#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfr n LYS 2 N 0.00 0.00 -4.41 0.00 5.02 -1.26 -5.15 118.16 112.36 3hfr n LYS 2 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3hfr n LYS 2 Cb 0.00 -0.30 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 3hfr n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hfr s GLN 3 N -0.32 3.28 0.47 1.97 -0.21 -1.26 -5.07 119.66 118.52 3hfr s GLN 3 Ca 0.00 -0.48 -0.22 0.00 0.02 0.00 0.00 55.36 54.69 3hfr s GLN 3 Cb 0.00 -2.83 -0.08 0.00 1.00 0.00 0.00 33.01 31.10 3hfr s GLN 3 CO 0.00 0.48 1.07 0.00 -2.12 0.00 0.00 175.29 174.72 3hfr s ALA 4 N -0.28 2.92 0.05 6.09 0.00 -1.26 -4.54 121.76 124.74 3hfr s ALA 4 Ca 0.05 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 3hfr s ALA 4 Cb -0.12 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3hfr s ALA 4 CO 0.02 -0.39 0.81 0.42 0.00 0.00 0.00 175.76 176.61 3hfr s ILE 5 N -1.80 4.72 0.05 0.00 1.01 -0.10 -1.34 121.20 123.74 3hfr s ILE 5 Ca 0.65 1.71 -0.08 0.00 0.00 0.00 0.00 60.65 62.93 3hfr s ILE 5 Cb -0.21 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 3hfr s ILE 5 CO 0.25 0.34 0.34 -0.83 0.00 0.00 0.00 174.94 175.03 3hfr s GLY 6 N 0.06 2.29 -0.03 6.18 0.00 -1.26 -1.21 107.32 113.36 3hfr s GLY 6 Ca 0.41 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.66 3hfr s GLY 6 CO 0.24 -0.29 -0.05 -1.36 0.00 0.00 0.00 173.10 171.64 3hfr s PHE 7 N -1.37 0.63 0.06 1.90 0.08 0.19 -0.81 117.98 118.66 3hfr s PHE 7 Ca 0.31 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.27 3hfr s PHE 7 Cb -0.13 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 3hfr s PHE 7 CO 0.18 -0.10 -0.16 0.96 -0.10 0.00 0.00 175.22 175.99 3hfr s ILE 8 N 0.45 1.30 0.03 0.64 -4.36 -0.95 -0.96 121.20 117.35 3hfr s ILE 8 Ca -0.06 -1.23 -0.28 0.00 -0.26 0.00 0.00 60.65 58.83 3hfr s ILE 8 Cb -0.09 -1.19 0.09 0.00 1.25 0.00 0.00 42.46 42.52 3hfr s ILE 8 CO -0.00 -0.05 0.91 -0.62 0.24 0.00 0.00 174.94 175.41 3hfr s ASP 9 N -1.48 -0.32 0.59 4.36 2.15 -0.52 -1.07 116.67 120.38 3hfr s ASP 9 Ca 0.02 -0.09 0.37 0.00 0.43 0.00 0.00 52.55 53.29 3hfr s ASP 9 Cb -0.09 0.41 1.72 0.00 -0.30 0.00 0.00 42.92 44.66 3hfr s ASP 9 CO 0.02 -0.68 2.12 0.77 -0.17 0.00 0.00 175.17 177.23 3hfr h SER 10 N 2.00 0.00 0.00 -0.34 4.64 -1.88 0.13 113.55 118.10 3hfr h SER 10 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hfr h SER 10 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hfr h SER 10 CO 0.30 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3hfr n GLY 11 N -0.35 1.20 0.03 -0.77 0.00 -1.26 -2.13 105.19 101.91 3hfr n GLY 11 Ca -0.01 0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3hfr n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hfr n VAL 12 N 0.00 0.00 -0.20 1.61 0.24 -1.26 -4.26 118.33 114.45 3hfr n VAL 12 Ca 0.00 -0.01 0.01 0.00 -2.04 0.00 0.00 64.34 62.29 3hfr n VAL 12 Cb 0.00 0.24 0.10 0.00 -1.47 0.00 0.00 33.84 32.71 3hfr n VAL 12 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hfr h GLY 13 N 4.99 0.66 2.00 7.63 0.00 -1.90 -1.03 103.07 115.42 3hfr h GLY 13 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hfr h GLY 13 CO 0.00 -0.20 0.00 -1.33 0.00 0.00 0.00 176.54 175.01 3hfr h GLY 14 N 0.12 0.00 1.98 4.60 0.00 -1.77 -0.49 103.07 107.50 3hfr h GLY 14 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hfr h GLY 14 CO -0.52 0.00 0.01 1.41 0.00 0.00 0.00 176.54 177.44 3hfr h LEU 15 N 0.00 0.00 -1.15 3.11 3.38 -1.49 -1.26 115.31 117.91 3hfr h LEU 15 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hfr h LEU 15 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hfr h LEU 15 CO 0.00 0.00 -0.29 0.71 0.09 0.00 0.00 178.44 178.95 3hfr h THR 16 N 0.00 0.75 0.15 0.22 1.35 -1.26 -0.33 112.91 113.79 3hfr h THR 16 Ca 0.00 -1.24 -0.22 0.00 -0.55 0.00 0.00 66.41 64.41 3hfr h THR 16 Cb 0.02 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 68.24 3hfr h THR 16 CO -0.00 0.28 -0.98 0.58 -0.25 0.00 0.00 175.52 175.15 3hfr h VAL 17 N 0.00 1.41 -0.68 6.82 2.07 -1.44 -3.36 116.25 121.06 3hfr h VAL 17 Ca -0.00 -2.53 0.08 0.00 0.82 0.00 0.00 66.70 65.07 3hfr h VAL 17 Cb 0.76 3.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.56 3hfr h VAL 17 CO 0.04 0.72 0.34 0.58 0.02 0.00 0.00 177.57 179.27 3hfr h VAL 18 N -0.32 0.87 -0.71 2.57 2.07 -1.19 -0.64 116.25 118.91 3hfr h VAL 18 Ca -0.18 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.25 3hfr h VAL 18 Cb 1.71 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3hfr h VAL 18 CO 0.15 0.11 0.30 -0.09 0.02 0.00 0.00 177.57 178.05 3hfr h ARG 19 N 0.59 0.46 0.00 1.57 2.43 -1.22 0.58 114.38 118.80 3hfr h ARG 19 Ca 0.33 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 3hfr h ARG 19 Cb 0.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3hfr h ARG 19 CO -0.25 0.31 -0.59 0.93 -1.51 0.00 0.00 179.97 178.85 3hfr h GLU 20 N 0.48 0.00 -0.34 0.20 4.39 -1.41 -2.38 114.58 115.52 3hfr h GLU 20 Ca 0.37 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.92 3hfr h GLU 20 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3hfr h GLU 20 CO -0.34 0.59 -0.38 0.28 -1.16 0.00 0.00 179.01 178.00 3hfr h VAL 21 N 0.00 1.28 -0.48 3.13 2.07 -0.24 -1.15 116.25 120.86 3hfr h VAL 21 Ca -0.01 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3hfr h VAL 21 Cb 1.16 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3hfr h VAL 21 CO 0.08 0.51 0.31 -0.07 0.02 0.00 0.00 177.57 178.41 3hfr h LEU 22 N 0.67 0.55 0.11 2.57 3.38 -0.69 0.17 115.31 122.07 3hfr h LEU 22 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hfr h LEU 22 Cb 0.94 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hfr h LEU 22 CO 0.09 0.41 -0.05 0.50 0.09 0.00 0.00 178.44 179.47 3hfr h LYS 23 N 0.65 -0.15 0.00 1.13 1.63 -1.28 -3.29 116.57 115.26 3hfr h LYS 23 Ca 0.17 0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.81 3hfr h LYS 23 Cb -0.06 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3hfr h LYS 23 CO -0.04 0.33 -0.92 1.96 -3.45 0.00 0.00 179.45 177.33 3hfr h GLN 24 N -0.88 0.00 -2.13 1.90 4.20 -1.11 -3.37 115.11 113.71 3hfr h GLN 24 Ca -0.02 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 3hfr h GLN 24 Cb 0.55 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.92 3hfr h GLN 24 CO 0.03 0.66 -0.88 1.28 -0.67 0.00 0.00 178.83 179.25 3hfr n LEU 25 N -3.21 2.51 0.28 1.46 4.77 0.57 -4.97 117.00 118.42 3hfr n LEU 25 Ca -0.02 -5.27 0.19 0.00 -0.03 0.00 0.00 56.01 50.88 3hfr n LEU 25 Cb 0.86 0.01 1.00 0.00 -2.33 0.00 0.00 43.42 42.96 3hfr n LEU 25 CO 0.44 2.23 1.07 1.55 -1.33 0.00 0.00 177.39 181.35 3hfr h PRO 26 N 3.39 0.00 -0.01 3.23 0.13 -1.69 -1.79 132.00 135.26 3hfr h PRO 26 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hfr h PRO 26 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hfr h PRO 26 CO 0.67 0.00 -0.13 0.72 -0.23 0.00 0.00 178.00 179.02 3hfr n HIS 27 N -2.84 0.00 -3.64 1.56 8.25 -1.26 -4.92 115.22 112.37 3hfr n HIS 27 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 3hfr n HIS 27 Cb 0.08 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 3hfr n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hfr s GLU 28 N -2.24 3.73 -0.01 -0.41 0.41 -0.67 -4.87 118.70 114.63 3hfr s GLU 28 Ca 0.31 0.18 -0.17 0.00 -0.41 0.00 0.00 54.97 54.88 3hfr s GLU 28 Cb 0.20 -3.17 -0.06 0.00 -1.78 0.00 0.00 34.13 29.33 3hfr s GLU 28 CO 0.43 0.69 0.49 -1.14 -0.49 0.00 0.00 175.26 175.23 3hfr s GLN 29 N -1.26 4.13 -0.19 1.61 0.74 -1.26 -4.99 119.66 118.44 3hfr s GLN 29 Ca 0.23 0.54 -0.05 0.00 0.05 0.00 0.00 55.36 56.14 3hfr s GLN 29 Cb -0.15 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 3hfr s GLN 29 CO 0.12 0.53 -0.01 0.08 -0.55 0.00 0.00 175.29 175.46 3hfr s VAL 30 N -0.63 3.91 -0.22 1.34 1.01 -1.26 -0.93 120.40 123.62 3hfr s VAL 30 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3hfr s VAL 30 Cb -0.17 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3hfr s VAL 30 CO 0.15 0.44 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 3hfr s TYR 31 N 0.88 2.99 -0.03 5.22 1.51 -0.35 -1.50 117.35 126.07 3hfr s TYR 31 Ca 0.01 -0.77 0.07 0.00 -1.01 0.00 0.00 57.07 55.37 3hfr s TYR 31 Cb -0.14 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 3hfr s TYR 31 CO 0.02 -0.47 -0.24 -0.47 -1.11 0.00 0.00 175.55 173.28 3hfr s TYR 32 N 1.44 2.25 -0.09 2.71 5.04 -0.50 -0.64 117.35 127.55 3hfr s TYR 32 Ca 0.05 -0.51 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 3hfr s TYR 32 Cb -0.14 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.74 3hfr s TYR 32 CO -0.01 -0.10 -0.01 -1.17 -1.34 0.00 0.00 175.55 172.92 3hfr s LEU 33 N -0.43 0.79 -0.19 