.71 0.00 0.00 52.55 55.78 1fqn s ASP 190 Cb 0.40 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.77 1fqn s ASP 190 CO 0.19 -0.95 0.60 -0.72 0.21 0.00 0.00 175.17 174.49 1fqn s TYR 191 N -1.83 0.60 0.14 4.23 -0.85 -1.26 -1.18 117.35 117.20 1fqn s TYR 191 Ca 0.69 -1.01 0.11 0.00 -0.52 0.00 0.00 57.07 56.34 1fqn s TYR 191 Cb -0.21 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 1fqn s TYR 191 CO 0.24 -1.28 -0.26 -1.58 -1.52 0.00 0.00 175.55 171.15 1fqn s TRP 192 N -2.94 2.30 -0.01 -3.49 0.51 0.26 -1.46 118.94 114.11 1fqn s TRP 192 Ca 0.23 -0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 53.78 1fqn s TRP 192 Cb -0.02 -1.23 0.00 0.00 -0.81 0.00 0.00 33.47 31.42 1fqn s TRP 192 CO 0.15 0.37 0.13 -0.08 -0.51 0.00 0.00 176.95 177.02 1fqn s THR 193 N -1.19 0.06 -0.06 2.01 -1.32 -0.22 -0.84 115.64 114.08 1fqn s THR 193 Ca 0.15 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.80 1fqn s THR 193 Cb -0.10 -0.37 0.11 0.00 -1.51 0.00 0.00 72.50 70.64 1fqn s THR 193 CO 0.07 -0.29 0.96 -0.72 -2.21 0.00 0.00 174.62 172.43 1fqn s TYR 194 N -1.01 -0.30 0.01 9.09 1.13 -1.15 -0.97 117.35 124.14 1fqn s TYR 194 Ca -0.11 0.23 -0.27 0.00 -1.41 0.00 0.00 57.07 55.51 1fqn s TYR 194 Cb -0.06 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1fqn s TYR 194 CO 0.01 -0.45 0.84 -1.25 -2.51 0.00 0.00 175.55 172.18 1fqn s PRO 195 N -2.77 4.53 0.00 -3.49 0.04 -1.26 -1.70 135.00 130.34 1fqn s PRO 195 Ca 0.05 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1fqn s PRO 195 Cb -0.01 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1fqn s PRO 195 CO -0.07 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1fqn n GLY 196 N 2.70 4.17 3.50 0.56 0.00 0.23 -4.82 105.19 111.52 1fqn n GLY 196 Ca 0.01 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 1fqn n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fqn s SER 197 N 1.58 2.73 0.51 1.61 1.04 -1.06 -1.68 113.70 118.43 1fqn s SER 197 Ca 0.00 -1.71 -0.21 0.00 0.48 0.00 0.00 55.95 54.51 1fqn s SER 197 Cb 0.00 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1fqn s SER 197 CO 0.00 -0.98 1.12 -0.76 0.98 0.00 0.00 173.24 173.61 1fqn s LEU 198 N -3.60 3.85 0.00 2.42 1.43 -0.92 -4.50 118.68 117.36 1fqn s LEU 198 Ca 0.25 2.17 0.24 0.00 -1.03 0.00 0.00 54.13 55.76 1fqn s LEU 198 Cb 0.02 -4.47 0.31 0.00 0.03 0.00 0.00 46.19 42.08 1fqn s LEU 198 CO 0.16 -1.05 1.32 0.35 0.23 0.00 0.00 176.35 177.36 1fqn n THR 199 N -0.98 0.00 -4.28 5.49 -2.24 -1.26 -4.40 114.28 106.60 1fqn n THR 199 Ca 0.10 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1fqn n THR 199 Cb 0.50 1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.92 1fqn n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fqn s THR 200 N -2.07 1.56 0.32 4.28 -4.23 -1.26 -4.76 115.64 109.48 1fqn s THR 200 Ca 0.28 -1.78 