#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqr s HIS 4 N 0.00 2.64 0.59 1.57 5.04 -1.26 -5.11 115.29 118.77 1fqr s HIS 4 Ca 0.00 -0.54 -0.17 0.00 -1.54 0.00 0.00 55.06 52.81 1fqr s HIS 4 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 32.58 30.62 1fqr s HIS 4 CO 0.00 0.14 1.10 1.67 -2.34 0.00 0.00 174.74 175.30 1fqr s TRP 5 N -2.55 2.75 0.00 3.88 1.48 -1.26 -4.87 118.94 118.38 1fqr s TRP 5 Ca 0.42 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 57.00 1fqr s TRP 5 Cb 0.01 -3.16 0.00 0.00 -1.16 0.00 0.00 33.47 29.16 1fqr s TRP 5 CO 0.24 -1.45 0.00 0.41 -4.06 0.00 0.00 176.95 172.09 1fqr n GLY 6 N -0.40 2.71 0.01 3.67 0.00 -0.54 -5.03 105.19 105.61 1fqr n GLY 6 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1fqr n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fqr n TYR 7 N 0.00 0.00 -2.02 1.61 4.01 -1.26 -3.80 117.16 115.70 1fqr n TYR 7 Ca 0.00 -0.32 -0.28 0.00 -0.16 0.00 0.00 57.90 57.14 1fqr n TYR 7 Cb 0.00 -0.03 0.13 0.00 -0.31 0.00 0.00 39.34 39.12 1fqr n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fqr s GLY 8 N -0.67 1.70 0.24 2.72 0.00 -1.26 -4.54 107.32 105.52 1fqr s GLY 8 Ca 0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1fqr s GLY 8 CO 0.00 -0.41 1.78 1.70 0.00 0.00 0.00 173.10 176.17 1fqr h LYS 9 N -1.17 0.64 -0.10 2.90 1.63 -1.97 0.97 116.57 119.47 1fqr h LYS 9 Ca -0.44 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1fqr h LYS 9 Cb 1.28 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1fqr h LYS 9 CO 0.52 0.42 0.00 0.72 -3.45 0.00 0.00 179.45 177.66 1fqr n HIS 10 N -4.83 0.11 -1.47 1.91 8.25 -1.26 -4.36 115.22 113.57 1fqr n HIS 10 Ca 0.14 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1fqr n HIS 10 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1fqr n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1fqr n ASN 11 N 0.67 0.00 -3.54 0.41 2.04 -0.97 -4.98 115.26 108.89 1fqr n ASN 11 Ca 0.17 -1.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.02 1fqr n ASN 11 Cb 0.44 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.93 1fqr n ASN 11 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1fqr n GLY 12 N 0.00 -2.63 0.65 4.83 0.00 0.33 -1.47 105.19 106.91 1fqr n GLY 12 Ca 0.00 -1.51 0.48 0.00 0.00 0.00 0.00 46.02 44.98 1fqr n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fqr h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.85 0.97 132.00 132.85 1fqr h PRO 13 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1fqr h PRO 13 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fqr h PRO 13 CO 0.26 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.20 1fqr n GLU 14 N -4.04 0.12 -0.01 1.05 0.00 -1.26 -3.16 120.64 113.35 1fqr n GLU 14 Ca 0.39 0.31 0.07 0.00 0.00 0.00 0.00 57.16 57.93 1fqr n GLU 14 Cb 1.78 -1.70 -0.12 0.00 0.00 0.00 0.00 31.44 31.39 1fqr n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1fqr n HIS 15 N -1.92 0.00 -0.35 -1.84 8.25 0.33 -4.71 115.22 114.99 1fqr n HIS 15 Ca 0.03 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.72 1fqr n HIS 15 Cb 0.24 -0.36 0.46 0.00 1.12 0.00 0.00 29.99 31.45 1fqr n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1fqr h TRP 16 N 0.00 0.88 -0.10 4.41 6.55 -1.56 -2.23 115.95 123.90 1fqr h TRP 16 Ca -0.01 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.89 1fqr h TRP 16 Cb 0.74 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.79 1fqr h TRP 16 CO 0.00 -0.04 0.14 1.12 -1.05 0.00 0.00 178.44 178.61 1fqr h HIS 17 N 0.42 0.00 -0.25 0.49 2.07 -1.80 0.07 115.15 116.15 1fqr h HIS 17 Ca 0.68 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 58.05 1fqr h HIS 17 Cb 1.54 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.52 1fqr h HIS 17 CO -0.01 0.00 -0.48 0.87 -3.07 0.00 0.00 177.93 175.24 1fqr h LYS 18 N 0.00 0.67 0.00 5.12 1.57 -1.77 -2.09 116.57 120.08 1fqr h LYS 18 Ca 0.05 -0.39 -0.25 0.00 -1.87 0.00 0.00 60.65 58.20 1fqr h LYS 18 Cb 0.33 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1fqr h LYS 18 CO -0.00 1.00 -1.76 -0.25 -0.57 0.00 0.00 179.45 177.87 1fqr n ASP 19 N -4.00 0.63 -3.50 0.86 8.00 -0.92 -4.64 116.55 112.98 1fqr n ASP 19 Ca -0.03 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.50 1fqr n ASP 19 Cb 0.57 0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.94 1fqr n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1fqr n PHE 20 N -2.88 0.88 -0.05 1.24 3.72 -0.04 -4.98 117.46 115.36 1fqr n PHE 20 Ca -0.17 -3.73 0.20 0.00 -0.05 0.00 0.00 57.45 53.69 1fqr n PHE 20 Cb 0.97 -0.19 0.30 0.00 -0.94 0.00 0.00 39.48 39.62 1fqr n PHE 20 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1fqr n PRO 21 N 2.08 0.02 0.16 -1.08 -0.01 -0.79 0.32 135.00 135.71 1fqr n PRO 21 Ca 0.26 0.99 0.13 0.00 -0.01 0.00 0.00 63.50 64.86 1fqr n PRO 21 Cb 0.44 -2.51 0.55 0.00 -0.01 0.00 0.00 33.50 31.98 1fqr n PRO 21 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 175.50 176.46 1fqr h ILE 22 N 0.00 0.00 -0.05 4.25 6.09 -1.90 -2.75 117.51 123.16 1fqr h ILE 22 Ca 0.34 -0.25 0.01 0.00 -1.37 0.00 0.00 64.86 63.59 1fqr h ILE 22 Cb 2.63 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 40.93 1fqr h ILE 22 CO -0.00 0.00 0.30 0.00 -3.07 0.00 0.00 178.15 175.38 1fqr h ALA 23 N 2.19 1.39 -0.36 0.18 0.00 -0.43 0.34 119.26 122.57 1fqr h ALA 23 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fqr h ALA 23 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fqr h ALA 23 CO 0.00 -0.33 0.00 1.63 0.00 0.00 0.00 179.25 180.55 1fqr n LYS 24 N -3.02 3.41 -0.38 0.00 5.02 -1.04 -4.96 118.16 117.20 1fqr n LYS 24 Ca -0.01 -2.87 -0.09 0.00 -2.02 0.00 0.00 58.31 53.32 1fqr n LYS 24 Cb 0.37 -1.90 0.08 0.00 -0.02 0.00 0.00 35.03 33.55 1fqr n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqr n GLY 25 N -0.10 -2.33 0.00 0.72 0.00 0.12 -4.99 105.19 98.61 1fqr n GLY 25 Ca 0.22 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.87 1fqr n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fqr n GLU 26 N -2.45 0.02 -2.83 1.61 -0.58 -1.26 -4.33 120.64 110.82 1fqr n GLU 26 Ca 0.05 0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.61 1fqr n GLU 26 Cb 0.19 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1fqr n GLU 26 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1fqr n ARG 27 N -1.54 1.97 -3.37 3.49 1.74 -1.26 -4.77 116.66 112.92 1fqr n ARG 27 Ca 0.06 -3.87 -0.33 0.00 -0.77 0.00 0.00 57.85 52.94 1fqr n ARG 27 Cb 0.34 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1fqr n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fqr s GLN 28 N -3.07 3.89 0.17 5.56 -1.52 -1.26 -2.57 119.66 120.85 1fqr s GLN 28 Ca 0.39 0.39 0.10 0.00 -1.95 0.00 0.00 55.36 54.30 1fqr s GLN 28 Cb 0.38 -2.73 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 1fqr s GLN 28 CO -0.08 0.36 -0.23 -1.12 -0.25 0.00 0.00 175.29 173.97 1fqr s SER 29 N -2.12 3.16 0.86 5.90 0.01 -1.26 -4.62 113.70 115.62 1fqr s SER 29 Ca 0.45 -0.83 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 1fqr s SER 29 Cb -0.12 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.04 1fqr s SER 29 CO 0.20 0.09 0.93 -0.81 0.41 0.00 0.00 173.24 174.06 1fqr n PRO 30 N 0.43 -0.57 -4.18 12.44 -0.04 -1.26 -4.54 135.00 137.28 1fqr n PRO 30 Ca -0.14 -1.82 -0.11 0.00 -0.04 0.00 0.00 63.50 61.39 1fqr n PRO 30 Cb 0.56 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.08 1fqr n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fqr s VAL 31 N -2.88 0.16 0.14 0.52 -7.23 -1.26 0.76 120.40 110.61 1fqr s VAL 31 Ca 0.56 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 1fqr s VAL 31 Cb -0.02 -2.22 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 1fqr s VAL 31 CO 0.38 -0.30 0.68 -0.62 -0.31 0.00 0.00 175.10 174.93 1fqr s ASP 32 N -3.11 7.18 -0.40 4.85 2.15 -1.26 -3.15 116.67 122.93 1fqr s ASP 32 Ca 0.29 1.44 -0.11 0.00 0.43 0.00 0.00 52.55 54.61 1fqr s ASP 32 Cb 0.07 -2.42 0.05 0.00 -0.30 0.00 0.00 42.92 40.32 1fqr s ASP 32 CO 0.06 0.19 0.24 -0.63 -0.17 0.00 0.00 175.17 174.86 1fqr s ILE 33 N -1.23 4.51 -0.59 4.11 1.01 0.13 -4.92 121.20 124.22 1fqr s ILE 33 Ca 0.35 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1fqr s ILE 33 Cb -0.20 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.70 1fqr s ILE 33 CO 0.22 -0.37 0.90 -0.62 0.00 0.00 0.00 174.94 175.07 1fqr s ASP 34 N 1.86 6.25 0.65 3.58 3.68 -1.26 -0.27 116.67 131.15 1fqr s ASP 34 Ca 0.02 -0.73 0.42 0.00 2.13 0.00 0.00 52.55 54.40 1fqr s ASP 34 Cb -0.21 -2.40 2.24 0.00 -1.45 0.00 0.00 42.92 41.09 1fqr s ASP 34 CO 0.05 -1.26 2.31 0.71 0.13 0.00 0.00 175.17 177.11 1fqr h THR 35 N 5.97 0.04 0.00 1.71 1.35 -1.95 -1.30 112.91 118.73 1fqr h THR 35 Ca -0.28 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1fqr h THR 35 Cb 1.08 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1fqr h THR 35 CO 1.11 0.00 -0.14 1.41 -0.25 0.00 0.00 175.52 177.65 1fqr n HIS 36 N -3.13 0.01 -0.11 4.73 8.25 -1.26 -3.86 115.22 119.85 1fqr n HIS 36 