6.97 2.96 -0.14 -0.80 118.68 127.85 3hfr s LEU 33 Ca 0.05 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3hfr s LEU 33 Cb -0.11 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3hfr s LEU 33 CO 0.01 -0.19 -0.04 -0.83 -1.32 0.00 0.00 176.35 173.98 3hfr s GLY 34 N 1.90 1.64 -1.08 7.98 0.00 -0.57 -1.43 107.32 115.75 3hfr s GLY 34 Ca 0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 3hfr s GLY 34 CO -0.06 0.22 2.54 1.34 0.00 0.00 0.00 173.10 177.14 3hfr n ASP 35 N 4.30 7.61 -0.27 1.64 2.03 0.46 -2.14 116.55 130.19 3hfr n ASP 35 Ca -0.18 -3.12 0.19 0.00 0.52 0.00 0.00 54.79 52.20 3hfr n ASP 35 Cb 0.52 -1.34 0.49 0.00 -0.72 0.00 0.00 41.12 40.07 3hfr n ASP 35 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3hfr h THR 36 N 2.44 0.66 0.00 5.18 2.02 -1.72 -1.69 112.91 119.80 3hfr h THR 36 Ca 0.62 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 3hfr h THR 36 Cb 0.44 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3hfr h THR 36 CO 1.30 0.08 -0.06 0.00 0.37 0.00 0.00 175.52 177.22 3hfr h ALA 37 N 1.61 1.00 -0.21 6.16 0.00 -1.83 -2.81 119.26 123.18 3hfr h ALA 37 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3hfr h ALA 37 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hfr h ALA 37 CO -0.21 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.65 3hfr n ARG 38 N -3.16 2.65 -2.61 0.00 1.74 -0.65 -4.95 116.66 109.68 3hfr n ARG 38 Ca 0.01 -2.39 -0.41 0.00 -0.77 0.00 0.00 57.85 54.30 3hfr n ARG 38 Cb 0.38 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 3hfr n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hfr s PRO 40 N -0.78 4.07 0.38 0.00 0.04 -1.26 -5.05 135.00 132.41 3hfr s PRO 40 Ca 0.45 0.60 0.22 0.00 0.04 0.00 0.00 61.00 62.32 3hfr s PRO 40 Cb -0.28 -3.03 0.25 0.00 0.04 0.00 0.00 34.50 31.48 3hfr s PRO 40 CO 0.35 0.53 1.48 1.88 0.04 0.00 0.00 177.00 181.27 3hfr h TYR 41 N 3.88 0.00 -0.76 0.56 -1.99 -1.94 -3.40 116.97 113.32 3hfr h TYR 41 Ca -0.49 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.39 3hfr h TYR 41 Cb 1.20 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.79 3hfr h TYR 41 CO 0.66 0.03 -0.19 0.78 -0.00 0.00 0.00 178.16 179.44 3hfr h GLY 42 N 3.97 0.54 -0.82 3.88 0.00 -1.99 -1.56 103.07 107.10 3hfr h GLY 42 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hfr h GLY 42 CO 0.00 -0.29 0.00 -1.55 0.00 0.00 0.00 176.54 174.71 3hfr n PRO 43 N -5.50 1.68 -2.80 4.80 -0.04 -1.26 -1.12 135.00 130.76 3hfr n PRO 43 Ca 0.10 -1.03 -0.31 0.00 -0.04 0.00 0.00 63.50 62.22 3hfr n PRO 43 Cb 0.39 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 3hfr n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hfr s ARG 44 N -1.74 3.87 0.79 0.54 0.52 -0.59 -4.99 118.95 117.35 3hfr s ARG 44 Ca 0.29 0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 56.02 3hfr s ARG 44 Cb 0.15 -2.33 0.07 0.00 0.52 0.00 0.00 34.95 33.36 3hfr s ARG 44 CO 0.22 -0.06 1.09 0.16 0.02 0.00 0.00 175.30 176.73 3hfr s ASP 45 N -2.96 4.38 0.25 0.23 1.47 -1.26 -4.85 116.67 113.92 3hfr s ASP 45 Ca 0.54 1.69 -0.04 0.00 1.18 0.00 0.00 52.55 55.91 3hfr s ASP 45 Cb -0.10 -2.41 0.37 0.00 -0.34 0.00 0.00 42.92 40.44 3hfr s ASP 45 CO 0.28 -2.09 1.84 0.50 0.68 0.00 0.00 175.17 176.38 3hfr h LYS 46 N -1.17 0.89 -0.13 2.11 3.64 -1.98 -1.78 116.57 118.15 3hfr h LYS 46 Ca -0.45 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3hfr h LYS 46 Cb 1.24 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3hfr h LYS 46 CO 0.53 0.59 0.04 1.49 -2.27 0.00 0.00 179.45 179.83 3hfr h GLU 47 N 0.91 0.19 -0.33 1.90 4.81 -1.93 -1.69 114.58 118.45 3hfr h GLU 47 Ca 0.39 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3hfr h GLU 47 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3hfr h GLU 47 CO -0.21 0.32 -0.30 1.49 -0.73 0.00 0.00 179.01 179.58 3hfr h GLU 48 N 0.03 0.69 -0.66 1.92 4.81 -1.89 -1.00 114.58 118.49 3hfr h GLU 48 Ca 0.04 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 3hfr h GLU 48 Cb 0.20 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3hfr h GLU 48 CO -0.00 0.91 0.22 0.28 -0.73 0.00 0.00 179.01 179.69 3hfr h VAL 49 N 0.59 1.25 -0.59 0.32 2.07 -1.23 -1.35 116.25 117.31 3hfr h VAL 49 Ca 0.07 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3hfr h VAL 49 Cb 0.81 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3hfr h VAL 49 CO 0.07 0.32 0.03 0.00 0.02 0.00 0.00 177.57 178.01 3hfr h ALA 50 N 1.09 0.79 -0.36 1.67 0.00 -1.02 0.04 119.26 121.47 3hfr h ALA 50 Ca 0.21 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hfr h ALA 50 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hfr h ALA 50 CO -0.01 0.60 0.23 -0.22 0.00 0.00 0.00 179.25 179.85 3hfr h LYS 51 N 0.92 0.45 -0.59 0.00 3.64 -0.90 -0.39 116.57 119.70 3hfr h LYS 51 Ca 0.17 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3hfr h LYS 51 Cb 0.51 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3hfr h LYS 51 CO 0.02 0.30 0.08 0.74 -2.27 0.00 0.00 179.45 178.32 3hfr h PHE 52 N 0.46 1.05 -0.90 1.91 -1.00 -1.04 -1.52 116.94 115.91 3hfr h PHE 52 Ca 0.14 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3hfr h PHE 52 Cb -0.03 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.20 3hfr h PHE 52 CO -0.06 0.92 0.49 1.15 -1.61 0.00 0.00 178.31 179.20 3hfr h THR 53 N 0.89 1.26 -0.44 -1.55 2.02 -0.74 -2.49 112.91 111.85 3hfr h THR 53 Ca 0.18 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3hfr h THR 53 Cb 0.44 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3hfr h THR 53 CO 0.01 0.29 0.17 -0.50 0.37 0.00 0.00 175.52 175.86 3hfr h TRP 54 N 1.26 0.68 0.00 3.16 4.06 -0.81 0.77 115.95 125.06 3hfr h TRP 54 Ca 0.32 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.21 3hfr h TRP 54 Cb 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 27.99 3hfr h TRP 54 CO 0.01 0.59 0.00 0.39 -3.56 0.00 0.00 178.44 175.87 3hfr n GLU 55 N -4.60 0.00 0.00 0.49 1.02 -0.60 -0.24 120.64 116.71 3hfr n GLU 55 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3hfr n GLU 55 Cb 0.16 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 3hfr n GLU 55 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hfr n THR 57 N 0.53 0.00 -0.09 2.62 -1.04 0.26 -1.94 114.28 114.62 3hfr n THR 57 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 3hfr n THR 57 Cb 0.00 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 68.89 3hfr n THR 57 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3hfr h ASN 58 N 0.00 0.58 -0.16 8.00 2.35 -0.87 -0.32 115.58 125.15 3hfr h ASN 58 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3hfr h ASN 58 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hfr h ASN 58 CO 0.00 0.40 0.09 0.15 -1.65 0.00 0.00 177.43 176.42 3hfr h PHE 59 N 0.67 0.23 -0.16 1.19 3.57 -1.62 -1.84 116.94 118.98 3hfr h PHE 59 Ca 0.23 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.52 3hfr h PHE 59 Cb 0.08 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3hfr h PHE 59 CO -0.00 0.23 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.54 3hfr h LEU 60 N 0.16 0.77 -1.13 0.59 3.38 -1.69 -2.63 115.31 114.76 3hfr h LEU 60 Ca 0.06 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3hfr h LEU 60 Cb 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3hfr h LEU 60 CO -0.01 1.25 0.60 0.58 0.09 0.00 0.00 178.44 180.95 3hfr h VAL 61 N 0.47 1.10 -0.69 1.22 2.07 -1.08 -0.31 116.25 119.02 3hfr h VAL 61 Ca -0.03 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3hfr h VAL 61 Cb 1.30 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hfr h VAL 61 CO 0.14 0.20 0.15 -0.78 0.02 0.00 0.00 177.57 177.29 3hfr h ASP 62 N 1.08 1.08 0.54 0.57 3.58 -1.22 -2.68 116.42 119.36 3hfr h ASP 62 Ca 0.38 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 3hfr h ASP 62 Cb 0.14 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3hfr h ASP 62 CO -0.14 1.04 -0.26 0.03 -2.88 0.00 0.00 179.24 177.04 3hfr h ARG 63 N 1.06 0.00 0.00 0.28 -0.00 -0.98 -3.48 114.38 111.26 3hfr h ARG 63 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.70 3hfr h ARG 63 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.37 3hfr h ARG 63 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.97 180.65 3hfr n GLY 64 N -0.32 1.09 3.05 0.04 0.00 -0.20 -5.03 105.19 103.82 3hfr n GLY 64 Ca -0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 3hfr n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hfr s ILE 65 N 0.00 0.57 -2.05 -0.61 -4.36 -1.25 -3.98 121.20 109.53 3hfr s ILE 65 Ca 0.00 -0.92 0.19 0.00 -0.26 0.00 0.00 60.65 59.66 3hfr s ILE 65 Cb 0.00 -0.60 0.52 0.00 1.25 0.00 0.00 42.46 43.63 3hfr s ILE 65 CO 0.00 -0.26 