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 1fqn s THR 200 Cb 0.20 -1.65 -0.14 0.00 1.34 0.00 0.00 72.50 72.24 1fqn s THR 200 CO 0.34 -0.34 0.64 -2.65 -0.54 0.00 0.00 174.62 172.07 1fqn n PRO 201 N 0.49 0.60 0.00 3.99 -0.02 -1.26 -0.10 135.00 138.70 1fqn n PRO 201 Ca -0.15 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1fqn n PRO 201 Cb 0.57 -1.43 0.27 0.00 -0.02 0.00 0.00 33.50 32.89 1fqn n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fqn n PRO 202 N 0.79 0.73 -2.38 0.52 -0.04 -1.26 -4.97 135.00 128.38 1fqn n PRO 202 Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1fqn n PRO 202 Cb 0.34 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1fqn n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fqn n LEU 203 N -0.70 -1.37 -4.72 1.53 4.77 0.86 -4.88 117.00 112.49 1fqn n LEU 203 Ca 0.07 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1fqn n LEU 203 Cb 0.03 -2.38 -0.03 0.00 -2.33 0.00 0.00 43.42 38.72 1fqn n LEU 203 CO 0.05 -0.19 1.26 -0.76 -1.33 0.00 0.00 177.39 176.42 1fqn s LEU 204 N -5.65 4.37 -1.28 2.23 1.43 -1.26 -4.42 118.68 114.10 1fqn s LEU 204 Ca 0.00 2.74 -0.18 0.00 -1.03 0.00 0.00 54.13 55.65 1fqn s LEU 204 Cb 0.00 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.68 1fqn s LEU 204 CO 0.00 -0.87 1.74 -1.61 0.23 0.00 0.00 176.35 175.84 1fqn s GLU 205 N 0.81 3.90 -0.01 1.70 2.02 -1.26 -2.16 118.70 123.70 1fqn s GLU 205 Ca 0.70 -1.92 0.02 0.00 0.02 0.00 0.00 54.97 53.79 1fqn s GLU 205 Cb -0.46 -5.52 0.03 0.00 0.10 0.00 0.00 34.13 28.28 1fqn s GLU 205 CO 0.35 -2.34 0.77 0.00 0.02 0.00 0.00 175.26 174.06 1fqn s VAL 207 N -0.51 2.55 -0.49 0.00 0.11 -0.68 -1.18 120.40 120.20 1fqn s VAL 207 Ca 0.03 -0.89 -0.21 0.00 -2.93 0.00 0.00 61.98 57.99 1fqn s VAL 207 Cb 0.03 -1.98 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1fqn s VAL 207 CO 0.00 0.57 0.69 -0.89 -3.33 0.00 0.00 175.10 172.14 1fqn s THR 208 N -0.24 4.77 0.16 5.04 2.01 0.31 -0.60 115.64 127.08 1fqn s THR 208 Ca -0.00 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1fqn s THR 208 Cb -0.13 -4.31 -0.07 0.00 0.01 0.00 0.00 72.50 68.00 1fqn s THR 208 CO 0.03 -0.78 0.99 0.26 -0.69 0.00 0.00 174.62 174.43 1fqn s TRP 209 N 2.95 3.80 -0.32 4.92 0.52 -0.69 -2.31 118.94 127.81 1fqn s TRP 209 Ca 0.21 1.79 -0.01 0.00 0.02 0.00 0.00 56.10 58.11 1fqn s TRP 209 Cb -0.16 -3.09 0.10 0.00 -1.15 0.00 0.00 33.47 29.18 1fqn s TRP 209 CO 0.16 0.08 0.11 0.42 0.02 0.00 0.00 176.95 177.74 1fqn s ILE 210 N -0.36 0.88 -0.31 2.03 1.01 -0.37 -2.96 121.20 121.12 1fqn s ILE 210 Ca 0.46 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1fqn s ILE 210 Cb -0.25 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1fqn s ILE 210 CO 0.32 -0.70 0.17 -0.69 0.00 0.00 0.00 174.94 174.04 1fqn s VAL 211 N 1.52 4.85 0.16 2.92 1.01 -0.02 -0.85 120.40 129.99 1fqn s VAL 211 Ca 0.11 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 1fqn s VAL 211 Cb -0.18 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1fqn s VAL 211 CO -0.23 0.10 1.37 -0.76 0.00 0.00 0.00 175.10 175.59 1fqn s LEU 212 N 1.66 4.39 0.22 3.92 1.43 -0.11 -0.57 118.68 129.61 1fqn s LEU 212 Ca 0.05 2.