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1fqr n HIS 36 Cb 0.11 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1fqr n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1fqr n THR 37 N -1.50 0.00 -2.11 1.59 -2.24 -0.73 -5.03 114.28 104.26 1fqr n THR 37 Ca 0.07 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 1fqr n THR 37 Cb 0.34 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1fqr n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fqr s ALA 38 N -0.43 3.54 -0.29 6.98 0.00 -0.57 -4.88 121.76 126.11 1fqr s ALA 38 Ca 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1fqr s ALA 38 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1fqr s ALA 38 CO 0.00 -0.64 0.39 0.21 0.00 0.00 0.00 175.76 175.72 1fqr s LYS 39 N -0.97 3.88 0.09 0.00 2.47 -0.35 -4.81 119.74 120.05 1fqr s LYS 39 Ca 0.54 -0.07 -0.31 0.00 -1.56 0.00 0.00 55.97 54.57 1fqr s LYS 39 Cb -0.40 -3.70 -0.08 0.00 -1.46 0.00 0.00 37.83 32.19 1fqr s LYS 39 CO 0.46 -0.37 1.50 -0.47 0.16 0.00 0.00 175.35 176.63 1fqr s TYR 40 N 2.10 2.90 -0.49 4.03 5.04 -1.26 -0.97 117.35 128.70 1fqr s TYR 40 Ca 0.15 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.50 1fqr s TYR 40 Cb -0.16 -3.80 0.13 0.00 0.35 0.00 0.00 41.96 38.48 1fqr s TYR 40 CO 0.11 -3.01 0.25 0.34 -1.34 0.00 0.00 175.55 171.90 1fqr s ASP 41 N 1.63 4.14 0.00 4.32 3.68 -0.50 -4.87 116.67 125.07 1fqr s ASP 41 Ca 0.68 -2.87 0.00 0.00 2.13 0.00 0.00 52.55 52.49 1fqr s ASP 41 Cb -0.38 -1.47 0.00 0.00 -1.45 0.00 0.00 42.92 39.63 1fqr s ASP 41 CO 0.30 -0.25 0.22 -0.81 0.13 0.00 0.00 175.17 174.76 1fqr n PRO 42 N 3.28 0.21 -0.52 4.34 -0.04 -1.26 -2.59 135.00 138.43 1fqr n PRO 42 Ca 0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1fqr n PRO 42 Cb 0.33 -1.00 0.31 0.00 -0.04 0.00 0.00 33.50 33.09 1fqr n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fqr n SER 43 N -0.50 4.32 -4.61 3.54 3.41 -1.26 -4.94 113.62 113.57 1fqr n SER 43 Ca 0.00 -2.50 -0.39 0.00 -0.26 0.00 0.00 58.87 55.72 1fqr n SER 43 Cb 0.00 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 1fqr n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fqr s LEU 44 N -1.93 4.05 0.58 1.04 1.43 -1.07 -5.05 118.68 117.74 1fqr s LEU 44 Ca 0.45 0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 1fqr s LEU 44 Cb 0.30 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1fqr s LEU 44 CO 0.20 -0.14 1.08 0.29 0.23 0.00 0.00 176.35 178.01 1fqr n LYS 45 N 5.12 1.11 -1.80 1.70 4.76 -1.22 -4.82 118.16 123.01 1fqr n LYS 45 Ca -0.10 0.42 -0.37 0.00 -2.87 0.00 0.00 58.31 55.40 1fqr n LYS 45 Cb 0.51 -2.28 0.06 0.00 -1.84 0.00 0.00 35.03 31.48 1fqr n LYS 45 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1fqr s PRO 46 N -2.79 2.72 0.32 1.97 0.02 -1.26 -0.33 135.00 135.65 1fqr s PRO 46 Ca 0.75 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 63.53 1fqr s PRO 46 Cb -0.42 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 1fqr s PRO 46 CO 0.47 -1.46 1.29 -1.17 -0.33 0.00 0.00 177.00 175.81 1fqr s LEU 47 N -4.18 4.44 -0.24 -5.54 0.20 -1.26 -1.41 118.68 110.69 1fqr s LEU 47 Ca 0.80 2.65 0.01 0.00 0.69 0.00 0.00 54.13 58.28 1fqr s LEU 47 Cb -0.37 -3.65 0.06 0.00 -0.43 0.00 0.00 46.19 41.81 1fqr s LEU 47 CO 0.40 -0.51 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.32 1fqr s SER 48 N -0.47 4.02 -0.29 3.68 0.15 0.22 -4.81 113.70 116.20 1fqr s SER 48 Ca 0.49 -1.24 -0.06 0.00 0.70 0.00 0.00 55.95 55.84 1fqr s SER 48 Cb -0.39 -1.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1fqr s SER 48 CO 0.51 -0.22 0.06 -0.69 1.20 0.00 0.00 173.24 174.11 1fqr s VAL 49 N 1.30 3.80 -0.58 4.45 1.01 -1.26 -0.68 120.40 128.44 1fqr s VAL 49 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1fqr s VAL 49 Cb -0.19 -2.98 0.15 0.00 0.00 0.00 0.00 36.38 33.36 1fqr s VAL 49 CO -0.06 0.06 0.35 -0.44 0.00 0.00 0.00 175.10 175.01 1fqr s SER 50 N 1.46 4.38 -0.31 3.32 0.01 -0.74 -4.91 113.70 116.92 1fqr s SER 50 Ca 0.02 -3.31 0.10 0.00 1.31 0.00 0.00 55.95 54.07 1fqr s SER 50 Cb -0.17 -1.56 0.66 0.00 0.21 0.00 0.00 66.02 65.15 1fqr s SER 50 CO 0.02 -0.18 1.69 -1.22 0.41 0.00 0.00 173.24 173.96 1fqr n TYR 51 N 2.70 2.00 -0.14 2.43 4.01 -1.26 -1.95 117.16 124.95 1fqr n TYR 51 Ca 0.11 -1.30 -0.07 0.00 -0.16 0.00 0.00 57.90 56.49 1fqr n TYR 51 Cb 0.34 -0.62 0.01 0.00 -0.31 0.00 0.00 39.34 38.76 1fqr n TYR 51 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1fqr h ASP 52 N 2.01 0.47 -0.63 7.72 5.19 -1.91 -2.85 116.42 126.41 1fqr h ASP 52 Ca 0.25 -0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 56.43 1fqr h ASP 52 Cb 2.11 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 41.38 1fqr h ASP 52 CO 0.62 0.34 0.22 1.67 -3.12 0.00 0.00 179.24 178.97 1fqr n GLN 53 N -4.81 2.93 -1.57 3.56 -0.06 -1.17 -5.02 117.38 111.24 1fqr n GLN 53 Ca 0.01 -3.06 -0.41 0.00 -2.00 0.00 0.00 57.00 51.55 1fqr n GLN 53 Cb 0.04 -2.07 0.02 0.00 -4.06 0.00 0.00 30.24 24.17 1fqr n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1fqr n ALA 54 N -0.60 -0.28 -3.54 1.69 0.00 -1.08 -4.61 120.51 112.09 1fqr n ALA 54 Ca 0.40 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.71 1fqr n ALA 54 Cb 1.29 -2.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 1fqr n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fqr s THR 55 N -1.38 0.00 0.56 0.00 2.01 -1.26 -4.94 115.64 110.63 1fqr s THR 55 Ca 0.65 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 1fqr s THR 55 Cb -0.54 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1fqr s THR 55 CO 0.55 -0.76 1.01 -0.94 -0.69 0.00 0.00 174.62 173.79 1fqr s SER 56 N 1.95 6.42 0.02 3.53 1.04 -1.26 -0.48 113.70 124.90 1fqr s SER 56 Ca 0.10 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 1fqr s SER 56 Cb -0.17 -2.49 -0.00 0.00 0.10 0.00 0.00 66.02 63.45 1fqr s SER 56 CO -0.32 -0.74 -0.02 0.18 0.98 0.00 0.00 173.24 173.33 1fqr n LEU 57 N -2.11 0.41 -4.13 2.42 4.77 0.11 -4.18 117.00 114.29 1fqr n LEU 57 Ca 0.06 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1fqr n LEU 57 Cb 0.54 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1fqr n LEU 57 CO 0.51 -0.56 -0.13 -0.13 -1.33 0.00 0.00 177.39 175.76 1fqr s ARG 58 N -1.38 1.25 -0.03 3.23 0.52 -1.24 -0.42 118.95 120.87 1fqr s ARG 58 Ca -0.02 -1.48 0.07 0.00 -0.52 0.00 0.00 55.73 53.78 1fqr s ARG 58 Cb 0.00 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 1fqr s ARG 58 CO 0.02 -0.44 -0.24 -1.50 0.02 0.00 0.00 175.30 173.17 1fqr s ILE 59 N -4.10 2.25 0.02 1.52 2.07 0.08 -0.79 121.20 122.24 1fqr s ILE 59 Ca 0.32 -1.03 -0.04 0.00 -1.41 0.00 0.00 60.65 58.49 1fqr s ILE 59 Cb 0.05 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.82 1fqr s ILE 59 CO 0.09 0.58 0.06 -0.22 -1.91 0.00 0.00 174.94 173.54 1fqr s LEU 60 N -0.54 1.89 -0.43 8.50 2.96 0.95 -1.15 118.68 130.86 1fqr s LEU 60 Ca 0.08 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 1fqr s LEU 60 Cb -0.11 0.44 0.09 0.00 0.50 0.00 0.00 46.19 47.12 1fqr s LEU 60 CO 0.00 -0.39 0.26 0.21 -1.32 0.00 0.00 176.35 175.12 1fqr s ASN 61 N -1.64 5.56 -0.01 3.68 3.84 -0.61 0.70 114.94 126.46 1fqr s ASN 61 Ca -0.12 -1.70 0.13 0.00 0.21 0.00 0.00 52.86 51.38 1fqr s ASN 61 Cb -0.06 -1.96 0.40 0.00 -0.55 0.00 0.00 41.25 39.08 1fqr s ASN 61 CO -0.01 -0.57 1.32 -0.46 -2.79 0.00 0.00 177.10 174.59 1fqr n ASN 62 N 4.85 2.51 0.00 -4.21 6.94 -1.13 0.12 115.26 124.33 1fqr n ASN 62 Ca -0.08 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 1fqr n ASN 62 Cb 0.42 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1fqr n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fqr n GLY 63 N 1.14 0.94 0.00 4.83 0.00 -1.26 -4.80 105.19 106.04 1fqr n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1fqr n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fqr n HIS 64 N -2.00 0.00 0.00 1.61 8.25 -1.26 -4.73 115.22 117.09 1fqr n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fqr n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fqr n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fqr n ALA 65 N -1.60 0.00 -2.40 -1.41 0.00 -1.26 -4.90 120.51 108.93 1fqr n ALA 65 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1fqr n ALA 65 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 1fqr n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1fqr s PHE 66 N -2.00 3.67 -0.06 0.00 -0.71 -1.26 -2.84 117.98 114.78 1fqr s PHE 66 Ca 0.00 1.