1.45 2.29 0.24 0.00 0.00 174.94 178.66 3hfr n LYS 66 N 1.76 2.38 -3.69 0.37 2.85 -0.45 -4.95 118.16 116.44 3hfr n LYS 66 Ca -0.21 -2.14 -0.10 0.00 -1.05 0.00 0.00 58.31 54.81 3hfr n LYS 66 Cb 0.55 -1.47 -0.10 0.00 -0.65 0.00 0.00 35.03 33.36 3hfr n LYS 66 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hfr s LEU 68 N -1.06 -0.21 -0.24 -5.58 2.96 -0.24 -4.27 118.68 110.05 3hfr s LEU 68 Ca 0.40 0.93 -0.06 0.00 -0.22 0.00 0.00 54.13 55.17 3hfr s LEU 68 Cb 0.21 1.38 -0.02 0.00 0.50 0.00 0.00 46.19 48.26 3hfr s LEU 68 CO 0.28 -0.20 0.04 -0.69 -1.32 0.00 0.00 176.35 174.46 3hfr s VAL 69 N 1.61 4.04 -0.95 1.68 1.01 0.01 -1.62 120.40 126.18 3hfr s VAL 69 Ca -0.08 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3hfr s VAL 69 Cb -0.09 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.48 3hfr s VAL 69 CO -0.13 0.35 1.32 -0.63 0.00 0.00 0.00 175.10 176.01 3hfr s ILE 70 N 1.57 4.15 -0.33 2.22 1.01 0.10 -2.23 121.20 127.70 3hfr s ILE 70 Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 3hfr s ILE 70 Cb -0.15 -4.95 0.08 0.00 0.01 0.00 0.00 42.46 37.45 3hfr s ILE 70 CO 0.02 -1.78 2.56 0.00 0.00 0.00 0.00 174.94 175.73 3hfr n ALA 71 N 8.21 5.84 -3.66 9.38 0.00 -0.23 -3.61 120.51 136.43 3hfr n ALA 71 Ca 0.26 -2.26 -0.08 0.00 0.00 0.00 0.00 53.44 51.36 3hfr n ALA 71 Cb 0.50 -1.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 3hfr n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfr h ASN 73 N 7.28 0.54 0.44 0.00 2.35 -1.85 -1.37 115.58 122.96 3hfr h ASN 73 Ca -0.30 -0.42 -0.13 0.00 -0.55 0.00 0.00 56.30 54.90 3hfr h ASN 73 Cb 1.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3hfr h ASN 73 CO 0.20 0.84 -0.57 0.00 -1.65 0.00 0.00 177.43 176.25 3hfr h THR 74 N 0.23 1.39 -0.51 2.81 1.03 -1.95 -1.51 112.91 114.40 3hfr h THR 74 Ca 0.05 -1.93 -0.13 0.00 -0.01 0.00 0.00 66.41 64.40 3hfr h THR 74 Cb 0.65 1.99 -0.01 0.00 -1.07 0.00 0.00 68.15 69.71 3hfr h THR 74 CO 0.04 0.56 -0.18 0.00 -0.01 0.00 0.00 175.52 175.93 3hfr h ALA 75 N 1.31 0.70 0.32 0.00 0.00 -1.91 0.44 119.26 120.13 3hfr h ALA 75 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hfr h ALA 75 Cb 1.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hfr h ALA 75 CO 0.08 0.67 -0.28 1.15 0.00 0.00 0.00 179.25 180.88 3hfr h THR 76 N 0.88 0.42 -0.83 0.00 2.02 -0.98 -0.92 112.91 113.49 3hfr h THR 76 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.39 3hfr h THR 76 Cb 0.76 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 3hfr h THR 76 CO 0.06 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.44 3hfr h ALA 77 N -0.03 1.17 0.00 6.16 0.00 -1.20 -1.59 119.26 123.77 3hfr h ALA 77 Ca -0.02 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hfr h ALA 77 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hfr h ALA 77 CO -0.03 0.15 -0.84 0.00 0.00 0.00 0.00 179.25 178.53 3hfr h ALA 78 N 1.44 0.61 0.00 0.00 0.00 -0.67 -3.43 119.26 117.21 3hfr h ALA 78 Ca 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hfr h ALA 78 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hfr h ALA 78 CO -0.22 0.99 0.00 0.00 0.00 0.00 0.00 179.25 180.02 3hfr n ALA 79 N -2.41 0.00 0.02 0.00 0.00 -0.37 -4.73 120.51 113.02 3hfr n ALA 79 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 3hfr n ALA 79 Cb 0.79 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.20 3hfr n ALA 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hfr h LEU 80 N 0.00 -0.26 -0.74 0.00 5.85 -1.34 -1.20 115.31 117.61 3hfr h LEU 80 Ca 0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hfr h LEU 80 Cb 0.27 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3hfr h LEU 80 CO 0.00 -0.12 0.36 1.88 -0.34 0.00 0.00 178.44 180.22 3hfr h TYR 81 N -0.12 1.07 -0.43 1.25 0.05 -1.92 0.86 116.97 117.72 3hfr h TYR 81 Ca 0.06 -0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 3hfr h TYR 81 Cb 0.20 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3hfr h TYR 81 CO -0.18 0.78 -0.21 0.22 -1.05 0.00 0.00 178.16 177.72 3hfr h ASP 82 N 1.04 0.88 -0.07 3.88 3.58 -1.87 -0.99 116.42 122.87 3hfr h ASP 82 Ca 0.26 -0.32 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 3hfr h ASP 82 Cb 0.11 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.92 3hfr h ASP 82 CO -0.03 1.06 -0.23 0.40 -2.88 0.00 0.00 179.24 177.55 3hfr h ILE 83 N 0.75 1.42 -0.67 2.25 2.04 -0.77 -2.14 117.51 120.40 3hfr h ILE 83 Ca 0.10 -1.61 0.12 0.00 1.00 0.00 0.00 64.86 64.48 3hfr h ILE 83 Cb 0.75 2.27 -0.09 0.00 -0.74 0.00 0.00 36.82 39.01 3hfr h ILE 83 CO 0.06 0.46 0.23 -0.09 0.00 0.00 0.00 178.15 178.81 3hfr h ARG 84 N -0.20 0.37 0.43 2.37 2.43 -0.88 -1.57 114.38 117.33 3hfr h ARG 84 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hfr h ARG 84 Cb 0.86 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3hfr h ARG 84 CO 0.05 0.25 -0.23 1.49 -1.51 0.00 0.00 179.97 180.01 3hfr h GLU 85 N 0.38 -0.59 0.01 0.20 4.57 -1.10 -3.33 114.58 114.72 3hfr h GLU 85 Ca 0.36 0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.39 3hfr h GLU 85 Cb 0.52 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3hfr h GLU 85 CO -0.38 -0.40 -0.89 0.87 -1.18 0.00 0.00 179.01 177.03 3hfr h LYS 86 N -0.62 0.08 -6.88 1.92 1.57 -1.19 -3.44 116.57 108.01 3hfr h LYS 86 Ca -0.05 -0.10 -0.49 0.00 -1.87 0.00 0.00 60.65 58.14 3hfr h LYS 86 Cb 0.49 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.85 3hfr h LYS 86 CO 0.07 0.92 0.10 -0.51 -0.57 0.00 0.00 179.45 179.46 3hfr s LEU 87 N -7.16 3.72 -0.02 2.94 1.43 -0.61 -5.02 118.68 113.96 3hfr s LEU 87 Ca -0.01 0.99 0.22 0.00 -1.03 0.00 0.00 54.13 54.30 3hfr s LEU 87 Cb 0.10 -3.91 -0.29 0.00 0.03 0.00 0.00 46.19 42.12 3hfr s LEU 87 CO 0.81 -0.50 0.65 0.47 0.23 0.00 0.00 176.35 178.02 3hfr n ASP 88 N -1.86 0.39 -4.83 2.29 8.00 -1.26 -4.84 116.55 114.45 3hfr n ASP 88 Ca 0.01 -0.38 -0.32 0.00 0.71 0.00 0.00 54.79 54.81 3hfr n ASP 88 Cb 0.55 1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 43.23 3hfr n ASP 88 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hfr s ILE 89 N -3.32 4.31 0.34 0.53 -4.36 -1.26 -5.01 121.20 112.43 3hfr s ILE 89 Ca -0.02 1.06 -0.29 0.00 -0.26 0.00 0.00 60.65 61.14 3hfr s ILE 89 Cb 0.15 -3.62 -0.11 0.00 1.25 0.00 0.00 42.46 40.12 3hfr s ILE 89 CO 0.89 -0.68 1.50 -2.65 0.24 0.00 0.00 174.94 174.25 3hfr n PRO 90 N -1.88 2.60 -4.41 0.37 -0.02 -1.26 -4.86 135.00 125.55 3hfr n PRO 90 Ca 0.07 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.24 3hfr n PRO 90 Cb 0.54 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 3hfr n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hfr s VAL 91 N -0.66 0.88 0.24 -1.45 1.01 -1.26 -1.07 120.40 118.09 3hfr s VAL 91 Ca 0.58 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3hfr s VAL 91 Cb -0.50 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3hfr s VAL 91 CO 0.57 0.30 0.02 0.27 0.00 0.00 0.00 175.10 176.27 3hfr s ILE 92 N 0.77 0.93 0.02 2.22 -4.36 -0.64 -4.89 121.20 115.25 3hfr s ILE 92 Ca -0.13 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 3hfr s ILE 92 Cb -0.15 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3hfr s ILE 92 CO 0.02 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.58 3hfr n GLY 93 N -0.45 4.16 0.43 6.27 0.00 -1.26 0.02 105.19 114.37 3hfr n GLY 93 Ca -0.04 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.84 3hfr n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hfr n VAL 94 N -0.05 0.00 0.02 1.61 0.24 -1.24 -4.60 118.33 114.31 3hfr n VAL 94 Ca -0.01 -0.40 -0.18 0.00 -2.04 0.00 0.00 64.34 61.71 3hfr n VAL 94 Cb 0.02 1.23 -0.14 0.00 -1.47 0.00 0.00 33.84 33.48 3hfr n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3hfr h ILE 95 N 2.13 1.58 -0.50 1.34 2.04 -1.92 -3.09 117.51 119.08 3hfr h ILE 95 Ca 0.00 -2.43 -0.08 0.00 1.00 0.00 0.00 64.86 63.35 3hfr h ILE 95 Cb 0.55 3.19 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 3hfr h ILE 95 CO 0.00 0.68 0.02 -0.61 0.00 0.00 0.00 178.15 178.24 3hfr h GLN 96 N -0.51 0.87 -0.69 2.37 5.75 -1.97 -1.71 115.11 119.23 3hfr h GLN 96 Ca -0.10 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.12 3hfr h GLN 96 Cb 1.44 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.87 3hfr h GLN 96 CO 0.11 0.90 0.36 -1.35 -2.65 0.00 0.00 178.83 176.20 3hfr h PRO 97 N 0.74 0.98 -0.43 -2.39 0.11 -1.82 -1.23 132.00 127.97 3hfr h PRO 97 Ca 0.14 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3hfr h PRO 97 Cb 0.49 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3hfr h PRO 97 CO 0.02 0.75 0.11 0.78 -0.21 0.00 0.00 178.00 179.45 3hfr h GLY 98 N 0.96 0.68 0.81 -0.55 0.00 -1.44 -0.42 103.07 