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.48 1fqn s LEU 212 Cb -0.17 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.63 1fqn s LEU 212 CO 0.08 -0.62 1.81 0.50 0.23 0.00 0.00 176.35 178.35 1fqn h LYS 213 N 6.10 1.19 -5.47 1.70 3.64 -1.48 -3.42 116.57 118.84 1fqn h LYS 213 Ca -0.43 -0.17 -0.61 0.00 -1.27 0.00 0.00 60.65 58.16 1fqn h LYS 213 Cb 1.21 -0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.70 1fqn h LYS 213 CO 0.82 0.91 0.05 -2.00 -2.27 0.00 0.00 179.45 176.96 1fqn s GLU 214 N -5.71 4.12 0.50 1.90 2.12 -1.26 -5.03 118.70 115.34 1fqn s GLU 214 Ca -0.13 0.44 -0.19 0.00 0.36 0.00 0.00 54.97 55.45 1fqn s GLU 214 Cb 0.16 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.84 1fqn s GLU 214 CO 0.83 -0.32 1.03 -1.25 -0.54 0.00 0.00 175.26 175.01 1fqn s PRO 215 N 2.19 3.77 0.36 4.30 0.04 -1.26 -4.67 135.00 139.72 1fqn s PRO 215 Ca 0.24 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 1fqn s PRO 215 Cb -0.16 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1fqn s PRO 215 CO 0.09 -0.45 0.68 0.96 0.04 0.00 0.00 177.00 178.32 1fqn s ILE 216 N -2.11 4.89 0.22 0.56 -4.36 0.53 -4.87 121.20 116.06 1fqn s ILE 216 Ca 0.66 0.36 -0.10 0.00 -0.26 0.00 0.00 60.65 61.31 1fqn s ILE 216 Cb -0.15 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 39.75 1fqn s ILE 216 CO 0.23 -0.45 0.55 -0.44 0.24 0.00 0.00 174.94 175.06 1fqn s SER 217 N -3.21 6.64 -0.01 4.36 0.01 -1.26 -1.00 113.70 119.23 1fqn s SER 217 Ca 0.48 0.93 0.01 0.00 1.31 0.00 0.00 55.95 58.67 1fqn s SER 217 Cb -0.10 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.90 1fqn s SER 217 CO 0.31 -0.06 -0.01 0.68 0.41 0.00 0.00 173.24 174.57 1fqn s VAL 218 N -1.79 0.16 0.81 3.43 -7.23 0.19 -4.03 120.40 111.93 1fqn s VAL 218 Ca 0.47 -0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.48 1fqn s VAL 218 Cb -0.11 -0.17 0.08 0.00 0.56 0.00 0.00 36.38 36.73 1fqn s VAL 218 CO 0.21 0.07 1.10 -0.94 -0.31 0.00 0.00 175.10 175.23 1fqn s SER 219 N 0.24 4.34 0.18 4.85 1.04 -1.23 0.04 113.70 123.17 1fqn s SER 219 Ca -0.02 1.27 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 1fqn s SER 219 Cb -0.04 -1.98 0.09 0.00 0.10 0.00 0.00 66.02 64.19 1fqn s SER 219 CO -0.01 -2.06 1.84 0.77 0.98 0.00 0.00 173.24 174.76 1fqn h SER 220 N -1.15 0.63 -0.70 7.02 4.64 -1.95 -2.01 113.55 120.02 1fqn h SER 220 Ca -0.47 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1fqn h SER 220 Cb 1.28 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1fqn h SER 220 