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.94 1fqr s PHE 66 Cb 0.00 -2.34 0.02 0.00 -1.21 0.00 0.00 43.02 39.49 1fqr s PHE 66 CO 0.00 0.52 -0.04 -0.80 -1.34 0.00 0.00 175.22 173.56 1fqr s ASN 67 N -1.48 1.23 -0.28 1.98 -0.87 0.22 -3.71 114.94 112.02 1fqr s ASN 67 Ca 0.32 -0.14 -0.12 0.00 -1.57 0.00 0.00 52.86 51.35 1fqr s ASN 67 Cb -0.16 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.25 40.52 1fqr s ASN 67 CO 0.18 -0.08 0.24 -0.69 -2.57 0.00 0.00 177.10 174.17 1fqr s VAL 68 N 1.18 5.28 0.10 1.60 1.01 -0.05 -0.03 120.40 129.49 1fqr s VAL 68 Ca -0.07 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1fqr s VAL 68 Cb -0.14 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1fqr s VAL 68 CO -0.01 0.21 0.50 -1.61 0.00 0.00 0.00 175.10 174.19 1fqr s GLU 69 N 1.83 3.97 0.13 2.72 0.41 0.03 -1.89 118.70 125.89 1fqr s GLU 69 Ca 0.09 0.46 0.09 0.00 -0.41 0.00 0.00 54.97 55.20 1fqr s GLU 69 Cb -0.16 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.11 1fqr s GLU 69 CO 0.11 0.55 -0.22 -0.06 -0.49 0.00 0.00 175.26 175.15 1fqr s PHE 70 N -1.33 1.98 -0.57 1.61 0.40 -0.35 0.07 117.98 119.79 1fqr s PHE 70 Ca 0.33 -0.41 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 1fqr s PHE 70 Cb -0.16 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.33 1fqr s PHE 70 CO 0.18 0.29 1.38 0.34 0.70 0.00 0.00 175.22 178.11 1fqr s ASP 71 N -2.13 6.17 -0.23 1.36 2.15 0.36 -4.82 116.67 119.53 1fqr s ASP 71 Ca 0.11 0.24 0.14 0.00 0.43 0.00 0.00 52.55 53.47 1fqr s ASP 71 Cb -0.09 -2.55 0.74 0.00 -0.30 0.00 0.00 42.92 40.72 1fqr s ASP 71 CO 0.06 -1.69 1.67 -0.90 -0.17 0.00 0.00 175.17 174.14 1fqr n ASP 72 N 9.43 5.20 0.27 -0.34 5.75 -1.26 -4.50 116.55 131.10 1fqr n ASP 72 Ca 0.12 -2.99 0.14 0.00 -0.01 0.00 0.00 54.79 52.04 1fqr n ASP 72 Cb 0.49 -0.65 0.73 0.00 -1.03 0.00 0.00 41.12 40.66 1fqr n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1fqr h SER 73 N 3.33 0.00 -4.37 -1.12 4.64 -1.95 -3.45 113.55 110.63 1fqr h SER 73 Ca 0.02 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.95 1fqr h SER 73 Cb 1.87 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.82 1fqr h SER 73 CO 0.44 0.11 -0.59 -1.10 -0.87 0.00 0.00 176.83 174.82 1fqr s GLN 74 N -4.08 1.52 -0.45 4.77 -0.21 -1.26 -5.05 119.66 114.90 1fqr s GLN 74 Ca -0.02 -1.84 -0.07 0.00 0.02 0.00 0.00 55.36 53.44 1fqr s GLN 74 Cb 0.12 -0.29 -0.22 0.00 1.00 0.00 0.00 33.01 33.63 1fqr s GLN 74 CO 0.57 -0.34 3.40 -0.25 -2.12 0.00 0.00 175.29 176.56 1fqr n ASP 75 N -0.67 6.14 0.07 5.90 10.43 -1.26 -4.53 116.55 132.64 1fqr n ASP 75 Ca -0.00 -2.49 -0.17 0.00 2.57 0.00 0.00 54.79 54.70 1fqr n ASP 75 Cb 0.66 -1.44 -0.14 0.00 1.84 0.00 0.00 41.12 42.04 1fqr n ASP 75 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1fqr h LYS 76 N 3.60 0.26 -3.46 -1.24 1.57 -1.88 -3.43 116.57 111.99 1fqr h LYS 76 Ca 0.38 -0.44 -0.56 0.00 -1.87 0.00 0.00 60.65 58.16 1fqr h LYS 76 Cb 1.16 0.16 -0.40 0.00 0.08 0.00 0.00 32.23 33.23 1fqr h LYS 76 CO 0.67 1.14 -0.76 0.00 -0.57 0.00 0.00 179.45 179.92 1fqr s ALA 77 N -2.63 1.25 0.32 3.86 0.00 -1.26 -3.07 121.76 120.24 1fqr s ALA 77 Ca -0.08 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.64 1fqr s ALA 77 Cb 0.07 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 1fqr s ALA 77 CO 0.86 -1.50 0.05 0.14 0.00 0.00 0.00 175.76 175.31 1fqr s VAL 78 N 1.75 1.21 -0.06 0.00 -7.23 -0.82 -1.18 120.40 114.07 1fqr s VAL 78 Ca 0.06 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1fqr s VAL 78 Cb -0.17 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1fqr s VAL 78 CO -0.21 -0.04 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.19 1fqr s LEU 79 N -3.47 1.68 0.00 1.32 2.96 0.50 -1.79 118.68 119.88 1fqr s LEU 79 Ca 0.36 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1fqr s LEU 79 Cb 0.08 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 1fqr s LEU 79 CO 0.15 0.05 0.41 0.29 -1.32 0.00 0.00 176.35 175.93 1fqr n LYS 80 N 3.71 0.59 0.00 1.98 5.02 0.15 -1.83 118.16 127.78 1fqr n LYS 80 Ca -0.22 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1fqr n LYS 80 Cb 0.52 2.51 0.00 0.00 -0.02 0.00 0.00 35.03 38.04 1fqr n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqr n GLY 81 N -0.55 -1.54 7.00 0.72 0.00 -1.26 0.73 105.19 110.29 1fqr n GLY 81 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1fqr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqr n GLY 82 N 0.00 2.83 0.39 -0.02 0.00 0.55 -0.54 105.19 108.41 1fqr n GLY 82 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1fqr n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fqr n PRO 83 N 14.00 1.53 -2.86 1.61 -0.04 -1.26 -3.43 135.00 144.56 1fqr n PRO 83 Ca 0.00 -0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 62.31 1fqr n PRO 83 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1fqr n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fqr s LEU 84 N -1.87 4.31 -0.19 1.53 1.43 0.30 -5.06 118.68 119.13 1fqr s LEU 84 Ca 0.38 1.73 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1fqr s LEU 84 Cb 0.20 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1fqr s LEU 84 CO 0.32 -0.06 -0.17 -1.81 0.23 0.00 0.00 176.35 174.85 1fqr s ASP 85 N -1.67 3.38 0.00 2.29 1.01 -1.26 -4.31 116.67 116.11 1fqr s ASP 85 Ca 0.49 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 53.16 1fqr s ASP 85 Cb -0.17 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.22 1fqr s ASP 85 CO 0.22 -0.00 0.00 0.61 0.21 0.00 0.00 175.17 176.21 1fqr n GLY 86 N 4.65 -1.79 3.56 0.21 0.00 -1.26 -4.94 105.19 105.61 1fqr n GLY 86 Ca -0.20 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1fqr n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqr s THR 87 N 0.00 3.70 -0.14 2.61 2.01 -1.26 -4.66 115.64 117.90 1fqr s THR 87 Ca 0.00 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1fqr s THR 87 Cb 0.00 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.99 1fqr s THR 87 CO 0.00 0.58 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.98 1fqr s TYR 88 N -0.55 2.64 -0.15 4.92 1.51 -0.76 -1.12 117.35 123.84 1fqr s TYR 88 Ca 0.08 -1.33 -0.17 0.00 -1.01 0.00 0.00 57.07 54.64 1fqr s TYR 88 Cb -0.12 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1fqr s TYR 88 CO 0.02 -0.61 0.45 1.03 -1.11 0.00 0.00 175.55 175.33 1fqr s ARG 89 N 0.83 4.28 0.04 -0.62 0.52 0.06 -0.37 118.95 123.70 1fqr s ARG 89 Ca -0.07 0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 1fqr s ARG 89 Cb -0.15 -3.47 -0.07 0.00 0.52 0.00 0.00 34.95 31.77 1fqr s ARG 89 CO -0.02 0.09 1.53 -1.17 0.02 0.00 0.00 175.30 175.74 1fqr s LEU 90 N 0.88 4.34 -0.06 2.53 2.96 -0.32 -1.03 118.68 127.97 1fqr s LEU 90 Ca 0.24 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 1fqr s LEU 90 Cb -0.15 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1fqr s LEU 90 CO 0.09 -0.80 -0.05 0.00 -1.32 0.00 0.00 176.35 174.27 1fqr n ILE 91 N 4.65 0.38 -3.58 6.68 3.06 0.95 -4.51 119.36 126.99 1fqr n ILE 91 Ca 0.14 -0.16 -0.13 0.00 -2.50 0.00 0.00 62.75 60.10 1fqr n ILE 91 Cb 0.42 -0.76 -0.05 0.00 0.54 0.00 0.00 39.64 39.79 1fqr n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1fqr s GLN 92 N -2.13 1.05 -0.05 9.51 -2.07 -1.16 -1.21 119.66 123.60 1fqr s GLN 92 Ca -0.08 -0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.15 1fqr s GLN 92 Cb 0.02 0.48 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1fqr s GLN 92 CO 0.16 -0.39 -0.07 0.42 -1.32 0.00 0.00 175.29 174.09 1fqr s ILE 93 N -2.74 0.74 0.23 3.63 1.01 -0.79 -0.27 121.20 123.01 1fqr s ILE 93 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1fqr s ILE 93 Cb -0.00 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1fqr s ILE 93 CO -0.04 0.26 0.17 -1.38 0.00 0.00 0.00 174.94 173.96 1fqr s HIS 94 N 0.75 1.29 -0.01 3.97 -3.43 -1.03 -0.87 115.29 115.97 1fqr s HIS 94 Ca -0.12 -1.44 0.04 0.00 -0.80 0.00 0.00 55.06 52.74 1fqr s HIS 94 Cb -0.14 -0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 30.41 1fqr s HIS 94 CO 0.01 -0.70 -0.12 1.41 -2.00 0.00 0.00 174.74 173.34 1fqr s MET 95 N -3.98 1.01 -0.18 -0.38 1.75 -1.24 -1.80 119.30 114.48 1fqr s MET 95 Ca 0.39 -0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 54.33 1fqr s MET 95 Cb 0.06 -0.97 -0.04 0.00 2.84 0.00 0.00 34.83 36.72 1fqr s MET 95 CO 0.16 0.25 0.03 -1.01 -0.65 0.00 0.00 175.02 173.81 1fqr s HIS 96 N -0.25 3.18 0.09 4.11 3.76 -0.38 -4.66 115.29 121.13 1fqr s HIS 96 Ca 0.04 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1fqr s HIS 96 Cb -0.05 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 1fqr s HIS 96 CO -0.00 0.07 -0.07 0.54 -0.85 0.00 0.00 174.74 174.43 1fqr s VAL 97 N 0.43 0.68 0.34 -0.90 0.11 -1.25 -1.42 120.40 118.39 1fqr s VAL 97 Ca 0.01 -1.73 0.04 0.00 -2.93 0.00 0.00 61.98 57.37 1fqr s VAL 97 Cb -0.13 -1.43 0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1fqr s VAL 97 CO 0.01 -0.74 0.36 0.61 -3.33 0.00 0.00 175.10 172.01 1fqr n GLY 98 N 0.32 2.41 0.03 6.54 0.00 -1.14 -0.04 105.19 113.30 1fqr n GLY 98 Ca -0.15 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.76 1fqr n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fqr n SER 99 N -2.25 0.37 -4.10 1.61 3.41 -1.26 -4.16 113.62 107.24 1fqr n SER 99 Ca 0.04 -0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.35 1fqr n SER 99 Cb 0.37 1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 65.63 1fqr n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fqr s LEU 100 N -4.32 2.20 0.57 1.04 1.43 -1.26 -5.03 118.68 113.31 1fqr s LEU 100 Ca -0.03 -0.47 0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1fqr