103.11 3hfr h GLY 98 Ca 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3hfr h GLY 98 CO -0.04 0.34 0.02 1.76 0.00 0.00 0.00 176.54 178.62 3hfr h SER 99 N 0.62 0.26 -0.53 0.19 0.02 -1.00 -0.58 113.55 112.53 3hfr h SER 99 Ca 0.14 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3hfr h SER 99 Cb 0.23 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3hfr h SER 99 CO -0.00 0.46 0.24 0.03 -1.14 0.00 0.00 176.83 176.42 3hfr h ARG 100 N 0.04 0.45 -0.56 3.45 3.08 -0.93 -1.30 114.38 118.60 3hfr h ARG 100 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3hfr h ARG 100 Cb 0.32 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3hfr h ARG 100 CO 0.00 0.30 0.23 0.00 -1.07 0.00 0.00 179.97 179.44 3hfr h ALA 101 N 1.31 0.73 -0.10 0.04 0.00 -0.90 -1.75 119.26 118.59 3hfr h ALA 101 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hfr h ALA 101 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hfr h ALA 101 CO -0.20 0.33 0.02 0.00 0.00 0.00 0.00 179.25 179.40 3hfr h ALA 102 N 1.08 0.13 0.00 0.00 0.00 -0.86 -1.70 119.26 117.91 3hfr h ALA 102 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hfr h ALA 102 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hfr h ALA 102 CO -0.02 -0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 178.86 3hfr h LEU 103 N -0.05 0.00 -0.30 0.00 3.38 -1.11 -0.78 115.31 116.45 3hfr h LEU 103 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3hfr h LEU 103 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hfr h LEU 103 CO 0.00 0.07 -0.86 0.11 0.09 0.00 0.00 178.44 177.85 3hfr h LYS 104 N 0.00 0.10 0.00 1.13 1.57 -0.98 -3.35 116.57 115.03 3hfr h LYS 104 Ca -0.00 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 3hfr h LYS 104 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hfr h LYS 104 CO 0.01 0.90 -1.02 0.00 -0.57 0.00 0.00 179.45 178.76 3hfr h ALA 105 N 1.06 0.65 -2.74 3.86 0.00 -0.25 -3.47 119.26 118.36 3hfr h ALA 105 Ca -0.03 -0.59 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 3hfr h ALA 105 Cb 1.50 0.12 0.04 0.00 0.00 0.00 0.00 17.79 19.45 3hfr h ALA 105 CO 0.12 0.68 0.50 -0.08 0.00 0.00 0.00 179.25 180.48 3hfr s THR 106 N -3.00 3.23 -0.21 0.00 -1.32 -0.59 -4.96 115.64 108.79 3hfr s THR 106 Ca -0.00 1.09 0.08 0.00 -1.21 0.00 0.00 61.69 61.65 3hfr s THR 106 Cb 0.08 -3.64 -0.18 0.00 -1.51 0.00 0.00 72.50 67.25 3hfr s THR 106 CO 0.78 0.15 -0.09 0.54 -2.21 0.00 0.00 174.62 173.79 3hfr n ARG 107 N 0.40 0.77 -0.10 7.08 3.00 -1.26 -4.69 116.66 121.86 3hfr n ARG 107 Ca 0.03 0.08 0.06 0.00 -0.01 0.00 0.00 57.85 58.00 3hfr n ARG 107 Cb 0.46 -1.47 0.11 0.00 0.00 0.00 0.00 32.46 31.56 3hfr n ARG 107 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3hfr n ASN 108 N -2.97 2.49 -2.57 0.55 6.94 -1.26 -5.01 115.26 113.42 3hfr n ASN 108 Ca -0.37 -1.77 -0.21 0.00 -0.02 0.00 0.00 54.58 52.22 3hfr n ASN 108 Cb 1.00 -0.13 0.01 0.00 -2.36 0.00 0.00 39.78 38.31 3hfr n ASN 108 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hfr n ASN 109 N 0.56 -5.82 -4.08 0.53 5.03 -1.26 -4.97 115.26 105.25 3hfr n ASN 109 Ca 0.09 -0.15 -0.34 0.00 0.87 0.00 0.00 54.58 55.05 3hfr n ASN 109 Cb 0.36 -4.74 -0.12 0.00 -1.02 0.00 0.00 39.78 34.26 3hfr n ASN 109 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hfr s LYS 110 N -5.32 1.97 -0.16 3.52 1.02 -1.26 -1.35 119.74 118.15 3hfr s LYS 110 Ca 0.14 -2.03 -0.06 0.00 0.02 0.00 0.00 55.97 54.05 3hfr s LYS 110 Cb -0.06 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3hfr s LYS 110 CO 0.18 -1.06 0.04 0.42 -0.92 0.00 0.00 175.35 174.01 3hfr s ILE 111 N 0.75 4.65 0.05 2.17 1.01 -0.40 -2.15 121.20 127.29 3hfr s ILE 111 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3hfr s ILE 111 Cb -0.22 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3hfr s ILE 111 CO -0.05 0.50 0.16 -0.83 0.00 0.00 0.00 174.94 174.72 3hfr s GLY 112 N 0.05 2.13 -0.08 6.18 0.00 0.42 -1.75 107.32 114.26 3hfr s GLY 112 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3hfr s GLY 112 CO 0.01 -0.85 -0.10 0.14 0.00 0.00 0.00 173.10 172.30 3hfr s VAL 113 N -1.43 1.05 -0.15 1.40 1.01 -0.13 -0.40 120.40 121.75 3hfr s VAL 113 Ca 0.32 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3hfr s VAL 113 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hfr s VAL 113 CO 0.24 0.35 0.04 -0.76 0.00 0.00 0.00 175.10 174.97 3hfr s LEU 114 N 0.97 3.73 0.30 3.92 1.43 -0.45 -0.42 118.68 128.16 3hfr s LEU 114 Ca -0.09 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 3hfr s LEU 114 Cb -0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 3hfr s LEU 114 CO 0.00 0.25 0.85 -0.83 0.23 0.00 0.00 176.35 176.85 3hfr s GLY 115 N -0.08 0.18 0.99 -3.19 0.00 -1.00 -0.16 107.32 104.06 3hfr s GLY 115 Ca 0.06 -0.50 -0.14 0.00 0.00 0.00 0.00 44.72 44.14 3hfr s GLY 115 CO 0.01 0.40 1.15 -0.51 0.00 0.00 0.00 173.10 174.15 3hfr s THR 116 N -2.63 1.92 0.10 0.90 -4.23 -1.26 -1.35 115.64 109.09 3hfr s THR 116 Ca 0.16 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.48 3hfr s THR 116 Cb -0.04 -2.69 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 3hfr s THR 116 CO 0.08 0.00 1.62 -0.07 -0.54 0.00 0.00 174.62 175.71 3hfr h LEU 117 N -1.81 0.35 -0.55 4.79 3.38 -1.94 -1.38 115.31 118.16 3hfr h LEU 117 Ca -0.49 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.33 3hfr h LEU 117 Cb 1.31 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3hfr h LEU 117 CO 0.52 0.45 0.29 1.23 0.09 0.00 0.00 178.44 181.02 3hfr h GLY 118 N 0.23 0.78 0.83 0.83 0.00 -1.46 -0.52 103.07 103.76 3hfr h GLY 118 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3hfr h GLY 118 CO -0.00 0.13 0.03 -0.84 0.00 0.00 0.00 176.54 175.85 3hfr h THR 119 N 0.55 1.23 -0.80 4.70 2.02 -1.81 -1.17 112.91 117.63 3hfr h THR 119 Ca 0.24 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3hfr h THR 119 Cb 0.14 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3hfr h THR 119 CO -0.16 0.23 0.36 0.58 0.37 0.00 0.00 175.52 176.90 3hfr h VAL 120 N 0.12 1.25 0.00 3.16 2.07 -1.08 -2.69 116.25 119.08 3hfr h VAL 120 Ca 0.06 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3hfr h VAL 120 Cb 0.32 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3hfr h VAL 120 CO 0.00 0.31 -0.43 -0.08 0.02 0.00 0.00 177.57 177.40 3hfr h GLU 121 N 1.14 0.00 0.00 1.57 4.57 -0.97 -3.44 114.58 117.45 3hfr h GLU 121 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3hfr h GLU 121 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3hfr h GLU 121 CO -0.03 0.43 0.00 -1.13 -1.18 0.00 0.00 179.01 177.10 3hfr n SER 122 N -3.47 0.00 0.00 1.04 3.41 -0.45 -5.09 113.62 109.06 3hfr n SER 122 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hfr n SER 122 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3hfr n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfr n ALA 124 N -3.00 0.00 0.30 7.33 0.00 -1.26 -5.03 120.51 118.85 3hfr n ALA 124 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3hfr n ALA 124 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hfr n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3hfr h TYR 125 N 0.00 -0.72 -0.83 0.00 -1.99 -1.95 -0.37 116.97 111.11 3hfr h TYR 125 Ca 0.00 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.80 3hfr h TYR 125 Cb 0.00 0.24 -0.07 0.00 2.00 0.00 0.00 36.73 38.90 3hfr h TYR 125 CO 0.00 -0.39 0.49 -1.35 -0.00 0.00 0.00 178.16 176.91 3hfr h PRO 126 N -1.03 0.82 -0.12 4.88 0.11 -1.96 0.01 132.00 134.70 3hfr h PRO 126 Ca -0.08 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.00 3hfr h PRO 126 Cb 0.66 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3hfr h PRO 126 CO 0.13 0.54 0.02 1.15 -0.21 0.00 0.00 178.00 179.63 3hfr h THR 127 N 0.84 0.94 -0.61 -1.15 2.02 -1.95 -0.48 112.91 112.51 3hfr h THR 127 Ca 0.39 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.52 3hfr h THR 127 Cb 0.31 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3hfr h THR 127 CO -0.23 0.01 0.28 0.00 0.37 0.00 0.00 175.52 175.96 3hfr h ALA 128 N 1.09 0.79 -0.21 6.16 0.00 -0.65 -1.02 119.26 125.42 3hfr h ALA 128 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3hfr h ALA 128 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hfr h ALA 128 CO -0.08 0.37 -0.09 -0.07 0.00 0.00 0.00 179.25 179.37 3hfr h LEU 129 N 0.84 0.44 -0.80 0.00 3.38 -0.73 -2.48 115.31 115.96 3hfr h LEU 129 Ca 0.21 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3hfr h LEU 129 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hfr h LEU 129 CO -0.02 0.75 -0.27 0.11 0.09 0.00 0.00 178.44 179.09 3hfr h LYS 130 N 0.14 0.00 0.00 1.13 1.57 -1.11 0.31 116.57 118.61 