CO 0.59 0.45 0.36 -0.33 -0.87 0.00 0.00 176.83 177.03 1fqn h GLU 221 N 0.75 0.99 0.03 4.77 3.07 -1.97 0.59 114.58 122.81 1fqn h GLU 221 Ca 0.21 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1fqn h GLU 221 Cb -0.06 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 1fqn h GLU 221 CO -0.06 0.76 -0.01 1.96 -1.40 0.00 0.00 179.01 180.26 1fqn h GLN 222 N 0.97 -0.04 -0.54 2.33 4.20 -1.85 -1.48 115.11 118.71 1fqn h GLN 222 Ca 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 1fqn h GLN 222 Cb 0.08 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1fqn h GLN 222 CO -0.03 0.04 0.13 -0.39 -0.67 0.00 0.00 178.83 177.90 1fqn h VAL 223 N -0.11 1.22 -0.13 -0.54 -1.51 -1.20 -0.75 116.25 113.24 1fqn h VAL 223 Ca -0.00 -0.80 0.04 0.00 -1.23 0.00 0.00 66.70 64.70 1fqn h VAL 223 Cb 0.10 0.67 -0.04 0.00 -2.13 0.00 0.00 31.29 29.89 1fqn h VAL 223 CO 0.01 0.30 -0.14 -0.07 -1.23 0.00 0.00 177.57 176.44 1fqn h LEU 224 N 0.79 -0.43 -1.49 4.19 3.38 -0.70 -2.48 115.31 118.57 1fqn h LEU 224 Ca 0.17 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1fqn h LEU 224 Cb 0.29 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1fqn h LEU 224 CO -0.00 -0.18 0.00 0.11 0.09 0.00 0.00 178.44 178.46 1fqn h LYS 225 N -0.17 0.33 0.00 1.13 1.57 -0.57 -1.81 116.57 117.05 1fqn h LYS 225 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1fqn h LYS 225 Cb 0.30 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1fqn h LYS 225 CO -0.23 0.36 -0.05 0.74 -0.57 0.00 0.00 179.45 179.70 1fqn h PHE 226 N 0.33 0.00 -0.42 -1.35 -1.00 -0.72 -2.62 116.94 111.15 1fqn h PHE 226 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1fqn h PHE 226 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1fqn h PHE 226 CO 0.00 0.05 0.00 0.54 -1.61 0.00 0.00 178.31 177.29 1fqn n ARG 227 N -3.21 2.15 0.00 1.51 1.74 -0.68 -4.03 116.66 114.14 1fqn n ARG 227 Ca -0.00 -1.76 0.12 0.00 -0.77 0.00 0.00 57.85 55.43 1fqn n ARG 227 Cb 0.28 -1.42 0.20 0.00 -1.02 0.00 0.00 32.46 30.50 1fqn n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fqn n LYS 228 N 0.94 0.89 -1.34 5.56 5.02 -0.99 -4.55 118.16 123.70 1fqn n LYS 228 Ca 0.17 -0.63 -0.30 0.00 -2.02 0.00 0.00 58.31 55.53 1fqn n LYS 228 Cb 0.44 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 34.08 1fqn n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fqn s LEU 229 N -2.54 2.46 0.03 -0.35 1.43 -1.26 -4.87 118.68 113.58 1fqn s LEU 229 Ca 0.21 1.