s LEU 100 Cb 0.14 -0.39 1.44 0.00 0.03 0.00 0.00 46.19 47.41 1fqr s LEU 100 CO 0.87 -0.06 1.84 0.44 0.23 0.00 0.00 176.35 179.66 1fqr h ASP 101 N 4.81 0.00 -0.04 2.29 5.19 -1.91 -0.03 116.42 126.73 1fqr h ASP 101 Ca -0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1fqr h ASP 101 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1fqr h ASP 101 CO 0.43 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.16 1fqr n GLY 102 N -1.60 -0.75 3.49 2.75 0.00 -1.26 -2.90 105.19 104.91 1fqr n GLY 102 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1fqr n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fqr s GLN 103 N -1.94 1.34 0.00 1.61 -2.07 -0.03 -4.54 119.66 114.03 1fqr s GLN 103 Ca 0.19 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.82 1fqr s GLN 103 Cb 0.09 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1fqr s GLN 103 CO 0.14 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 1fqr n GLY 104 N -0.32 3.48 3.81 2.60 0.00 -1.04 -3.28 105.19 110.44 1fqr n GLY 104 Ca -0.10 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1fqr n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fqr s SER 105 N 0.00 5.29 -0.22 1.61 1.04 -0.67 -3.76 113.70 117.00 1fqr s SER 105 Ca 0.00 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 1fqr s SER 105 Cb 0.00 -2.51 -0.19 0.00 0.10 0.00 0.00 66.02 63.43 1fqr s SER 105 CO 0.00 -1.50 -0.00 -0.62 0.98 0.00 0.00 173.24 172.09 1fqr n GLU 106 N -3.00 0.64 -2.90 4.02 1.02 -1.26 -4.83 120.64 114.33 1fqr n GLU 106 Ca 0.08 0.32 -0.31 0.00 -0.02 0.00 0.00 57.16 57.22 1fqr n GLU 106 Cb 0.53 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 1fqr n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1fqr s HIS 107 N -2.49 3.42 0.13 -0.32 3.76 -1.26 -4.31 115.29 114.23 1fqr s HIS 107 Ca -0.31 1.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.83 1fqr s HIS 107 Cb 0.09 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1fqr s HIS 107 CO 0.61 -0.07 -0.10 0.95 -0.85 0.00 0.00 174.74 175.29 1fqr s THR 108 N -2.25 1.08 -0.20 1.30 -4.23 -1.19 -4.70 115.64 105.46 1fqr s THR 108 Ca 0.54 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1fqr s THR 108 Cb -0.10 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 72.00 1fqr s THR 108 CO 0.25 -0.74 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.77 1fqr s VAL 109 N -3.27 1.77 -1.29 2.29 1.01 -0.71 0.18 120.40 120.38 1fqr s VAL 109 Ca 0.15 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1fqr s VAL 109 Cb 0.02 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1fqr s VAL 109 CO -0.00 0.25 0.62 0.47 0.00 0.00 0.00 175.10 176.44 1fqr n ASP 110 N 4.66 -2.23 0.00 3.32 8.00 0.63 -0.66 116.55 130.27 1fqr n ASP 110 Ca -0.16 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1fqr n ASP 110 Cb 0.47 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1fqr n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fqr n LYS 111 N -4.28 0.00 -2.51 -1.24 4.76 -1.26 -4.94 118.16 108.69 1fqr n LYS 111 Ca -0.24 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.79 1fqr n LYS 111 Cb 0.65 -4.04 -0.03 0.00 -1.84 0.00 0.00 35.03 29.77 1fqr n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1fqr s LYS 112 N -0.34 4.48 -0.08 1.97 2.36 0.16 -4.99 119.74 123.30 1fqr s LYS 112 Ca 0.00 1.67 -0.04 0.00 -2.55 0.00 0.00 55.97 55.05 1fqr s LYS 112 Cb 0.00 -3.38 -0.04 0.00 -1.05 0.00 0.00 37.83 33.37 1fqr s LYS 112 CO 0.00 -0.18 0.09 0.15 1.55 0.00 0.00 175.35 176.96 1fqr s LYS 113 N 0.97 3.23 0.41 4.03 1.02 -1.26 -1.74 119.74 126.40 1fqr s LYS 113 Ca 0.56 -0.30 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1fqr s LYS 113 Cb -0.27 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1fqr s LYS 113 CO 0.29 0.72 0.60 0.71 -0.92 0.00 0.00 175.35 176.75 1fqr s TYR 114 N -1.05 3.18 0.57 3.18 2.02 -1.26 -4.48 117.35 119.51 1fqr s TYR 114 Ca 0.17 0.07 0.35 0.00 -0.37 0.00 0.00 57.07 57.29 1fqr s TYR 114 Cb -0.12 -2.20 1.99 0.00 -0.40 0.00 0.00 41.96 41.22 1fqr s TYR 114 CO 0.07 -0.24 2.27 0.00 -1.57 0.00 0.00 175.55 176.08 1fqr h ALA 115 N 0.57 1.27 -1.88 3.71 0.00 -1.32 -1.70 119.26 119.91 1fqr h ALA 115 Ca -0.46 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.68 1fqr h ALA 115 Cb 1.25 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1fqr h ALA 115 CO 0.56 0.02 0.66 0.00 0.00 0.00 0.00 179.25 180.49 1fqr s ALA 116 N -4.35 -1.95 -0.07 0.00 0.00 -1.20 -2.89 121.76 111.29 1fqr s ALA 116 Ca -0.04 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1fqr s ALA 116 Cb 0.14 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.78 1fqr s ALA 116 CO 0.50 -1.03 0.15 -2.00 0.00 0.00 0.00 175.76 173.39 1fqr s GLU 117 N -2.84 0.07 -0.02 0.00 2.12 -0.51 -0.21 118.70 117.31 1fqr s GLU 117 Ca 0.13 0.44 -0.15 0.00 0.36 0.00 0.00 54.97 55.75 1fqr s GLU 117 Cb 0.02 -0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.14 1fqr s GLU 117 CO -0.01 -0.22 0.41 -1.17 -0.54 0.00 0.00 175.26 173.73 1fqr s LEU 118 N 1.58 4.45 -0.21 2.70 2.96 0.83 -1.25 118.68 129.74 1fqr s LEU 118 Ca -0.05 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1fqr s LEU 118 Cb -0.12 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.03 1fqr s LEU 118 CO -0.06 0.29 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.13 1fqr s HIS 119 N -0.88 2.67 -0.44 5.38 3.76 -0.74 -1.04 115.29 124.00 1fqr s HIS 119 Ca 0.24 -1.75 -0.12 0.00 -0.15 0.00 0.00 55.06 53.27 1fqr s HIS 119 Cb -0.16 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.84 1fqr s HIS 119 CO 0.13 -0.78 0.31 -0.51 -0.85 0.00 0.00 174.74 173.04 1fqr s LEU 120 N 1.31 5.31 -0.17 0.89 1.02 0.21 -2.45 118.68 124.79 1fqr s LEU 120 Ca -0.01 -1.35 -0.23 0.00 0.02 0.00 0.00 54.13 52.56 1fqr s LEU 120 Cb -0.16 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 1fqr s LEU 120 CO -0.09 -0.56 0.73 -0.69 0.02 0.00 0.00 176.35 175.76 1fqr s VAL 121 N 1.54 4.96 0.14 -1.59 1.01 0.62 -0.88 120.40 126.20 1fqr s VAL 121 Ca 0.03 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1fqr s VAL 121 Cb -0.23 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1fqr s VAL 121 CO 0.05 0.09 -0.18 -1.00 0.00 0.00 0.00 175.10 174.06 1fqr s HIS 122 N 1.91 1.69 0.02 5.22 3.76 -0.82 -0.03 115.29 127.03 1fqr s HIS 122 Ca 0.34 -0.48 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 1fqr s HIS 122 Cb -0.16 -0.87 -0.02 0.00 1.11 0.00 0.00 32.58 32.64 1fqr s HIS 122 CO 0.12 0.25 -0.12 1.67 -0.85 0.00 0.00 174.74 175.80 1fqr s TRP 123 N -1.84 1.07 -0.04 1.40 1.48 -0.20 -1.23 118.94 119.58 1fqr s TRP 123 Ca 0.11 -0.30 -0.29 0.00 -1.06 0.00 0.00 56.10 54.56 1fqr s TRP 123 Cb -0.07 -0.66 -0.08 0.00 -1.16 0.00 0.00 33.47 31.51 1fqr s TRP 123 CO 0.05 0.01 2.06 1.21 -4.06 0.00 0.00 176.95 176.21 1fqr s ASN 124 N -0.82 6.13 0.05 -2.66 3.84 0.24 -0.76 114.94 120.95 1fqr s ASN 124 Ca 0.02 2.44 0.10 0.00 0.21 0.00 0.00 52.86 55.62 1fqr s ASN 124 Cb -0.07 -2.52 0.43 0.00 -0.55 0.00 0.00 41.25 38.54 1fqr s ASN 124 CO 0.01 -1.35 1.30 0.35 -2.79 0.00 0.00 177.10 174.62 1fqr n THR 125 N 6.25 1.42 1.76 -5.21 -2.24 -0.27 -1.65 114.28 114.35 1fqr n THR 125 Ca 0.23 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 1fqr n THR 125 Cb 0.42 -1.29 0.70 0.00 -2.10 0.00 0.00 70.33 68.06 1fqr n THR 125 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fqr n LYS 127 N -1.62 0.88 -0.03 -0.78 2.85 -1.26 -3.30 118.16 114.89 1fqr n LYS 127 Ca 0.01 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.29 1fqr n LYS 127 Cb 0.09 -1.42 0.04 0.00 -0.65 0.00 0.00 35.03 33.09 1fqr n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1fqr n TYR 128 N -0.92 0.09 0.00 5.58 4.01 -0.66 -5.04 117.16 120.22 1fqr n TYR 128 Ca 0.18 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1fqr n TYR 128 Cb 0.08 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1fqr n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fqr n GLY 129 N -0.02 1.70 3.72 2.72 0.00 -1.21 -4.46 105.19 107.63 1fqr n GLY 129 Ca 0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1fqr n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fqr s ASP 130 N 0.00 -0.18 0.16 1.61 1.47 -1.26 -5.05 116.67 113.42 1fqr s ASP 130 Ca 0.00 -0.75 -0.16 0.00 1.18 0.00 0.00 52.55 52.82 1fqr s ASP 130 Cb 0.00 0.66 0.09 0.00 -0.34 0.00 0.00 42.92 43.33 1fqr s ASP 130 CO 0.00 -1.24 1.71 0.15 0.68 0.00 0.00 175.17 176.47 1fqr h PHE 131 N 2.13 0.03 -1.00 2.11 3.57 -1.94 -0.35 116.94 121.49 1fqr h PHE 131 Ca -0.23 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.44 1fqr h PHE 131 Cb 1.25 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.94 1fqr h PHE 131 CO 0.41 -0.04 0.62 0.78 -2.23 0.00 0.00 178.31 177.85 1fqr h GLY 132 N 0.14 1.67 1.44 2.40 0.00 -1.97 -1.02 103.07 105.73 1fqr h GLY 132 Ca 0.18 -0.40 -0.26 0.00 0.00 0.00 0.00 47.33 46.85 1fqr h GLY 132 CO -0.28 0.10 -1.09 0.50 0.00 0.00 0.00 176.54 175.77 1fqr h LYS 133 N 0.92 0.47 -0.83 4.80 1.57 -1.71 -3.33 116.57 