3hfr h LYS 130 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3hfr h LYS 130 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3hfr h LYS 130 CO 0.03 0.27 -0.30 0.78 -0.57 0.00 0.00 179.45 179.65 3hfr h GLY 131 N 2.51 0.00 0.11 3.86 0.00 -0.99 -2.58 103.07 105.99 3hfr h GLY 131 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3hfr h GLY 131 CO 0.03 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.35 3hfr h LEU 132 N 0.00 0.08 -6.97 3.11 3.38 -1.04 -3.46 115.31 110.41 3hfr h LEU 132 Ca -0.00 -0.82 -0.51 0.00 0.09 0.00 0.00 57.88 56.64 3hfr h LEU 132 Cb 0.65 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.97 3hfr h LEU 132 CO 0.04 1.26 -0.77 0.21 0.09 0.00 0.00 178.44 179.27 3hfr s ASN 133 N -6.57 3.10 0.00 -0.43 3.84 0.06 -5.03 114.94 109.91 3hfr s ASN 133 Ca -0.22 -1.03 0.15 0.00 0.21 0.00 0.00 52.86 51.97 3hfr s ASN 133 Cb 0.01 -0.38 0.82 0.00 -0.55 0.00 0.00 41.25 41.15 3hfr s ASN 133 CO 0.68 -0.39 1.41 -2.11 -2.79 0.00 0.00 177.10 173.89 3hfr n ARG 134 N 5.20 0.30 0.00 0.43 1.85 -0.97 -2.37 116.66 121.10 3hfr n ARG 134 Ca -0.06 0.10 0.10 0.00 -1.00 0.00 0.00 57.85 56.98 3hfr n ARG 134 Cb 0.45 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.37 3hfr n ARG 134 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hfr n ARG 135 N -1.20 1.52 -2.36 2.89 1.74 -1.26 -4.96 116.66 113.03 3hfr n ARG 135 Ca 0.09 -1.04 -0.40 0.00 -0.77 0.00 0.00 57.85 55.72 3hfr n ARG 135 Cb 0.10 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3hfr n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hfr s VAL 136 N -2.09 3.27 -0.04 1.55 0.11 -1.00 -5.02 120.40 117.18 3hfr s VAL 136 Ca 0.17 1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 60.36 3hfr s VAL 136 Cb 0.16 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 31.15 3hfr s VAL 136 CO 0.45 0.29 0.33 -1.61 -3.33 0.00 0.00 175.10 171.22 3hfr s GLU 137 N -1.44 3.80 -0.05 1.54 2.02 -0.46 -4.89 118.70 119.22 3hfr s GLU 137 Ca 0.46 0.24 -0.01 0.00 0.02 0.00 0.00 54.97 55.69 3hfr s GLU 137 Cb -0.34 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 30.69 3hfr s GLU 137 CO 0.44 0.70 0.02 0.08 0.02 0.00 0.00 175.26 176.52 3hfr s VAL 138 N -0.99 0.15 -0.05 2.63 1.01 -1.26 -1.27 120.40 120.62 3hfr s VAL 138 Ca 0.21 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3hfr s VAL 138 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3hfr s VAL 138 CO 0.10 0.21 -0.15 -1.81 0.00 0.00 0.00 175.10 173.44 3hfr s ASP 139 N 1.85 2.03 0.03 3.32 1.01 -0.72 -5.00 116.67 119.19 3hfr s ASP 139 Ca 0.02 -0.34 0.06 0.00 0.71 0.00 0.00 52.55 53.00 3hfr s ASP 139 Cb -0.12 -0.72 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 3hfr s ASP 139 CO -0.04 0.11 -0.14 -0.44 0.21 0.00 0.00 175.17 174.87 3hfr s SER 140 N 0.29 4.11 -0.13 0.27 0.01 -1.26 -0.95 113.70 116.04 3hfr s SER 140 Ca -0.09 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 3hfr s SER 140 Cb -0.13 -0.79 0.04 0.00 0.21 0.00 0.00 66.02 65.35 3hfr s SER 140 CO 0.03 0.27 -0.01 -0.22 0.41 0.00 0.00 173.24 173.71 3hfr s LEU 141 N -1.42 1.08 0.22 2.44 2.96 0.45 -4.94 118.68 119.47 3hfr s LEU 141 Ca 0.16 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.32 3hfr s LEU 141 Cb -0.11 -0.66 -0.08 0.00 0.50 0.00 0.00 46.19 45.84 3hfr s LEU 141 CO 0.06 -0.21 1.08 0.00 -1.32 0.00 0.00 176.35 175.96 3hfr s ALA 142 N 1.82 3.38 -0.55 5.97 0.00 -1.26 -2.39 121.76 128.73 3hfr s ALA 142 Ca 0.02 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.86 3hfr s ALA 142 Cb -0.14 -3.33 0.22 0.00 0.00 0.00 0.00 23.12 19.86 3hfr s ALA 142 CO -0.07 -0.15 0.56 0.00 0.00 0.00 0.00 175.76 176.10 3hfr h PRO 144 N 4.70 0.09 0.00 0.00 0.11 -1.96 -2.68 132.00 132.26 3hfr h PRO 144 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hfr h PRO 144 Cb 0.78 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3hfr h PRO 144 CO 0.63 0.06 -0.09 0.87 -0.21 0.00 0.00 178.00 179.26 3hfr h LYS 145 N 0.09 0.00 -0.32 1.05 1.57 -1.98 -3.38 116.57 113.60 3hfr h LYS 145 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3hfr h LYS 145 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3hfr h LYS 145 CO -0.02 0.00 0.17 0.74 -0.57 0.00 0.00 179.45 179.76 3hfr h PHE 146 N 0.00 0.45 -0.53 -1.35 -1.00 -1.88 -2.73 116.94 109.90 3hfr h PHE 146 Ca 0.00 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3hfr h PHE 146 Cb 0.97 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.34 3hfr h PHE 146 CO 0.00 0.38 0.28 0.28 -1.61 0.00 0.00 178.31 177.64 3hfr h VAL 147 N 0.40 0.97 -0.47 -0.55 2.07 -1.78 -1.77 116.25 115.13 3hfr h VAL 147 Ca 0.11 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3hfr h VAL 147 Cb 0.08 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hfr h VAL 147 CO -0.02 0.10 0.27 0.28 0.02 0.00 0.00 177.57 178.22 3hfr h SER 148 N 0.54 0.58 -0.81 0.57 0.02 -1.78 0.69 113.55 113.36 3hfr h SER 148 Ca 0.23 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3hfr h SER 148 Cb 0.12 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3hfr h SER 148 CO -0.15 0.49 0.53 0.58 -1.14 0.00 0.00 176.83 177.14 3hfr h VAL 149 N 0.62 1.17 -0.07 2.27 2.07 -1.18 0.97 116.25 122.10 3hfr h VAL 149 Ca 0.17 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3hfr h VAL 149 Cb 0.03 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3hfr h VAL 149 CO -0.03 0.19 -0.08 0.58 0.02 0.00 0.00 177.57 178.25 3hfr h VAL 150 N 1.06 1.38 -0.29 2.57 2.07 -1.09 -1.89 116.25 120.05 3hfr h VAL 150 Ca 0.31 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3hfr h VAL 150 Cb -0.06 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3hfr h VAL 150 CO -0.09 0.35 0.08 -0.33 0.02 0.00 0.00 177.57 177.60 3hfr h GLU 151 N -0.25 0.41 0.00 1.57 4.39 -0.64 -1.19 114.58 118.86 3hfr h GLU 151 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hfr h GLU 151 Cb 0.60 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3hfr h GLU 151 CO 0.02 0.38 0.00 -1.13 -1.16 0.00 0.00 179.01 177.12 3hfr n SER 152 N -4.38 0.00 -0.08 1.42 3.41 0.32 -4.90 113.62 109.40 3hfr n SER 152 Ca 0.01 0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 3hfr n SER 152 Cb 0.16 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3hfr n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfr n GLY 153 N 0.94 0.49 1.20 5.00 0.00 -0.45 -4.93 105.19 107.44 3hfr n GLY 153 Ca 0.06 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.47 3hfr n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hfr n GLU 154 N -2.88 2.86 0.00 1.61 1.02 -0.73 -4.63 120.64 117.90 3hfr n GLU 154 Ca -0.01 -2.10 0.10 0.00 -0.02 0.00 0.00 57.16 55.12 3hfr n GLU 154 Cb 0.05 -1.66 0.47 0.00 -0.02 0.00 0.00 31.44 30.28 3hfr n GLU 154 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3hfr n TYR 155 N 0.87 0.00 0.75 -0.32 0.18 -1.22 -1.87 117.16 115.55 3hfr n TYR 155 Ca 0.19 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.05 3hfr n TYR 155 Cb 0.64 -0.34 -0.05 0.00 -0.38 0.00 0.00 39.34 39.21 3hfr n TYR 155 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3hfr n LYS 156 N -1.34 1.67 -2.36 -3.48 5.02 -1.26 -4.67 118.16 111.75 3hfr n LYS 156 Ca 0.08 -0.38 -0.26 0.00 -2.02 0.00 0.00 58.31 55.74 3hfr n LYS 156 Cb 0.17 -1.28 0.13 0.00 -0.02 0.00 0.00 35.03 34.03 3hfr n LYS 156 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hfr s SER 157 N -2.27 4.05 0.28 4.39 1.04 -0.78 -4.92 113.70 115.48 3hfr s SER 157 Ca 0.10 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.42 3hfr s SER 157 Cb 0.13 -0.22 0.39 0.00 0.10 0.00 0.00 66.02 66.42 3hfr s SER 157 CO 0.55 -2.08 1.78 0.00 0.98 0.00 0.00 173.24 174.47 3hfr h ALA 158 N -0.85 1.16 -0.63 5.32 0.00 -1.97 -2.57 119.26 119.72 3hfr h ALA 158 Ca -0.40 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3hfr h ALA 158 Cb 1.