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1fqn s LEU 229 Cb 0.19 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1fqn s LEU 229 CO 0.57 -2.33 -0.21 0.20 0.23 0.00 0.00 176.35 174.81 1fqn s ASN 230 N -3.59 3.60 0.07 2.29 0.02 0.61 -0.18 114.94 117.76 1fqn s ASN 230 Ca 0.62 -0.46 -0.09 0.00 -1.02 0.00 0.00 52.86 51.91 1fqn s ASN 230 Cb -0.17 -0.52 -0.26 0.00 0.02 0.00 0.00 41.25 40.33 1fqn s ASN 230 CO 0.56 0.26 1.14 -0.26 0.02 0.00 0.00 177.10 178.82 1fqn h PHE 231 N 4.70 0.74 -4.32 2.20 0.04 -0.77 -3.36 116.94 116.17 1fqn h PHE 231 Ca -0.47 -0.49 -0.51 0.00 2.80 0.00 0.00 57.97 59.29 1fqn h PHE 231 Cb 1.15 -0.05 0.11 0.00 2.20 0.00 0.00 35.95 39.36 1fqn h PHE 231 CO 0.51 1.36 0.35 0.54 -0.60 0.00 0.00 178.31 180.46 1fqn s ASN 232 N -7.29 4.99 0.71 2.17 4.22 -1.25 -4.34 114.94 114.15 1fqn s ASN 232 Ca -0.07 1.73 -0.11 0.00 -2.14 0.00 0.00 52.86 52.27 1fqn s ASN 232 Cb 0.06 -2.51 0.02 0.00 1.28 0.00 0.00 41.25 40.11 1fqn s ASN 232 CO 0.91 -1.71 1.10 -0.83 -2.04 0.00 0.00 177.10 174.52 1fqn s GLY 233 N -3.55 1.62 0.35 0.45 0.00 -1.26 -1.39 107.32 103.55 1fqn s GLY 233 Ca 0.60 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.64 1fqn s GLY 233 CO 0.55 -0.02 1.38 1.85 0.00 0.00 0.00 173.10 176.85 1fqn s GLU 234 N -5.37 4.23 0.00 2.90 2.12 -1.26 -2.55 118.70 118.77 1fqn s GLU 234 Ca 0.58 2.36 0.00 0.00 0.36 0.00 0.00 54.97 58.27 1fqn s GLU 234 Cb -0.11 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1fqn s GLU 234 CO 0.51 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 1fqn n GLY 235 N 0.65 0.83 3.72 -1.50 0.00 -1.26 -5.05 105.19 102.58 1fqn n GLY 235 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1fqn n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fqn s GLU 236 N -0.23 2.51 0.26 1.61 2.02 -1.06 -5.07 118.70 118.73 1fqn s GLU 236 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 1fqn s GLU 236 Cb 0.00 -2.29 -0.14 0.00 0.10 0.00 0.00 34.13 31.80 1fqn s GLU 236 CO 0.00 0.33 1.24 -2.30 0.02 0.00 0.00 175.26 174.55 1fqn n PRO 237 N -1.03 1.71 -1.95 0.39 -0.02 -1.26 -4.87 135.00 127.97 1fqn n PRO 237 Ca -0.06 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1fqn n PRO 237 Cb 0.59 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1fqn n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fqn s GLU 238 N -0.94 3.93 -0.33 -0.52 2.12 -1.26 -4.77 118.70 116.94 1fqn s GLU 238 Ca 0.65 2.05 0.02 0.00 0.36 0.00 0.00 54.97 58.05 1fqn s GLU 238 Cb -0.69 -4.07 0.10 0.00 0.26 0.00 0.00 34.13 29.73 1fqn s GLU 238 CO 0.55 -1.16 0.06 -1.21 -0.54 0.00 0.00 175.26 172.96 1fqn s GLU 239 N 4.57 1.24 0.29 4.30 2.02 -1.26 -5.05 118.70 124.81 1fqn s GLU 239 Ca 0.78 -1.58 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1fqn s GLU 239 Cb -0.32 -2.79 -0.13 0.00 0.10 0.00 0.00 34.13 31.00 1fqn s GLU 239 CO 0.32 -0.94 1.33 1.28 0.02 0.00 0.00 175.26 177.27 1fqn n LEU 240 N 4.46 3.20 -4.46 1.80 4.77 -1.26 -0.13 117.00 125.38 1fqn n LEU 240 Ca 0.01 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.73 1fqn n LEU 240 Cb 0.42 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1fqn n LEU 240 CO 0.18 -0.55 1.89 0.80 -1.33 0.00 0.00 177.39 178.38 1fqn n MET 241 N 1.29 