118.47 1fqr h LYS 133 Ca 0.52 -0.59 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1fqr h LYS 133 Cb 0.60 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1fqr h LYS 133 CO -0.30 1.22 0.55 0.00 -0.57 0.00 0.00 179.45 180.35 1fqr h ALA 134 N 0.56 1.05 0.00 3.86 0.00 0.12 -2.32 119.26 122.52 1fqr h ALA 134 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fqr h ALA 134 Cb 1.75 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1fqr h ALA 134 CO 0.20 0.45 0.00 1.33 0.00 0.00 0.00 179.25 181.23 1fqr n VAL 135 N -4.51 1.60 0.71 0.00 0.24 -0.51 -1.30 118.33 114.56 1fqr n VAL 135 Ca 0.09 0.40 0.10 0.00 -2.04 0.00 0.00 64.34 62.89 1fqr n VAL 135 Cb 0.02 -1.30 0.28 0.00 -1.47 0.00 0.00 33.84 31.36 1fqr n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fqr n GLN 136 N -1.50 2.09 -5.02 7.34 6.02 -0.87 -4.66 117.38 120.78 1fqr n GLN 136 Ca 0.01 -1.66 -0.31 0.00 -0.01 0.00 0.00 57.00 55.03 1fqr n GLN 136 Cb 0.07 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.75 1fqr n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1fqr s GLN 137 N -1.57 2.08 0.60 -1.09 -1.52 -0.42 -5.02 119.66 112.72 1fqr s GLN 137 Ca 0.34 -0.95 0.37 0.00 -1.95 0.00 0.00 55.36 53.17 1fqr s GLN 137 Cb 0.19 -2.10 2.02 0.00 -0.22 0.00 0.00 33.01 32.89 1fqr s GLN 137 CO 0.27 0.55 2.13 -1.35 -0.25 0.00 0.00 175.29 176.64 1fqr h PRO 138 N 5.11 0.00 -0.17 2.91 0.11 -1.85 -1.67 132.00 136.45 1fqr h PRO 138 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1fqr h PRO 138 Cb 1.14 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.96 1fqr h PRO 138 CO 0.47 0.00 -0.87 -0.40 -0.21 0.00 0.00 178.00 176.99 1fqr n ASP 139 N -2.87 1.79 0.08 -2.05 5.75 -1.26 -4.18 116.55 113.82 1fqr n ASP 139 Ca -0.02 -2.77 -0.09 0.00 -0.01 0.00 0.00 54.79 51.89 1fqr n ASP 139 Cb 0.14 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 1fqr n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1fqr h GLY 140 N 1.43 0.17 -2.55 6.12 0.00 -0.93 -3.43 103.07 103.88 1fqr h GLY 140 Ca -0.07 -0.34 -0.59 0.00 0.00 0.00 0.00 47.33 46.32 1fqr h GLY 140 CO 0.17 0.30 -0.71 1.08 0.00 0.00 0.00 176.54 177.38 1fqr s LEU 141 N -7.19 2.89 -0.23 3.11 1.43 0.22 0.82 118.68 119.73 1fqr s LEU 141 Ca -0.02 -0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1fqr s LEU 141 Cb 0.10 -1.43 0.08 0.00 0.03 0.00 0.00 46.19 44.97 1fqr s LEU 141 CO 0.83 0.03 0.13 0.00 0.23 0.00 0.00 176.35 177.58 1fqr s ALA 142 N -2.29 0.38 -0.16 4.21 0.00 -0.37 -1.36 121.76 122.16 1fqr s ALA 142 Ca 0.30 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1fqr s ALA 142 Cb -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1fqr s ALA 142 CO 0.17 -1.40 0.04 0.08 0.00 0.00 0.00 175.76 174.66 1fqr s VAL 143 N 2.16 4.64 -0.30 0.00 1.01 -1.04 -1.94 120.40 124.92 1fqr s VAL 143 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1fqr s VAL 143 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1fqr s VAL 143 CO -0.22 0.49 0.36 -0.22 0.00 0.00 0.00 175.10 175.51 1fqr s LEU 144 N 0.16 4.18 -0.20 3.92 2.96 -0.06 -1.50 118.68 128.15 1fqr s LEU 144 Ca 0.04 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1fqr s LEU 144 Cb -0.12 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1fqr s LEU 144 CO 0.01 -0.24 0.03 -0.83 -1.32 0.00 0.00 176.35 174.01 1fqr s GLY 145 N 1.69 1.80 -0.16 7.98 0.00 0.37 -0.62 107.32 118.37 1fqr s GLY 145 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1fqr s GLY 145 CO 0.11 0.18 -0.17 -0.42 0.00 0.00 0.00 173.10 172.79 1fqr s ILE 146 N 0.78 1.82 0.41 0.90 1.01 -0.21 -1.59 121.20 124.32 1fqr s ILE 146 Ca 0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 1fqr s ILE 146 Cb -0.14 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 1fqr s ILE 146 CO 0.02 0.50 1.05 -0.36 0.00 0.00 0.00 174.94 176.15 1fqr s PHE 147 N 1.37 3.23 -0.08 3.97 0.08 -1.26 -0.12 117.98 125.16 1fqr s PHE 147 Ca 0.05 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.75 1fqr s PHE 147 Cb -0.13 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.18 1fqr s PHE 147 CO -0.11 -0.65 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.70 1fqr s LEU 148 N -2.76 2.67 -0.01 -0.37 1.02 0.70 -0.54 118.68 119.39 1fqr s LEU 148 Ca 0.59 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 54.48 1fqr s LEU 148 Cb -0.21 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1fqr s LEU 148 CO 0.26 0.27 -0.03 -0.75 0.02 0.00 0.00 176.35 176.12 1fqr s LYS 149 N -0.28 0.31 0.22 1.70 2.20 -0.02 -2.27 119.74 121.60 1fqr s LYS 149 Ca 0.02 -0.10 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 1fqr s LYS 149 Cb -0.13 -0.34 -0.11 0.00 -1.51 0.00 0.00 37.83 35.75 1fqr s LYS 149 CO 0.03 0.04 1.58 0.08 -0.36 0.00 0.00 175.35 176.72 1fqr s VAL 150 N 0.13 2.37 0.00 4.02 1.01 -1.25 -0.73 120.40 125.95 1fqr s VAL 150 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1fqr s VAL 150 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1fqr s VAL 150 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1fqr n GLY 151 N 3.14 -0.40 3.77 4.51 0.00 0.14 -4.77 105.19 111.58 1fqr n GLY 151 Ca 0.12 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 1fqr n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fqr s SER 152 N -4.00 7.21 0.36 1.61 1.04 -1.26 -3.70 113.70 114.95 1fqr s SER 152 Ca 0.00 2.11 -0.28 0.00 0.48 0.00 0.00 55.95 58.26 1fqr s SER 152 Cb 0.00 -2.61 -0.12 0.00 0.10 0.00 0.00 66.02 63.40 1fqr s SER 152 CO 0.00 -0.17 1.43 0.00 0.98 0.00 0.00 173.24 175.48 1fqr n ALA 153 N 0.85 2.03 -2.54 5.32 0.00 -1.26 -3.18 120.51 121.73 1fqr n ALA 153 Ca 0.01 0.35 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1fqr n ALA 153 Cb 0.47 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 1fqr n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1fqr s LYS 154 N -1.87 3.49 0.23 0.00 2.47 -1.23 -4.84 119.74 117.99 1fqr s LYS 154 Ca 0.55 -0.40 -0.07 0.00 -1.56 0.00 0.00 55.97 54.49 1fqr s LYS 154 Cb -0.51 -3.84 0.28 0.00 -1.46 0.00 0.00 37.83 32.30 1fqr s LYS 154 CO 0.62 -0.64 1.86 -1.35 0.16 0.00 0.00 175.35 176.00 1fqr h PRO 155 N 8.52 0.94 0.00 4.03 0.11 -1.92 -1.63 132.00 142.06 1fqr h PRO 155 Ca -0.28 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1fqr h PRO 155 Cb 1.13 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1fqr h PRO 155 CO 0.74 0.62 -0.03 0.78 -0.21 0.00 0.00 178.00 179.91 1fqr h GLY 156 N 0.97 0.00 0.65 -0.55 0.00 -1.93 -1.78 103.07 100.43 1fqr h GLY 156 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1fqr h GLY 156 CO -0.14 0.00 -1.51 1.04 0.00 0.00 0.00 176.54 175.93 1fqr n LEU 157 N -3.47 0.56 0.26 3.11 4.77 -0.68 -4.05 117.00 117.51 1fqr n LEU 157 Ca -0.02 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1fqr n LEU 157 Cb 0.13 0.05 0.73 0.00 -2.33 0.00 0.00 43.42 42.00 1fqr n LEU 157 CO 0.25 0.03 1.09 -0.61 -1.33 0.00 0.00 177.39 176.82 1fqr h GLN 158 N 0.00 0.00 -0.76 3.23 5.75 -0.56 -0.05 115.11 122.72 1fqr h GLN 158 Ca -0.10 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1fqr h GLN 158 Cb 1.30 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.82 1fqr h GLN 158 CO 0.02 0.00 0.29 0.87 -2.65 0.00 0.00 178.83 177.36 1fqr h LYS 159 N 0.00 1.14 -0.14 1.69 1.79 -1.70 -0.91 116.57 118.45 1fqr h LYS 159 Ca 0.01 -0.21 -0.15 0.00 -2.18 0.00 0.00 60.65 58.11 1fqr h LYS 159 Cb 0.04 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1fqr h LYS 159 CO -0.00 0.94 -0.51 0.28 -1.08 0.00 0.00 179.45 179.08 1fqr h VAL 160 N 1.10 1.34 -0.89 0.50 2.07 -1.30 -3.21 116.25 115.86 1fqr h VAL 160 Ca 0.25 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.10 1fqr h VAL 160 Cb 0.23 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.99 1fqr h VAL 160 CO -0.02 0.55 0.52 0.58 0.02 0.00 0.00 177.57 179.21 1fqr h VAL 161 N 0.23 0.87 0.00 2.57 2.07 -0.83 -1.58 116.25 119.58 1fqr h VAL 161 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1fqr h VAL 161 Cb 1.14 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1fqr h VAL 161 CO 0.11 0.15 0.00 0.47 0.02 0.00 0.00 177.57 178.32 1fqr n ASP 162 N -4.73 0.00 -0.04 0.57 8.00 -0.37 -2.96 116.55 117.02 1fqr n ASP 162 Ca 0.16 0.36 0.02 0.00 0.71 0.00 0.00 54.79 56.03 1fqr n ASP 162 Cb 0.34 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 1fqr n ASP 162 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1fqr n VAL 163 N -1.42 0.00 -0.19 2.53 3.14 -0.63 -4.68 118.33 117.07 1fqr n VAL 163 Ca 0.04 -0.43 0.19 0.00 -2.96 0.00 0.00 64.34 61.18 1fqr n VAL 163 Cb 0.14 1.02 0.54 0.00 -1.06 0.00 0.00 33.84 34.48 1fqr n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1fqr h LEU 164 N 0.18 0.33 -0.89 6.55 3.38 -1.36 -1.06 115.31 122.45 1fqr h LEU 164 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1fqr h LEU 164 Cb 0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1fqr h LEU 164 CO 0.00 0.15 0.58 0.44 0.09 0.00 0.00 178.44 179.70 1fqr h ASP 165 N 0.34 0.99 0.89 -0.43 3.32 -1.83 -2.43 116.42 117.27 1fqr h ASP 165 Ca 0.42 