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3hfr h ALA 158 CO 0.42 0.54 0.14 0.97 0.00 0.00 0.00 179.25 181.32 3hfr h ILE 159 N 0.67 1.25 -0.79 0.00 -0.00 -1.94 -2.58 117.51 114.11 3hfr h ILE 159 Ca 0.13 -0.93 0.04 0.00 -0.00 0.00 0.00 64.86 64.09 3hfr h ILE 159 Cb 0.44 0.61 -0.05 0.00 -0.00 0.00 0.00 36.82 37.83 3hfr h ILE 159 CO 0.02 0.35 0.50 0.00 -0.00 0.00 0.00 178.15 179.02 3hfr h ALA 160 N 1.19 1.04 -0.91 0.18 0.00 -1.61 -1.81 119.26 117.34 3hfr h ALA 160 Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hfr h ALA 160 Cb 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3hfr h ALA 160 CO 0.00 0.30 0.60 -0.22 0.00 0.00 0.00 179.25 179.93 3hfr h LYS 161 N 0.97 1.14 -0.13 0.00 3.64 -1.18 -2.57 116.57 118.44 3hfr h LYS 161 Ca 0.32 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3hfr h LYS 161 Cb 0.03 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3hfr h LYS 161 CO -0.12 0.76 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.47 3hfr h LYS 162 N 1.18 0.31 -0.34 1.90 3.64 -1.05 -2.43 116.57 119.77 3hfr h LYS 162 Ca 0.35 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3hfr h LYS 162 Cb -0.05 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hfr h LYS 162 CO -0.10 0.71 -0.13 0.28 -2.27 0.00 0.00 179.45 177.94 3hfr h VAL 163 N -0.07 1.24 -0.29 2.00 2.07 -1.29 -0.31 116.25 119.59 3hfr h VAL 163 Ca 0.02 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3hfr h VAL 163 Cb 0.65 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hfr h VAL 163 CO 0.03 0.36 0.13 0.58 0.02 0.00 0.00 177.57 178.70 3hfr h VAL 164 N 0.55 1.16 -0.49 2.57 2.07 -1.52 -1.27 116.25 119.32 3hfr h VAL 164 Ca 0.10 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3hfr h VAL 164 Cb 0.54 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hfr h VAL 164 CO 0.03 0.17 0.27 0.00 0.02 0.00 0.00 177.57 178.06 3hfr h ALA 165 N 0.98 0.63 -0.38 1.67 0.00 -0.90 -1.38 119.26 119.88 3hfr h ALA 165 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hfr h ALA 165 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hfr h ALA 165 CO -0.01 0.16 0.11 0.93 0.00 0.00 0.00 179.25 180.43 3hfr h GLU 166 N 0.65 0.60 -0.19 0.00 5.08 -1.08 -2.70 114.58 116.94 3hfr h GLU 166 Ca 0.17 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 3hfr h GLU 166 Cb 0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hfr h GLU 166 CO -0.03 0.62 -0.64 0.77 -1.00 0.00 0.00 179.01 178.73 3hfr h SER 167 N 0.47 0.78 0.18 1.42 0.02 -1.09 -3.32 113.55 112.01 3hfr h SER 167 Ca 0.12 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3hfr h SER 167 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3hfr h SER 167 CO -0.00 1.22 -0.71 0.18 -1.14 0.00 0.00 176.83 176.38 3hfr n LEU 168 N -3.94 0.98 -0.31 5.07 4.77 -0.53 -4.42 117.00 118.61 3hfr n LEU 168 Ca -0.05 -0.36 0.15 0.00 -0.03 0.00 0.00 56.01 55.73 3hfr n LEU 168 Cb 0.67 -0.09 0.32 0.00 -2.33 0.00 0.00 43.42 41.99 3hfr n LEU 168 CO 0.50 0.22 0.94 0.25 -1.33 0.00 0.00 177.39 177.97 3hfr h LEU 169 N 0.42 -0.01 -1.80 2.23 5.85 -1.58 -0.41 115.31 120.01 3hfr h LEU 169 Ca 0.00 0.21 0.17 0.00 0.84 0.00 0.00 57.88 59.10 3hfr h LEU 169 Cb 0.53 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3hfr h LEU 169 CO 0.00 -0.19 0.48 -0.65 -0.34 0.00 0.00 178.44 177.73 3hfr h PRO 170 N 0.18 0.19 -0.10 5.25 0.11 -1.85 -1.61 132.00 134.16 3hfr h PRO 170 Ca 0.59 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.71 3hfr h PRO 170 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hfr h PRO 170 CO -0.69 0.12 0.08 -0.07 -0.21 0.00 0.00 178.00 177.23 3hfr h LEU 171 N 0.19 0.00 -0.02 2.35 3.38 -1.40 -1.70 115.31 118.12 3hfr h LEU 171 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hfr h LEU 171 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3hfr h LEU 171 CO -0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.76 3hfr n LYS 172 N -4.29 0.01 0.17 1.13 5.02 -0.61 -1.76 118.16 117.84 3hfr n LYS 172 Ca -0.01 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 3hfr n LYS 172 Cb 0.19 -1.52 0.24 0.00 -0.02 0.00 0.00 35.03 33.93 3hfr n LYS 172 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3hfr h SER 173 N 0.00 0.00 -0.81 4.39 0.02 -1.46 -3.47 113.55 112.22 3hfr h SER 173 Ca 0.00 -0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3hfr h SER 173 Cb 0.36 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.92 3hfr h SER 173 CO 0.00 0.00 -0.14 0.42 -1.14 0.00 0.00 176.83 175.98 3hfr s THR 174 N -3.18 2.15 -0.66 -2.27 -4.23 -0.72 -5.03 115.64 101.69 3hfr s THR 174 Ca 0.08 -1.06 0.16 0.00 -1.18 0.00 0.00 61.69 59.69 3hfr s THR 174 Cb 0.08 -2.21 0.63 0.00 1.34 0.00 0.00 72.50 72.34 3hfr s THR 174 CO 0.65 0.00 1.54 0.29 -0.54 0.00 0.00 174.62 176.56 3hfr n LYS 175 N -2.15 3.62 -1.66 3.99 5.02 -1.26 -5.02 118.16 120.69 3hfr n LYS 175 Ca 0.13 -2.82 -0.46 0.00 -2.02 0.00 0.00 58.31 53.14 3hfr n LYS 175 Cb 0.62 -1.87 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3hfr n LYS 175 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hfr n ILE 176 N 0.48 0.11 0.40 -0.18 5.41 -1.26 -4.88 119.36 119.44 3hfr n ILE 176 Ca 0.23 -0.03 0.04 0.00 1.00 0.00 0.00 62.75 63.99 3hfr n ILE 176 Cb 0.89 -1.48 -0.02 0.00 -0.71 0.00 0.00 39.64 38.32 3hfr n ILE 176 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hfr n ASP 177 N 3.21 0.90 -3.77 4.38 5.75 -0.91 -4.84 116.55 121.26 3hfr n ASP 177 Ca 0.16 -0.95 -0.15 0.00 -0.01 0.00 0.00 54.79 53.85 3hfr n ASP 177 Cb 0.28 0.65 -0.16 0.00 -1.03 0.00 0.00 41.12 40.86 3hfr n ASP 177 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hfr s THR 178 N -1.46 -0.06 -0.18 2.12 2.01 -1.24 -0.78 115.64 116.05 3hfr s THR 178 Ca 0.06 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.29 3hfr s THR 178 Cb 0.07 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.50 3hfr s THR 178 CO 0.27 0.09 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 3hfr s VAL 179 N 1.10 2.07 -0.05 3.82 1.01 0.11 -0.44 120.40 128.01 3hfr s VAL 179 Ca -0.09 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 3hfr s VAL 179 Cb -0.13 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3hfr s VAL 179 CO -0.03 0.54 0.84 -0.63 0.00 0.00 0.00 175.10 175.82 3hfr s ILE 180 N 1.23 4.95 -0.99 2.22 1.01 0.46 -0.35 121.20 129.73 3hfr s ILE 180 Ca 0.04 1.74 -0.21 0.00 0.00 0.00 0.00 60.65 62.21 3hfr s ILE 180 Cb -0.13 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.24 3hfr s ILE 180 CO -0.12 0.18 1.34 -0.76 0.00 0.00 0.00 174.94 175.58 3hfr s LEU 181 N 1.08 4.10 -0.19 2.97 1.43 -0.54 -1.34 118.68 126.19 3hfr s LEU 181 Ca 0.44 -1.71 0.06 0.00 -1.03 0.00 0.00 54.13 51.89 3hfr s LEU 181 Cb -0.19 -2.51 0.46 0.00 0.03 0.00 0.00 46.19 43.98 3hfr s LEU 181 CO 0.21 -1.33 1.37 0.61 0.23 0.00 0.00 176.35 177.44 3hfr n GLY 182 N 6.31 2.83 2.88 -3.19 0.00 0.78 -4.57 105.19 110.24 3hfr n GLY 182 Ca 0.30 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3hfr n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfr n THR 184 N 3.86 0.90 0.14 0.00 -2.24 -1.26 -1.36 114.28 114.32 3hfr n THR 184 Ca -0.24 0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 3hfr n THR 184 Cb 0.52 -1.28 0.18 0.00 -2.10 0.00 0.00 70.33 67.65 3hfr n THR 184 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3hfr h HIS 185 N 0.00 0.00 0.00 4.78 3.86 -1.91 -3.38 115.15 118.50 3hfr h HIS 185 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3hfr h HIS 185 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3hfr h HIS 185 CO 0.00 0.61 -0.22 1.88 0.86 0.00 0.00 177.93 181.06 3hfr h TYR 186 N 0.00 0.00 -0.01 2.45 0.05 -1.57 -2.73 116.97 115.16 3hfr h TYR 186 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hfr h TYR 186 Cb 1.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 3hfr h TYR 186 CO 0.00 0.22 0.11 -1.35 -1.05 0.00 0.00 178.16 176.09 3hfr h PRO 187 N 0.00 0.00 0.00 4.88 0.11 -1.77 0.12 132.00 135.33 3hfr h PRO 187 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hfr h PRO 187 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 3hfr h PRO 187 CO 0.03 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.73 3hfr h LEU 188 N 0.00 0.00 -2.03 2.35 4.07 -1.79 -2.20 115.31 115.72 3hfr h LEU 188 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hfr h LEU 188 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3hfr h LEU 188 CO -0.00 0.02 0.00 0.18 -1.08 0.00 0.00 178.44 177.56 3hfr n LEU 189 N -3.14 3.08 -0.17 1.67 4.77 0.39 -4.76 117.00 118.84 3hfr n LEU 189 Ca -0.00 -1.19 -0.05 0.00 -0.03 0.00 0.00 56.01 54.74 3hfr n LEU 189 Cb 0.26 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3hfr n LEU 189 CO 0.26 0.60 1.04 0.50 -1.33 0.00 0.00 177.39 178.46 3hfr h LYS 190 N 4.37 0.54 -1.00 3.23 3.64 -1.24 -0.58 116.57 125.53 3hfr h LYS 190 Ca 0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3hfr h LYS 190 Cb 0.95 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 3hfr h LYS 190 CO 0.00 0.36 0.63 -1.35 -2.27 0.00 0.00 179.45 176.82 3hfr h PRO 191 N 0.55 1.02 -0.32 1.90 0.11 -1.86 0.15 132.00 133.55 3hfr h PRO 191 Ca 0.21 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 3hfr h PRO 191 Cb 0.08 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3hfr h PRO 191 CO -0.12 0.67 -0.12 0.82 -0.21 0.00 0.00 178.00 179.04 3hfr h ILE 192 N 1.05 1.29 -0.63 4.15 2.04 -1.63 -2.05 117.51 121.73 3hfr h ILE 192 Ca 0.47 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3hfr