3.23 -4.25 3.23 0.00 0.74 -4.55 117.12 116.82 1fqn n MET 241 Ca 0.08 -3.38 -0.19 0.00 -0.00 0.00 0.00 57.70 54.22 1fqn n MET 241 Cb 0.33 -3.35 -0.11 0.00 0.00 0.00 0.00 33.22 30.10 1fqn n MET 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1fqn s VAL 242 N 3.34 1.38 -1.41 1.12 -7.23 -1.26 -4.73 120.40 111.61 1fqn s VAL 242 Ca 0.50 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.87 1fqn s VAL 242 Cb 0.03 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.47 1fqn s VAL 242 CO 0.04 -0.37 1.11 0.47 -0.31 0.00 0.00 175.10 176.04 1fqn n ASP 243 N 0.59 -5.64 -3.16 4.85 8.00 0.16 -4.84 116.55 116.51 1fqn n ASP 243 Ca -0.16 -0.62 -0.36 0.00 0.71 0.00 0.00 54.79 54.36 1fqn n ASP 243 Cb 0.57 -4.67 -0.02 0.00 -0.02 0.00 0.00 41.12 36.98 1fqn n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fqn n ASN 244 N -2.97 7.48 -4.13 -2.24 6.94 -1.14 -4.88 115.26 114.32 1fqn n ASN 244 Ca 0.00 -3.24 -0.23 0.00 -0.02 0.00 0.00 54.58 51.10 1fqn n ASN 244 Cb 0.56 -1.29 -0.15 0.00 -2.36 0.00 0.00 39.78 36.53 1fqn n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1fqn s TRP 245 N -1.72 1.34 0.08 -2.53 1.48 -1.26 -4.54 118.94 111.79 1fqn s TRP 245 Ca 0.54 -0.26 -0.24 0.00 -1.06 0.00 0.00 56.10 55.08 1fqn s TRP 245 Cb 0.26 -0.86 -0.06 0.00 -1.16 0.00 0.00 33.47 31.64 1fqn s TRP 245 CO -0.15 -0.02 0.72 0.50 -4.06 0.00 0.00 176.95 173.94 1fqn s ARG 246 N -0.43 4.46 0.89 3.25 3.52 -1.26 -4.99 118.95 124.38 1fqn s ARG 246 Ca 0.06 1.01 -0.12 0.00 -0.13 0.00 0.00 55.73 56.54 1fqn s ARG 246 Cb -0.06 -3.31 0.12 0.00 -1.56 0.00 0.00 34.95 30.14 1fqn s ARG 246 CO -0.00 0.43 1.12 -1.25 -0.81 0.00 0.00 175.30 174.79 1fqn s PRO 247 N -0.55 1.33 0.29 5.12 0.04 -1.26 -4.67 135.00 135.31 1fqn s PRO 247 Ca 0.35 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1fqn s PRO 247 Cb -0.21 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1fqn s PRO 247 CO 0.23 -2.09 1.49 0.00 0.04 0.00 0.00 177.00 176.67 1fqn n ALA 248 N -3.71 1.92 -2.77 8.56 0.00 -1.26 -4.32 120.51 118.93 1fqn n ALA 248 Ca 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1fqn n ALA 248 Cb 0.58 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1fqn n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fqn s GLN 249 N -0.79 2.93 0.04 0.00 -1.52 0.16 -4.94 119.66 115.54 1fqn s GLN 249 Ca 0.63 -1.07 -0.34 0.00 -1.95 0.00 0.00 55.36 52.63 1fqn s GLN 249 Cb -0.55 -2.58 -0.13 0.00 -0.22 0.00 0.00 33.01 29.53 1fqn s GLN 249 CO 0.52 0.35 1.71 -2.30 -0.25 0.00 0.00 175.29 175.32 1fqn n PRO 250 N -1.24 2.12 0.19 2.91 -0.02 -1.26 -4.60 135.00 133.10 1fqn n PRO 250 Ca -0.07 0.77 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 1fqn n PRO 250 Cb 0.58 -2.57 0.38 0.00 -0.02 0.00 0.00 33.50 31.87 1fqn n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fqn h LEU 251 N 7.42 0.00 0.00 