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1fqr h ASP 165 Cb 1.11 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1fqr h ASP 165 CO -0.13 0.70 0.00 -1.54 -1.72 0.00 0.00 179.24 176.55 1fqr n SER 166 N -4.49 0.31 -1.32 6.45 3.41 -0.40 -3.34 113.62 114.24 1fqr n SER 166 Ca 0.10 0.55 -0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1fqr n SER 166 Cb 0.05 -0.63 0.11 0.00 -0.26 0.00 0.00 64.21 63.48 1fqr n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1fqr n ILE 167 N -1.82 1.52 -0.31 -1.33 -5.35 -0.95 -4.63 119.36 106.50 1fqr n ILE 167 Ca 0.05 -2.72 0.06 0.00 -0.27 0.00 0.00 62.75 59.87 1fqr n ILE 167 Cb 0.28 0.14 0.22 0.00 -1.74 0.00 0.00 39.64 38.54 1fqr n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1fqr h LYS 168 N 1.36 0.71 -6.22 6.28 3.64 -1.46 -3.42 116.57 117.45 1fqr h LYS 168 Ca -0.02 -0.04 -0.48 0.00 -1.27 0.00 0.00 60.65 58.83 1fqr h LYS 168 Cb 1.38 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1fqr h LYS 168 CO 0.17 0.47 -0.43 0.95 -2.27 0.00 0.00 179.45 178.33 1fqr s THR 169 N -5.98 3.78 0.25 1.00 -4.23 -1.26 -0.06 115.64 109.14 1fqr s THR 169 Ca -0.12 -1.28 -0.31 0.00 -1.18 0.00 0.00 61.69 58.80 1fqr s THR 169 Cb 0.21 -3.27 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 1fqr s THR 169 CO 0.78 -0.19 1.64 -0.75 -0.54 0.00 0.00 174.62 175.56 1fqr s LYS 170 N -4.02 4.14 0.00 3.99 2.20 0.14 -2.48 119.74 123.72 1fqr s LYS 170 Ca 0.41 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 1fqr s LYS 170 Cb -0.07 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1fqr s LYS 170 CO 0.27 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1fqr n GLY 171 N 3.03 2.51 3.77 5.54 0.00 0.32 -4.52 105.19 115.85 1fqr n GLY 171 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1fqr n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqr s LYS 172 N -0.88 4.45 0.05 1.61 -0.14 -1.03 -4.86 119.74 118.93 1fqr s LYS 172 Ca 0.00 1.55 -0.05 0.00 -1.36 0.00 0.00 55.97 56.11 1fqr s LYS 172 Cb 0.00 -2.84 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 1fqr s LYS 172 CO 0.00 0.11 0.07 -1.54 -0.76 0.00 0.00 175.35 173.23 1fqr s SER 173 N -1.35 0.25 0.06 2.83 1.04 -1.26 -1.57 113.70 113.69 1fqr s SER 173 Ca 0.51 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 1fqr s SER 173 Cb -0.24 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1fqr s SER 173 CO 0.31 -0.55 0.04 0.00 0.98 0.00 0.00 173.24 174.02 1fqr s ALA 174 N -3.01 0.25 0.29 5.32 0.00 -0.30 -4.93 121.76 119.39 1fqr s ALA 174 Ca -0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1fqr s ALA 174 Cb 0.01 0.31 -0.10 0.00 0.00 0.00 0.00 23.12 23.35 1fqr s ALA 174 CO -0.06 -0.39 1.25 0.34 0.00 0.00 0.00 175.76 176.90 1fqr s ASP 175 N -2.75 6.93 -0.31 0.00 -1.08 -1.26 -0.75 116.67 117.46 1fqr s ASP 175 Ca 0.04 2.51 0.19 0.00 -0.52 0.00 0.00 52.55 54.77 1fqr s ASP 175 Cb 0.05 -2.63 0.47 0.00 -1.46 0.00 0.00 42.92 39.35 1fqr s ASP 175 CO -0.09 -0.43 1.02 0.33 0.52 0.00 0.00 175.17 176.52 1fqr n PHE 176 N 1.32 0.97 -1.97 -5.34 7.35 0.44 -4.65 117.46 115.58 1fqr n PHE 176 Ca 0.01 -2.56 -0.30 0.00 -0.76 0.00 0.00 57.45 53.84 1fqr n PHE 176 Cb 0.43 -0.22 0.02 0.00 0.35 0.00 0.00 39.48 40.06 1fqr n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1fqr s THR 177 N -3.11 4.17 -1.20 -2.13 -4.23 -1.19 -3.93 115.64 104.02 1fqr s THR 177 Ca 0.26 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1fqr s THR 177 Cb 0.42 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1fqr s THR 177 CO 0.01 -0.88 0.00 0.59 -0.54 0.00 0.00 174.62 173.80 1fqr n ASN 178 N -2.81 -4.24 -4.64 3.99 3.02 -1.26 -4.98 115.26 104.34 1fqr n ASN 178 Ca 0.06 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 1fqr n ASN 178 Cb 0.56 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 36.37 1fqr n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fqr s PHE 179 N -2.60 3.29 -0.40 3.10 5.36 -1.26 -5.05 117.98 120.42 1fqr s PHE 179 Ca 0.00 0.24 -0.16 0.00 -0.96 0.00 0.00 56.93 56.06 1fqr s PHE 179 Cb 0.00 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.35 1fqr s PHE 179 CO 0.00 -0.02 0.37 0.34 -1.46 0.00 0.00 175.22 174.45 1fqr s ASP 180 N 1.27 6.15 0.16 6.13 3.68 -1.26 -4.40 116.67 128.39 1fqr s ASP 180 Ca 0.09 -0.66 0.17 0.00 2.13 0.00 0.00 52.55 54.28 1fqr s ASP 180 Cb -0.14 -2.19 0.77 0.00 -1.45 0.00 0.00 42.92 39.90 1fqr s ASP 180 CO 0.07 -0.47 1.53 -0.81 0.13 0.00 0.00 175.17 175.61 1fqr n PRO 181 N 5.38 0.10 0.29 4.34 -0.04 -1.26 -2.84 135.00 140.97 1fqr n PRO 181 Ca -0.09 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1fqr n PRO 181 Cb 0.48 -1.73 0.84 0.00 -0.04 0.00 0.00 33.50 33.05 1fqr n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fqr h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.72 114.38 114.36 1fqr h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fqr h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1fqr h ARG 182 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1fqr n GLY 183 N -1.35 -0.85 0.72 0.04 0.00 -1.13 -3.00 105.19 99.61 1fqr n GLY 183 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.00 1fqr n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fqr n LEU 184 N -0.74 2.51 -4.90 0.99 4.77 -0.64 -3.80 117.00 115.17 1fqr n LEU 184 Ca 0.10 -1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 54.76 1fqr n LEU 184 Cb 0.04 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1fqr n LEU 184 CO 0.07 0.45 0.12 -0.76 -1.33 0.00 0.00 177.39 175.94 1fqr s LEU 185 N -1.47 4.16 0.00 2.23 1.43 -1.16 -4.93 118.68 118.94 1fqr s LEU 185 Ca 0.21 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1fqr s LEU 185 Cb 0.15 -3.42 0.14 0.00 0.03 0.00 0.00 46.19 43.09 1fqr s LEU 185 CO 0.22 -0.09 0.87 -0.81 0.23 0.00 0.00 176.35 176.77 1fqr n PRO 186 N -0.54 -0.47 0.01 1.29 -0.04 -1.26 -4.98 135.00 129.01 1fqr n PRO 186 Ca -0.02 -1.75 -0.13 0.00 -0.04 0.00 0.00 63.50 61.56 1fqr n PRO 186 Cb 0.53 -0.76 -0.09 0.00 -0.04 0.00 0.00 33.50 33.14 1fqr n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1fqr h GLU 187 N 0.00 -0.03 -6.65 0.54 5.08 -1.90 -3.44 114.58 108.17 1fqr h GLU 187 Ca -0.28 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1fqr h GLU 187 Cb 0.89 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1fqr h GLU 187 CO 0.24 0.30 0.26 0.45 -1.00 0.00 0.00 179.01 179.27 1fqr s SER 188 N -5.50 7.47 -0.06 1.42 0.15 -1.26 -4.98 113.70 110.94 1fqr s SER 188 Ca -0.15 1.77 0.17 0.00 0.70 0.00 0.00 55.95 58.45 1fqr s SER 188 Cb 0.03 -2.55 0.58 0.00 -1.71 0.00 0.00 66.02 62.37 1fqr s SER 188 CO 0.66 0.15 1.49 0.18 1.20 0.00 0.00 173.24 176.92 1fqr n LEU 189 N 1.39 3.98 -4.76 3.45 4.77 -1.26 -4.73 117.00 119.84 1fqr n LEU 189 Ca -0.03 -2.26 -0.40 0.00 -0.03 0.00 0.00 56.01 53.29 1fqr n LEU 189 Cb 0.48 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1fqr n LEU 189 CO 0.47 0.83 1.07 0.47 -1.33 0.00 0.00 177.39 178.90 1fqr n ASP 190 N 0.96 3.38 -3.98 -1.43 8.00 -1.26 -4.89 116.55 117.32 1fqr n ASP 190 Ca 0.21 1.15 -0.10 0.00 0.71 0.00 0.00 54.79 56.77 1fqr n ASP 190 Cb 0.70 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 1fqr n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1fqr s TYR 191 N -1.17 0.40 0.11 1.24 -0.85 -1.26 -1.38 117.35 114.44 1fqr s TYR 191 Ca 0.59 -0.75 0.09 0.00 -0.52 0.00 0.00 57.07 56.49 1fqr s TYR 191 Cb -0.46 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 1fqr s TYR 191 CO 0.59 -0.88 -0.21 -1.58 -1.52 0.00 0.00 175.55 171.95 1fqr s TRP 192 N -4.00 2.46 -0.05 -3.49 0.51 -0.32 -0.91 118.94 113.14 1fqr s TRP 192 Ca 0.21 -0.30 -0.09 0.00 -2.12 0.00 0.00 56.10 53.80 1fqr s TRP 192 Cb 0.01 -1.33 0.02 0.00 -0.81 0.00 0.00 33.47 31.36 1fqr s TRP 192 CO 0.06 0.35 0.21 -0.08 -0.51 0.00 0.00 176.95 176.98 1fqr s THR 193 N -1.09 0.03 0.04 2.01 -1.32 0.67 -1.19 115.64 114.80 1fqr s THR 193 Ca 0.16 -0.29 -0.27 0.00 -1.21 0.00 0.00 61.69 60.09 1fqr s THR 193 Cb -0.10 -0.40 0.08 0.00 -1.51 0.00 0.00 72.50 70.57 1fqr s THR 193 CO 0.08 -0.16 0.71 -0.72 -2.21 0.00 0.00 174.62 172.33 1fqr s TYR 194 N -0.57 -0.52 -0.06 9.09 1.13 -1.10 -1.34 117.35 123.98 1fqr s TYR 194 Ca -0.07 0.56 -0.30 0.00 -1.41 0.00 0.00 57.07 55.85 1fqr s TYR 194 Cb -0.04 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1fqr s TYR 194 CO 0.01 -0.68 1.08 -1.25 -2.51 0.00 0.00 175.55 172.20 1fqr s PRO 195 N -2.68 4.43 0.00 -3.49 0.04 -1.26 -1.55 135.00 130.48 1fqr s PRO 195 Ca -0.02 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1fqr s PRO 195 Cb -0.01 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1fqr s PRO 195 CO -0.05 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1fqr n GLY 196 N 3.15 5.25 2.42 0.56 0.00 0.73 -4.80 105.19 112.50 1fqr n GLY 196 Ca 0.09 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 1fqr n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fqr n SER 197 N 0.00 0.36 -4.79 1.61 3.41 -1.06 -2.31 113.62 110.83 1fqr n SER 197 Ca 0.00 -2.61 -0.33 