h ILE 192 Cb 0.38 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3hfr h ILE 192 CO -0.24 0.39 0.24 0.40 0.00 0.00 0.00 178.15 178.95 3hfr h ILE 193 N 0.41 1.24 -0.45 -0.67 2.04 -0.58 -2.06 117.51 117.44 3hfr h ILE 193 Ca 0.08 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 3hfr h ILE 193 Cb 0.63 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3hfr h ILE 193 CO 0.04 0.29 0.05 -0.33 0.00 0.00 0.00 178.15 178.20 3hfr h GLU 194 N 0.88 0.76 -0.58 2.37 5.08 -0.68 -2.90 114.58 119.50 3hfr h GLU 194 Ca 0.21 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hfr h GLU 194 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3hfr h GLU 194 CO -0.02 0.79 0.36 -0.91 -1.00 0.00 0.00 179.01 178.24 3hfr h ASN 195 N 0.61 0.60 0.00 1.42 2.35 -1.30 0.21 115.58 119.48 3hfr h ASN 195 Ca 0.13 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3hfr h ASN 195 Cb 0.42 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3hfr h ASN 195 CO 0.01 0.43 0.00 0.33 -1.65 0.00 0.00 177.43 176.55 3hfr n PHE 196 N -4.73 0.00 -3.89 1.19 7.35 -0.78 -4.94 117.46 111.66 3hfr n PHE 196 Ca 0.05 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.74 3hfr n PHE 196 Cb 0.06 -0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.89 3hfr n PHE 196 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hfr n GLY 198 N -0.10 0.50 0.00 7.13 0.00 0.74 -5.11 105.19 108.35 3hfr n GLY 198 Ca 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.15 3hfr n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hfr n ASP 199 N -0.78 0.02 0.04 1.61 8.00 -1.26 -3.18 116.55 121.00 3hfr n ASP 199 Ca 0.02 0.50 0.13 0.00 0.71 0.00 0.00 54.79 56.15 3hfr n ASP 199 Cb 0.35 -0.51 0.46 0.00 -0.02 0.00 0.00 41.12 41.40 3hfr n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfr n GLY 200 N 0.85 -1.53 3.18 0.44 0.00 -1.26 -4.77 105.19 102.10 3hfr n GLY 200 Ca 0.05 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3hfr n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfr s VAL 201 N -3.05 2.49 -0.17 1.61 1.01 -1.19 -4.74 120.40 116.36 3hfr s VAL 201 Ca 0.12 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 3hfr s VAL 201 Cb 0.16 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3hfr s VAL 201 CO 0.59 0.46 0.97 0.00 0.00 0.00 0.00 175.10 177.11 3hfr s ALA 202 N 1.34 3.53 -0.27 5.51 0.00 0.04 -4.86 121.76 127.04 3hfr s ALA 202 Ca 0.04 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 3hfr s ALA 202 Cb -0.14 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3hfr s ALA 202 CO -0.09 -0.77 0.16 0.08 0.00 0.00 0.00 175.76 175.14 3hfr s VAL 203 N 2.46 5.10 -0.27 0.00 1.01 -1.26 -0.71 120.40 126.72 3hfr s VAL 203 Ca 0.44 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 3hfr s VAL 203 Cb -0.17 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3hfr s VAL 203 CO 0.12 0.27 0.18 -0.63 0.00 0.00 0.00 175.10 175.04 3hfr s ILE 204 N 1.71 5.26 -0.32 2.22 -1.09 0.53 -4.97 121.20 124.54 3hfr s ILE 204 Ca 0.07 0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.45 3hfr s ILE 204 Cb -0.16 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 3hfr s ILE 204 CO 0.09 0.26 0.55 0.21 -1.23 0.00 0.00 174.94 174.82 3hfr s ASN 205 N 1.69 6.38 0.00 3.58 3.84 -1.26 -1.47 114.94 127.71 3hfr s ASN 205 Ca 0.07 0.20 0.22 0.00 0.21 0.00 0.00 52.86 53.56 3hfr s ASN 205 Cb -0.16 -2.29 1.30 0.00 -0.55 0.00 0.00 41.25 39.56 3hfr s ASN 205 CO 0.10 -0.45 1.69 -1.54 -2.79 0.00 0.00 177.10 174.11 3hfr n SER 206 N 5.76 0.00 0.06 -4.21 3.41 -1.26 -3.95 113.62 113.42 3hfr n SER 206 Ca -0.04 -0.67 -0.07 0.00 -0.26 0.00 0.00 58.87 57.84 3hfr n SER 206 Cb 0.49 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 3hfr n SER 206 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hfr h GLY 207 N 3.43 0.38 0.91 5.00 0.00 -1.93 -1.97 103.07 108.90 3hfr h GLY 207 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3hfr h GLY 207 CO 0.00 0.43 -0.30 -2.09 0.00 0.00 0.00 176.54 174.58 3hfr h GLU 208 N 0.26 0.60 -0.24 4.80 4.81 -1.84 -0.85 114.58 122.12 3hfr h GLU 208 Ca -0.01 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 58.73 3hfr h GLU 208 Cb 1.15 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3hfr h GLU 208 CO 0.10 0.95 -0.44 1.49 -0.73 0.00 0.00 179.01 180.38 3hfr h GLU 209 N 0.29 0.60 -0.55 1.92 4.57 -1.82 -2.08 114.58 117.51 3hfr h GLU 209 Ca 0.03 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 3hfr h GLU 209 Cb 0.87 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 3hfr h GLU 209 CO 0.07 0.92 0.24 1.15 -1.18 0.00 0.00 179.01 180.21 3hfr h THR 210 N 0.48 1.21 -0.41 0.32 2.02 -1.25 -2.08 112.91 113.21 3hfr h THR 210 Ca 0.03 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 3hfr h THR 210 Cb 0.96 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3hfr h THR 210 CO 0.09 0.25 -0.06 0.00 0.37 0.00 0.00 175.52 176.16 3hfr h ALA 211 N 1.08 1.13 -0.62 6.16 0.00 -1.03 -0.36 119.26 125.64 3hfr h ALA 211 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hfr h ALA 211 Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hfr h ALA 211 CO -0.02 0.55 0.13 0.77 0.00 0.00 0.00 179.25 180.68 3hfr h SER 212 N 0.64 0.96 -0.03 0.00 0.02 -1.25 -0.85 113.55 113.04 3hfr h SER 212 Ca 0.12 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3hfr h SER 212 Cb 0.49 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3hfr h SER 212 CO 0.03 0.96 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.37 3hfr h GLU 213 N 0.92 0.42 -0.41 3.45 4.81 -0.66 0.27 114.58 123.38 3hfr h GLU 213 Ca 0.19 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3hfr h GLU 213 Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3hfr h GLU 213 CO 0.01 0.62 0.22 0.28 -0.73 0.00 0.00 179.01 179.41 3hfr h VAL 214 N 0.38 1.15 -0.20 0.32 2.07 -0.75 -0.99 116.25 118.22 3hfr h VAL 214 Ca 0.06 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3hfr h VAL 214 Cb 0.60 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3hfr h VAL 214 CO 0.04 0.16 0.11 -1.28 0.02 0.00 0.00 177.57 176.62 3hfr h SER 215 N 0.53 0.26 -0.24 0.57 0.87 -0.56 -1.82 113.55 113.16 3hfr h SER 215 Ca 0.14 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3hfr h SER 215 Cb 0.06 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 3hfr h SER 215 CO -0.02 0.28 -0.15 0.00 -0.53 0.00 0.00 176.83 176.41 3hfr h ALA 216 N 0.99 0.03 -0.47 6.23 0.00 -0.32 -0.08 119.26 125.64 3hfr h ALA 216 Ca 0.07 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3hfr h ALA 216 Cb 0.08 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hfr h ALA 216 CO -0.01 -0.57 -0.18 -0.07 0.00 0.00 0.00 179.25 178.42 3hfr h LEU 217 N -0.14 0.93 -0.03 0.00 3.38 -1.05 0.13 115.31 118.54 3hfr h LEU 217 Ca 0.13 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hfr h LEU 217 Cb 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hfr h LEU 217 CO -0.32 1.09 0.01 -0.07 0.09 0.00 0.00 178.44 179.24 3hfr h LEU 218 N 0.81 0.04 -0.79 1.67 3.38 -1.10 -1.52 115.31 117.79 3hfr h LEU 218 Ca 0.11 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3hfr h LEU 218 Cb 0.73 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3hfr h LEU 218 CO 0.06 0.21 0.50 -0.78 0.09 0.00 0.00 178.44 178.52 3hfr h ASP 219 N -0.14 0.81 -0.29 -0.43 1.82 -0.92 0.35 116.42 117.62 3hfr h ASP 219 Ca 0.01 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.69 3hfr h ASP 219 Cb 0.18 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 3hfr h ASP 219 CO -0.00 0.55 0.08 0.22 -1.61 0.00 0.00 179.24 178.48 3hfr h TYR 220 N 0.96 0.13 -0.56 0.28 3.20 -0.37 -2.90 116.97 117.72 3hfr h TYR 220 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 3hfr h TYR 220 Cb 0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hfr h TYR 220 CO -0.03 0.05 0.00 0.72 -1.64 0.00 0.00 178.16 177.26 3hfr n HIS 221 N -5.06 1.30 -3.24 -3.82 8.25 -0.61 -4.92 115.22 107.13 3hfr n HIS 221 Ca -0.00 -0.52 -0.23 0.00 -0.26 0.00 0.00 57.72 56.71 3hfr n HIS 221 Cb 0.12 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.03 3hfr n HIS 221 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hfr n ASN 222 N 0.93 -5.45 -0.85 0.41 4.13 -0.68 -4.90 115.26 108.85 3hfr n ASN 222 Ca 0.22 -0.38 0.12 0.00 1.68 0.00 0.00 54.58 56.23 3hfr n ASN 222 Cb 0.79 -4.40 0.16 0.00 -1.54 0.00 0.00 39.78 34.79 3hfr n ASN 222 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hfr n LEU 223 N -4.11 2.69 -4.77 3.41 4.77 0.03 -4.96 117.00 114.05 3hfr n LEU 223 Ca -0.06 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 3hfr n LEU 223 Cb 0.59 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 