2.45 5.85 -1.93 -3.42 115.31 125.68 1fqn h LEU 251 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1fqn h LEU 251 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1fqn h LEU 251 CO 0.91 0.36 0.00 0.29 -0.34 0.00 0.00 178.44 179.66 1fqn n LYS 252 N -3.64 0.00 -0.98 1.25 4.76 -1.26 -2.35 118.16 115.94 1fqn n LYS 252 Ca -0.01 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1fqn n LYS 252 Cb 0.47 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.97 1fqn n LYS 252 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fqn n ASN 253 N 3.40 4.92 -4.78 4.39 5.15 -1.26 -4.98 115.26 122.11 1fqn n ASN 253 Ca 0.00 -3.12 -0.37 0.00 -0.60 0.00 0.00 54.58 50.49 1fqn n ASN 253 Cb 0.00 -0.73 -0.03 0.00 -0.53 0.00 0.00 39.78 38.48 1fqn n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1fqn s ARG 254 N -2.86 4.13 -0.20 1.20 0.52 -0.99 -5.05 118.95 115.70 1fqn s ARG 254 Ca 0.53 1.59 -0.03 0.00 -0.52 0.00 0.00 55.73 57.30 1fqn s ARG 254 Cb 0.42 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1fqn s ARG 254 CO 0.14 -0.19 -0.06 -1.14 0.02 0.00 0.00 175.30 174.07 1fqn s GLN 255 N -2.45 3.36 -0.15 3.54 0.74 -1.26 -5.04 119.66 118.41 1fqn s GLN 255 Ca 0.58 -0.64 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 1fqn s GLN 255 Cb -0.24 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1fqn s GLN 255 CO 0.30 -0.13 0.57 0.42 -0.55 0.00 0.00 175.29 175.90 1fqn s ILE 256 N 1.28 5.10 0.14 -2.34 1.01 -1.26 -4.58 121.20 120.54 1fqn s ILE 256 Ca 0.03 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1fqn s ILE 256 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1fqn s ILE 256 CO -0.03 0.22 -0.04 -0.54 0.00 0.00 0.00 174.94 174.55 1fqn s LYS 257 N 1.24 2.31 -0.01 2.79 1.02 -0.15 -1.09 119.74 125.84 1fqn s LYS 257 Ca 0.28 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1fqn s LYS 257 Cb -0.16 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1fqn s LYS 257 CO 0.11 0.48 -0.17 0.00 -0.92 0.00 0.00 175.35 174.86 1fqn s ALA 258 N -1.51 2.60 -2.43 5.17 0.00 0.15 -1.06 121.76 124.69 1fqn s ALA 258 Ca 0.25 -1.08 0.26 0.00 0.00 0.00 0.00 51.96 51.39 1fqn s ALA 258 Cb -0.10 -0.84 0.97 0.00 0.00 0.00 0.00 23.12 23.15 1fqn s ALA 258 CO 0.17 0.56 1.69 -1.13 0.00 0.00 0.00 175.76 177.05 1fqn n SER 259 N 2.00 1.53 -4.19 0.00 3.41 -0.53 -0.46 113.62 115.38 1fqn n SER 259 Ca -0.17 -1.56 -0.13 0.00 -0.26 0.00 0.00 58.87 56.76 1fqn n SER 259 Cb 0.52 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1fqn n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fqn s PHE 260 N -1.94 1.06 -2.60 7.33 -0.71 -1.26 -4.89 117.98 114.97 1fqn s PHE 260 Ca 0.36 -0.74 0.27 0.00 -1.04 0.00 0.00 56.93 55.79 1fqn s PHE 260 Cb 0.20 -0.57 0.88 0.00 -1.21 0.00 0.00 43.02 42.31 1fqn s PHE 260 CO 0.31 -0.02 1.65 1.63 -1.34 0.00 0.00 175.22 177.45