0.00 -0.26 0.00 0.00 58.87 55.67 1fqr n SER 197 Cb 0.00 0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1fqr n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fqr s LEU 198 N 0.00 3.63 0.00 1.04 1.43 -0.14 -4.49 118.68 120.15 1fqr s LEU 198 Ca 0.22 1.91 0.25 0.00 -1.03 0.00 0.00 54.13 55.48 1fqr s LEU 198 Cb 0.01 -4.55 0.45 0.00 0.03 0.00 0.00 46.19 42.13 1fqr s LEU 198 CO 0.16 -1.09 1.40 0.35 0.23 0.00 0.00 176.35 177.39 1fqr n THR 199 N -1.64 0.00 -4.30 5.49 -2.24 -1.26 -4.46 114.28 105.86 1fqr n THR 199 Ca 0.09 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 1fqr n THR 199 Cb 0.52 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 1fqr n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fqr s THR 200 N -2.11 1.55 0.55 4.28 -4.23 -1.26 -4.73 115.64 109.69 1fqr s THR 200 Ca 0.29 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 1fqr s THR 200 Cb 0.20 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.12 1fqr s THR 200 CO 0.37 -0.53 0.89 -2.65 -0.54 0.00 0.00 174.62 172.15 1fqr n PRO 201 N -0.01 0.94 0.00 3.99 -0.02 -1.26 -0.07 135.00 138.57 1fqr n PRO 201 Ca -0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1fqr n PRO 201 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1fqr n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fqr n PRO 202 N -0.50 0.76 -4.09 0.52 -0.04 -1.26 -4.98 135.00 125.41 1fqr n PRO 202 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 1fqr n PRO 202 Cb 0.45 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.89 1fqr n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fqr n LEU 203 N -0.47 -2.06 -4.74 1.53 4.77 0.90 -4.87 117.00 112.06 1fqr n LEU 203 Ca 0.00 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.63 1fqr n LEU 203 Cb 0.01 -2.26 -0.03 0.00 -2.33 0.00 0.00 43.42 38.80 1fqr n LEU 203 CO 0.00 0.37 0.96 -0.76 -1.33 0.00 0.00 177.39 176.63 1fqr s LEU 204 N -7.23 4.43 -1.30 2.23 1.43 -1.26 -4.43 118.68 112.55 1fqr s LEU 204 Ca 0.62 2.39 -0.14 0.00 -1.03 0.00 0.00 54.13 55.97 1fqr s LEU 204 Cb -0.33 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.39 1fqr s LEU 204 CO 0.89 -0.49 1.75 -0.62 0.23 0.00 0.00 176.35 178.11 1fqr n GLU 205 N 2.43 3.28 -0.01 1.70 1.02 -1.26 -0.96 120.64 126.83 1fqr n GLU 205 Ca 0.05 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 53.80 1fqr n GLU 205 Cb 0.43 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 1fqr n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fqr s VAL 207 N -0.59 2.44 -0.42 0.00 0.11 -0.98 -0.61 120.40 120.35 1fqr s VAL 207 Ca 0.01 -1.19 -0.15 0.00 -2.93 0.00 0.00 61.98 57.71 1fqr s VAL 207 Cb 0.01 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1fqr s VAL 207 CO 0.00 0.42 0.33 -0.89 -3.33 0.00 0.00 175.10 171.64 1fqr s THR 208 N -0.80 5.23 0.04 5.04 2.01 -0.46 -0.19 115.64 126.50 1fqr s THR 208 Ca 0.12 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.20 1fqr s THR 208 Cb -0.10 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1fqr s THR 208 CO 0.02 -0.36 0.84 0.26 -0.69 0.00 0.00 174.62 174.70 1fqr s TRP 209 N 1.75 3.72 -0.26 4.92 0.52 -0.60 -2.49 118.94 126.50 1fqr s TRP 209 Ca 0.06 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.74 1fqr s TRP 209 Cb -0.19 -2.93 0.08 0.00 -1.15 0.00 0.00 33.47 29.28 1fqr s TRP 209 CO 0.10 0.18 0.02 0.42 0.02 0.00 0.00 176.95 177.69 1fqr s ILE 210 N 0.27 1.26 -0.27 2.03 1.01 -0.56 -2.72 121.20 122.21 1fqr s ILE 210 Ca 0.43 -1.31 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1fqr s ILE 210 Cb -0.21 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1fqr s ILE 210 CO 0.25 -0.36 0.04 -0.69 0.00 0.00 0.00 174.94 174.17 1fqr s VAL 211 N 1.48 3.69 0.23 2.92 1.01 -0.33 -0.48 120.40 128.91 1fqr s VAL 211 Ca 0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1fqr s VAL 211 Cb -0.18 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 1fqr s VAL 211 CO -0.12 0.16 1.40 -0.76 0.00 0.00 0.00 175.10 175.77 1fqr s LEU 212 N 1.47 4.40 0.13 3.92 1.43 -0.62 -1.18 118.68 128.23 1fqr s LEU 212 Ca 0.03 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 1fqr s LEU 212 Cb -0.17 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1fqr s LEU 212 CO 0.00 -0.64 1.57 0.50 0.23 0.00 0.00 176.35 178.01 1fqr h LYS 213 N 5.14 0.79 -5.81 1.70 3.64 -1.56 -3.43 116.57 117.04 1fqr h LYS 213 Ca -0.46 -0.27 -0.62 0.00 -1.27 0.00 0.00 60.65 58.03 1fqr h LYS 213 Cb 1.22 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.85 1fqr h LYS 213 CO 0.77 0.88 0.38 -2.00 -2.27 0.00 0.00 179.45 177.21 1fqr s GLU 214 N -4.93 3.57 1.01 1.90 2.12 -1.26 -5.01 118.70 116.10 1fqr s GLU 214 Ca -0.13 0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.17 1fqr s GLU 214 Cb 0.11 -3.88 0.19 0.00 0.26 0.00 0.00 34.13 30.81 1fqr s GLU 214 CO 0.81 -1.01 1.09 -1.25 -0.54 0.00 0.00 175.26 174.36 1fqr s PRO 215 N 3.24 0.34 0.22 4.30 0.04 -1.26 -4.62 135.00 137.26 1fqr s PRO 215 Ca 0.31 0.56 0.06 0.00 0.04 0.00 0.00 61.00 61.97 1fqr s PRO 215 Cb -0.12 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1fqr s PRO 215 CO 0.20 -2.80 0.19 0.96 0.04 0.00 0.00 177.00 175.59 1fqr s ILE 216 N -2.92 4.53 -0.04 0.56 -4.36 0.29 -4.82 121.20 114.45 1fqr s ILE 216 Ca 0.65 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.76 1fqr s ILE 216 Cb -0.19 -3.40 -0.04 0.00 1.25 0.00 0.00 42.46 40.08 1fqr s ILE 216 CO 0.58 -0.26 0.13 -0.44 0.24 0.00 0.00 174.94 175.19 1fqr s SER 217 N -3.58 6.11 0.03 4.36 0.01 -1.25 -0.84 113.70 118.53 1fqr s SER 217 Ca 0.32 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.92 1fqr s SER 217 Cb -0.09 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.24 1fqr s SER 217 CO 0.25 0.31 -0.09 0.68 0.41 0.00 0.00 173.24 174.80 1fqr s VAL 218 N -1.18 0.68 0.69 3.43 -7.23 0.09 -3.51 120.40 113.37 1fqr s VAL 218 Ca 0.22 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 1fqr s VAL 218 Cb -0.12 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.16 1fqr s VAL 218 CO 0.12 -0.13 1.06 -0.94 -0.31 0.00 0.00 175.10 174.91 1fqr s SER 219 N -1.04 5.55 0.25 4.85 1.04 -1.24 0.25 113.70 123.35 1fqr s SER 219 Ca -0.03 1.45 -0.06 0.00 0.48 0.00 0.00 55.95 57.79 1fqr s SER 219 Cb -0.07 -2.36 0.28 0.00 0.10 0.00 0.00 66.02 63.98 1fqr s SER 219 CO 0.00 -1.31 1.91 0.28 0.98 0.00 0.00 173.24 175.10 1fqr h SER 220 N -0.63 1.09 -0.83 7.02 0.02 -1.96 -1.42 113.55 116.84 1fqr h SER 220 Ca -0.44 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1fqr h SER 220 Cb 1.22 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1fqr h SER 220 CO 0.60 0.77 0.46 -0.33 -1.14 0.00 0.00 176.83 177.18 1fqr h GLU 221 N 1.28 1.17 0.02 3.45 3.07 -1.97 -0.26 114.58 121.34 1fqr h GLU 221 Ca 0.37 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1fqr h GLU 221 Cb -0.07 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.61 1fqr h GLU 221 CO -0.10 0.86 -0.01 1.96 -1.40 0.00 0.00 179.01 180.32 1fqr h GLN 222 N 1.17 -0.03 -0.59 2.33 4.20 -1.75 -2.27 115.11 118.18 1fqr h GLN 222 Ca 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 1fqr h GLN 222 Cb 0.03 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1fqr h GLN 222 CO -0.05 0.41 0.36 -0.24 -0.67 0.00 0.00 178.83 178.64 1fqr h VAL 223 N -0.47 1.17 -0.62 -0.54 3.04 -1.16 -0.44 116.25 117.24 1fqr h VAL 223 Ca -0.00 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1fqr h VAL 223 Cb 0.45 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.03 1fqr h VAL 223 CO 0.00 0.17 0.30 -0.07 -1.01 0.00 0.00 177.57 176.96 1fqr h LEU 224 N 0.81 0.81 -1.07 3.16 3.38 -1.00 -2.21 115.31 119.18 1fqr h LEU 224 Ca 0.21 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1fqr h LEU 224 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1fqr h LEU 224 CO -0.04 0.71 -0.34 0.11 0.09 0.00 0.00 178.44 178.97 1fqr h LYS 225 N 0.85 0.00 0.00 1.13 1.57 -0.67 -2.60 116.57 116.85 1fqr h LYS 225 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1fqr h LYS 225 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1fqr h LYS 225 CO -0.03 0.34 0.00 1.19 -0.57 0.00 0.00 179.45 180.38 1fqr n PHE 226 N -3.58 0.82 1.08 -1.35 0.99 -0.27 -2.72 117.46 112.42 1fqr n PHE 226 Ca -0.01 0.28 0.12 0.00 -0.00 0.00 0.00 57.45 57.84 1fqr n PHE 226 Cb 0.47 -0.95 0.15 0.00 -1.00 0.00 0.00 39.48 38.14 1fqr n PHE 226 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1fqr n ARG 227 N -2.20 1.82 0.00 -1.08 1.74 -0.98 -4.25 116.66 111.70 1fqr n ARG 227 Ca 0.04 -1.44 0.14 0.00 -0.77 0.00 0.00 57.85 55.83 1fqr n ARG 227 Cb 0.32 -1.47 0.62 0.00 -1.02 0.00 0.00 32.46 30.92 1fqr n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fqr n LYS 228 N 0.66 0.75 -1.45 5.56 4.76 -1.10 -4.37 118.16 122.96 1fqr n LYS 228 Ca 0.13 -0.25 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 1fqr n LYS 228 Cb 0.51 -1.49 0.12 0.00 -1.84 0.00 0.00 35.03 32.32 1fqr n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fqr s LEU 229 N -2.43 2.34 0.06 -0.35 1.43 -1.26 -4.88 118.68 113.59 1fqr s LEU 229 Ca 0.30 1.27 0.09 0.00 -1.03 0.00 0.00 54.13 54.75 1fqr s LEU 229 Cb 0.20 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1fqr s LEU 229 CO 0.46 -2.31 -0.23 0.20 0.23 0.00 0.00 176.35 174.71 1fqr s ASN 230 N -3.80 3.49 0.05 2.29 0.02 0.91 -0.37 114.94 117.53 1fqr s ASN 230 Ca 0.62 -0.54 -0.13 0.00 -1.02 0.00 0.00 52.86 51.79 1fqr s ASN 230 Cb -0.15 -0.43 -0.32 0.00 0.02 0.00 0.00 41.25 40.37 1fqr s ASN 230 CO 0.55 0.24 1.06 -0.26 0.02 0.00 0.00 177.10 178.71 1fqr h PHE 231 N 4.51 0.90 -4.07 2.20 0.04 -1.05 -3.36 116.94 116.11 1fqr h PHE 231 Ca -0.48 -0.63 -0.47 0.00 2.80 0.00 0.00 57.97 59.20 1fqr h PHE 231 Cb 1.15 -0.05 0.14 0.00 2.20 0.00 0.00 35.95 39.40 1fqr h PHE 231 CO 0.52 1.48 0.25 0.54 -0.60 0.00 0.00 178.31 180.51 1fqr s ASN 232 N -7.46 3.30 0.31 2.17 4.22 -1.26 -4.31 114.94 111.91 1fqr s ASN 232 Ca -0.08 1.21 -0.01 0.00 -2.14 0.00 0.00 52.86 51.84 1fqr s ASN 232 Cb 0.05 -1.87 -0.04 0.00 1.28 0.00 0.00 41.25 40.67 1fqr s ASN 232 CO 0.93 -2.71 0.53 -0.83 -2.04 0.00 0.00 177.10 172.98 1fqr s GLY 233 N -3.66 1.55 0.24 0.45 0.00 -1.26 0.29 107.32 104.93 1fqr s GLY 233 Ca 0.64 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 1fqr s GLY 233 CO 0.56 -0.72 1.26 -2.21 0.00 0.00 0.00 173.10 171.99 1fqr n GLU 234 N -1.39 1.70 0.00 2.90 2.13 -1.26 -2.06 120.64 122.67 1fqr n GLU 234 Ca -0.04 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1fqr n GLU 234 Cb 0.55 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.10 1fqr n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fqr n GLY 235 N 1.81 3.00 3.96 8.31 0.00 -1.26 -5.05 105.19 115.96 1fqr n GLY 235 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1fqr n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fqr s GLU 236 N -0.69 3.05 0.08 1.61 2.02 -0.87 -5.00 118.70 118.90 1fqr s GLU 236 Ca 0.00 -0.55 -0.34 0.00 0.02 0.00 0.00 54.97 54.10 1fqr s GLU 236 Cb 0.00 -2.58 -0.13 0.00 0.10 0.00 0.00 34.13 31.52 1fqr s GLU 236 CO 0.00 -0.26 1.66 -2.30 0.02 0.00 0.00 175.26 174.38 1fqr n PRO 237 N -2.05 2.12 -1.72 0.39 -0.02 -1.26 -4.85 135.00 127.62 1fqr n PRO 237 Ca 0.01 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1fqr n PRO 237 Cb 0.58 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1fqr n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fqr s GLU 238 N 1.84 4.14 -0.27 -0.52 2.12 -1.26 -4.81 118.70 119.94 1fqr s GLU 238 Ca 0.83 2.58 0.01 0.00 0.36 0.00 0.00 54.97 58.76 1fqr s GLU 238 Cb -0.69 -3.71 0.08 0.00 0.26 0.00 0.00 34.13 30.06 1fqr s GLU 238 CO 0.42 -0.86 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.07 1fqr s GLU 239 N 3.10 1.43 0.30 4.30 2.02 -1.26 -5.05 118.70 123.54 1fqr s GLU 239 Ca 0.82 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1fqr s GLU 239 Cb -0.45 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.06 1fqr s GLU 239 CO 0.37 -0.74 1.59 -0.51 0.02 0.00 0.00 175.26 176.00 1fqr s LEU 240 N 1.33 4.34 -1.30 1.80 1.43 -1.26 -0.50 118.68 124.52 1fqr s LEU 240 Ca 0.00 2.97 -0.18 0.00 -1.03 0.00 0.00 54.13 55.90 1fqr s LEU 240 Cb -0.19 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.47 1fqr s LEU 240 CO -0.10 -0.92 1.74 0.80 0.23 0.00 0.00 176.35 178.09 1fqr n MET 241 N 2.05 3.20 -4.24 1.70 0.00 0.50 -4.63 117.12 115.70 1fqr n MET 241 Ca 0.08 -3.29 -0.16 0.00 -0.00 0.00 0.00 57.70 54.32 1fqr n MET 241 Cb 0.37 -3.49 -0.11 0.00 0.00 0.00 0.00 33.22 29.99 1fqr n MET 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1fqr s VAL 242 N 4.19 1.26 -1.44 1.12 -7.23 -1.26 -4.75 120.40 112.29 1fqr s VAL 242 Ca 0.54 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1fqr s VAL 242 Cb 0.04 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.38 1fqr s VAL 242 CO 0.08 -0.55 1.05 0.47 -0.31 0.00 0.00 175.10 175.84 1fqr n ASP 243 N 0.25 -5.70 -3.21 4.85 8.00 0.94 -4.87 116.55 116.81 1fqr n ASP 243 Ca -0.13 -0.61 -0.36 0.00 0.71 0.00 0.00 54.79 54.39 1fqr n ASP 243 Cb 0.58 -4.52 -0.02 0.00 -0.02 0.00 0.00 41.12 37.15 1fqr n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fqr n ASN 244 N -2.89 7.59 -4.22 -2.24 6.94 -1.13 -4.92 115.26 114.40 1fqr n ASN 244 Ca 0.02 -3.18 -0.21 0.00 -0.02 0.00 0.00 54.58 51.19 1fqr n ASN 244 Cb 0.55 -1.32 -0.12 0.00 -2.36 0.00 0.00 39.78 36.53 1fqr n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1fqr s TRP 245 N -1.40 1.45 -0.10 -2.53 1.48 -1.26 -4.60 118.94 111.98 1fqr s TRP 245 Ca 0.55 -0.45 -0.15 0.00 -1.06 0.00 0.00 56.10 54.99 1fqr s TRP 245 Cb 0.24 -0.81 -0.05 0.00 -1.16 0.00 0.00 33.47 31.70 1fqr s TRP 245 CO -0.13 0.12 0.38 0.50 -4.06 0.00 0.00 176.95 173.76 1fqr s ARG 246 N -1.84 4.18 1.14 3.25 3.52 -1.26 -4.95 118.95 122.98 1fqr s ARG 246 Ca 0.02 0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.77 1fqr s ARG 246 Cb -0.10 -3.37 0.26 0.00 -1.56 0.00 0.00 34.95 30.18 1fqr s ARG 246 CO 0.03 0.34 1.05 -1.25 -0.81 0.00 0.00 175.30 174.66 1fqr s PRO 247 N 0.08 -0.72 0.40 5.12 0.04 -1.26 -4.64 135.00 134.02 1fqr s PRO 247 Ca 0.22 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 1fqr s PRO 247 Cb -0.15 -1.60 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1fqr s PRO 247 CO 0.09 -3.52 1.27 0.00 0.04 0.00 0.00 177.00 174.88 1fqr s ALA 248 N -2.68 3.24 0.31 8.56 0.00 -1.26 -4.19 121.76 125.74 1fqr s ALA 248 Ca 0.68 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.89 1fqr s ALA 248 Cb -0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1fqr s ALA 248 CO 0.61 -0.75 0.16 -0.65 0.00 0.00 0.00 175.76 175.12 1fqr s GLN 249 N -2.23 2.52 0.04 0.00 -1.52 0.23 -4.93 119.66 113.76 1fqr s GLN 249 Ca 0.57 -1.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.28 1fqr s GLN 249 Cb -0.36 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 30.04 1fqr s GLN 249 CO 0.47 0.20 1.96 -2.30 -0.25 0.00 0.00 175.29 175.36 1fqr n PRO 250 N -1.15 2.84 0.20 2.91 -0.02 -1.26 -4.56 135.00 133.95 1fqr n PRO 250 Ca -0.04 1.04 0.03 0.00 -2.02 0.00 0.00 63.50 62.51 1fqr n PRO 250 Cb 0.60 -2.99 0.40 0.00 -0.02 0.00 0.00 33.50 31.49 1fqr n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fqr h LEU 251 N 10.34 0.00 0.00 2.45 5.85 -1.93 -3.43 115.31 128.59 1fqr h LEU 251 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1fqr h LEU 251 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1fqr h LEU 251 CO 0.94 0.32 0.00 0.29 -0.34 0.00 0.00 178.44 179.66 1fqr n LYS 252 N -4.13 0.00 -0.91 1.25 4.01 -1.26 -2.49 118.16 114.63 1fqr n LYS 252 Ca -0.02 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.80 1fqr n LYS 252 Cb 0.37 0.00 0.35 0.00 -0.51 0.00 0.00 35.03 35.24 1fqr n LYS 252 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1fqr n ASN 253 N 4.64 5.16 -4.80 4.39 4.13 -1.26 -4.95 115.26 122.56 1fqr n ASN 253 Ca 0.00 -3.08 -0.34 0.00 1.68 0.00 0.00 54.58 52.84 1fqr n ASN 253 Cb 0.00 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.50 1fqr n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1fqr s ARG 254 N -2.88 3.94 -0.10 3.52 0.52 -1.04 -5.04 118.95 117.87 1fqr s ARG 254 Ca 0.54 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 1fqr s ARG 254 Cb 0.42 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 1fqr s ARG 254 CO 0.14 -0.30 -0.13 -1.14 0.02 0.00 0.00 175.30 173.89 1fqr s GLN 255 N -3.22 3.01 -0.20 3.54 0.74 -1.26 -5.03 119.66 117.24 1fqr s GLN 255 Ca 0.66 -0.67 -0.10 0.00 0.05 0.00 0.00 55.36 55.29 1fqr s GLN 255 Cb -0.14 -2.54 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 1fqr s GLN 255 CO 0.18 0.41 0.13 0.42 -0.55 0.00 0.00 175.29 175.88 1fqr s ILE 256 N -0.15 5.40 0.04 -2.34 1.01 -1.26 -4.65 121.20 119.24 1fqr s ILE 256 Ca -0.00 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1fqr s ILE 256 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1fqr s ILE 256 CO 0.03 0.43 -0.07 -0.54 0.00 0.00 0.00 174.94 174.79 1fqr s LYS 257 N 0.45 2.44 0.03 2.79 3.01 -0.45 -1.21 119.74 126.81 1fqr s LYS 257 Ca 0.08 -0.81 0.02 0.00 -1.01 0.00 0.00 55.97 54.25 1fqr s LYS 257 Cb -0.11 -2.45 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1fqr s LYS 257 CO -0.01 0.57 0.03 0.00 0.51 0.00 0.00 175.35 176.45 1fqr s ALA 258 N -1.09 3.39 -1.32 5.17 0.00 -0.14 -0.24 121.76 127.53 1fqr s ALA 258 Ca 0.19 -0.98 0.24 0.00 0.00 0.00 0.00 51.96 51.41 1fqr s ALA 258 Cb -0.11 -1.37 0.38 0.00 0.00 0.00 0.00 23.12 22.02 1fqr s ALA 258 CO 0.10 0.69 1.32 -1.13 0.00 0.00 0.00 175.76 176.74 1fqr n SER 259 N 1.01 0.91 -4.36 0.00 3.41 -0.09 -1.41 113.62 113.10 1fqr n SER 259 Ca -0.12 -0.71 -0.24 0.00 -0.26 0.00 0.00 58.87 57.54 1fqr n SER 259 Cb 0.52 0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 64.75 1fqr n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fqr s PHE 260 N -2.80 1.97 -2.33 7.33 -0.71 -1.26 -4.89 117.98 115.29 1fqr s PHE 260 Ca 0.15 -0.43 0.29 0.00 -1.04 0.00 0.00 56.93 55.91 1fqr s PHE 260 Cb 0.18 -0.99 1.34 0.00 -1.21 0.00 0.00 43.02 42.33 1fqr s PHE 260 CO 0.67 0.37 1.91 1.17 -1.34 0.00 0.00 175.22 178.00