3hfr n LEU 223 CO 0.52 0.45 1.06 -0.76 -1.33 0.00 0.00 177.39 177.34 3hfr s LEU 224 N -2.04 4.35 0.05 2.23 1.43 -1.24 -4.94 118.68 118.52 3hfr s LEU 224 Ca 0.29 2.88 -0.31 0.00 -1.03 0.00 0.00 54.13 55.96 3hfr s LEU 224 Cb 0.20 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 3hfr s LEU 224 CO 0.33 -0.75 1.19 -0.62 0.23 0.00 0.00 176.35 176.72 3hfr s ASP 225 N -0.33 7.09 -0.29 2.29 2.15 -1.26 -4.92 116.67 121.40 3hfr s ASP 225 Ca 0.52 1.99 0.09 0.00 0.43 0.00 0.00 52.55 55.58 3hfr s ASP 225 Cb -0.43 -2.58 0.52 0.00 -0.30 0.00 0.00 42.92 40.13 3hfr s ASP 225 CO 0.58 -0.46 1.49 0.00 -0.17 0.00 0.00 175.17 176.61 3hfr n ALA 226 N 3.98 4.25 -2.60 3.66 0.00 -1.26 -4.97 120.51 123.57 3hfr n ALA 226 Ca 0.09 -3.02 -0.26 0.00 0.00 0.00 0.00 53.44 50.25 3hfr n ALA 226 Cb 0.47 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 3hfr n ALA 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hfr s THR 227 N -3.20 3.30 -0.96 0.00 2.01 -1.26 -5.02 115.64 110.50 3hfr s THR 227 Ca 0.45 -1.71 0.18 0.00 0.31 0.00 0.00 61.69 60.91 3hfr s THR 227 Cb 0.40 -2.67 0.72 0.00 0.01 0.00 0.00 72.50 70.96 3hfr s THR 227 CO 0.02 -0.18 1.63 -0.90 -0.69 0.00 0.00 174.62 174.49 3hfr n ASP 228 N -0.23 4.82 -4.73 3.53 5.75 -1.26 -4.98 116.55 119.46 3hfr n ASP 228 Ca -0.09 -2.53 -0.39 0.00 -0.01 0.00 0.00 54.79 51.77 3hfr n ASP 228 Cb 0.56 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3hfr n ASP 228 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hfr n GLU 229 N 0.97 1.81 -2.09 0.11 1.02 -1.26 -4.90 120.64 116.30 3hfr n GLU 229 Ca 0.26 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 3hfr n GLU 229 Cb 0.92 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 3hfr n GLU 229 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hfr s GLU 230 N -2.61 4.31 -0.02 3.49 2.12 -1.26 -4.95 118.70 119.78 3hfr s GLU 230 Ca 0.67 2.20 -0.30 0.00 0.36 0.00 0.00 54.97 57.90 3hfr s GLU 230 Cb -0.45 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3hfr s GLU 230 CO 0.53 -0.39 1.17 0.42 -0.54 0.00 0.00 175.26 176.46 3hfr s ILE 231 N 0.28 4.27 -0.58 -3.70 1.01 -1.26 -4.99 121.20 116.23 3hfr s ILE 231 Ca 0.60 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.90 3hfr s ILE 231 Cb -0.40 -4.03 0.15 0.00 0.01 0.00 0.00 42.46 38.19 3hfr s ILE 231 CO 0.39 0.04 0.35 -1.61 0.00 0.00 0.00 174.94 174.11 3hfr s GLU 232 N 1.79 2.04 0.24 2.79 2.02 -1.26 -5.10 118.70 121.21 3hfr s GLU 232 Ca 0.56 -2.80 -0.30 0.00 0.02 0.00 0.00 54.97 52.45 3hfr s GLU 232 Cb -0.25 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.72 3hfr s GLU 232 CO 0.24 -1.19 1.38 -1.01 0.02 0.00 0.00 175.26 174.70 3hfr s HIS 233 N -0.64 3.10 -0.08 1.61 3.76 -1.26 -4.76 115.29 117.02 3hfr s HIS 233 Ca 0.21 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 56.28 3hfr s HIS 233 Cb -0.16 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.79 3hfr s HIS 233 CO -0.07 -2.33 -0.19 1.03 -0.85 0.00 0.00 174.74 172.33 3hfr s ARG 234 N -0.41 2.35 -0.02 1.40 1.81 -0.56 -4.53 118.95 118.99 3hfr s ARG 234 Ca 0.58 -0.67 0.08 0.00 -1.72 0.00 0.00 55.73 53.99 3hfr s ARG 234 Cb -0.40 -1.86 -0.02 0.00 -0.45 0.00 0.00 34.95 32.23 3hfr s ARG 234 CO 0.42 0.14 -0.25 -0.06 -0.68 0.00 0.00 175.30 174.87 3hfr s PHE 235 N 0.41 2.37 -0.00 -0.53 0.08 -1.02 -1.41 117.98 117.87 3hfr s PHE 235 Ca -0.15 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.51 3hfr s PHE 235 Cb -0.16 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3hfr s PHE 235 CO 0.06 -0.03 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.96 3hfr s PHE 236 N -0.60 1.16 0.02 0.36 0.08 0.02 -0.88 117.98 118.15 3hfr s PHE 236 Ca 0.09 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3hfr s PHE 236 Cb -0.10 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 3hfr s PHE 236 CO -0.01 -0.01 -0.03 -0.08 -0.10 0.00 0.00 175.22 174.99 3hfr s THR 237 N -0.38 0.11 -1.94 0.64 -1.32 0.06 -1.52 115.64 111.29 3hfr s THR 237 Ca 0.04 -0.77 0.28 0.00 -1.21 0.00 0.00 61.69 60.04 3hfr s THR 237 Cb -0.05 -0.23 0.47 0.00 -1.51 0.00 0.00 72.50 71.17 3hfr s THR 237 CO -0.00 -0.41 1.78 0.35 -2.21 0.00 0.00 174.62 174.12 3hfr n THR 238 N 1.83 0.00 -1.67 5.08 -2.24 -0.91 -1.81 114.28 114.56 3hfr n THR 238 Ca -0.22 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hfr n THR 238 Cb 0.56 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3hfr n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hfr n GLY 239 N 1.24 3.48 3.74 3.38 0.00 -1.26 -4.31 105.19 111.47 3hfr n GLY 239 Ca 0.16 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 3hfr n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfr s SER 240 N -0.19 7.37 0.27 1.61 0.15 -1.26 -4.77 113.70 116.88 3hfr s SER 240 Ca 0.00 1.63 0.07 0.00 0.70 0.00 0.00 55.95 58.35 3hfr s SER 240 Cb 0.00 -2.53 0.38 0.00 -1.71 0.00 0.00 66.02 62.16 3hfr s SER 240 CO 0.00 -0.01 1.64 0.71 1.20 0.00 0.00 173.24 176.78 3hfr h THR 241 N 4.02 1.35 -0.08 6.45 1.35 -1.93 -3.14 112.91 120.93 3hfr h THR 241 Ca -0.44 -1.76 -0.06 0.00 -0.55 0.00 0.00 66.41 63.61 3hfr h THR 241 Cb 1.21 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3hfr h THR 241 CO 0.71 0.52 -0.16 -0.61 -0.25 0.00 0.00 175.52 175.73 3hfr h GLN 242 N 0.16 0.26 -0.96 4.72 5.75 -1.96 0.49 115.11 123.58 3hfr h GLN 242 Ca 0.00 -0.17 0.07 0.00 -0.15 0.00 0.00 58.65 58.41 3hfr h GLN 242 Cb 0.96 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.46 3hfr h GLN 242 CO 0.08 0.75 0.61 0.97 -2.65 0.00 0.00 178.83 178.59 3hfr h ILE 243 N -0.20 1.04 -0.32 2.39 6.09 -2.00 0.12 117.51 124.63 3hfr h ILE 243 Ca 0.00 -0.37 -0.03 0.00 -1.37 0.00 0.00 64.86 63.09 3hfr h ILE 243 Cb 0.74 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 3hfr h ILE 243 CO 0.04 0.20 0.07 0.15 -3.07 0.00 0.00 178.15 175.53 3hfr h PHE 244 N 1.08 0.55 -0.61 2.19 3.57 -1.46 -2.42 116.94 119.83 3hfr h PHE 244 Ca 0.43 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.88 3hfr h PHE 244 Cb 0.22 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3hfr h PHE 244 CO -0.01 0.58 0.38 0.87 -2.23 0.00 0.00 178.31 177.89 3hfr h LYS 245 N 0.37 0.72 -0.50 1.11 1.57 -0.20 0.95 116.57 120.58 3hfr h LYS 245 Ca 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hfr h LYS 245 Cb 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hfr h LYS 245 CO 0.00 0.47 0.19 -0.44 -0.57 0.00 0.00 179.45 179.11 3hfr h ASP 246 N 0.74 0.66 0.02 0.86 3.32 -0.59 0.21 116.42 121.64 3hfr h ASP 246 Ca 0.25 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3hfr h ASP 246 Cb 0.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3hfr h ASP 246 CO -0.10 0.60 -0.16 0.40 -1.72 0.00 0.00 179.24 178.25 3hfr h ILE 247 N 0.72 1.67 -0.41 0.35 2.04 -1.09 -3.18 117.51 117.60 3hfr h ILE 247 Ca 0.17 -2.17 0.03 0.00 1.00 0.00 0.00 64.86 63.90 3hfr h ILE 247 Cb 0.15 3.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3hfr h ILE 247 CO -0.02 0.58 0.20 0.00 0.00 0.00 0.00 178.15 178.92 3hfr h ALA 248 N 0.12 0.51 0.00 1.87 0.00 -0.69 -1.39 119.26 119.68 3hfr h ALA 248 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hfr h ALA 248 Cb 1.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hfr h ALA 248 CO 0.03 -0.15 -0.13 0.87 0.00 0.00 0.00 179.25 179.87 3hfr h LYS 249 N 0.41 0.00 0.10 0.00 1.57 -0.71 0.31 116.57 118.26 3hfr h LYS 249 Ca 0.18 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.70 3hfr h LYS 249 Cb 0.08 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hfr h LYS 249 CO -0.12 0.13 -1.05 0.22 -0.57 0.00 0.00 179.45 178.05 3hfr h ASP 250 N 0.00 0.75 0.06 0.86 3.58 -1.37 -3.37 116.42 116.92 3hfr h ASP 250 Ca -0.00 -0.83 -0.21 0.00 0.42 0.00 0.00 57.03 56.40 3hfr h ASP 250 Cb 0.42 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 41.26 3hfr h ASP 250 CO 0.02 1.51 -0.86 -0.25 -2.88 0.00 0.00 179.24 176.78 3hfr h TRP 251 N 0.10 0.76 -3.06 0.28 2.91 -0.81 -3.45 115.95 112.68 3hfr h TRP 251 Ca -0.16 -0.45 -0.58 0.00 1.13 0.00 0.00 58.89 58.83 3hfr h TRP 251 Cb 1.76 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 30.30 3hfr h TRP 251 CO 0.14 1.29 -0.36 -0.51 -1.03 0.00 0.00 178.44 177.97 3hfr s LEU 252 N -8.11 4.28 -0.32 0.65 1.43 0.10 -5.01 118.68 111.71 3hfr s LEU 252 Ca -0.12 0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 3hfr s LEU 252 Cb 0.04 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 3hfr s LEU 252 CO 0.86 0.07 0.66 0.21 0.23 0.00 0.00 176.35 178.39 3hfr s ASN 253 N -2.56 6.51 0.00 2.29 3.84 -1.26 -4.48 114.94 119.28 3hfr s ASN 253 Ca 0.39 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.85 3hfr s ASN 253 Cb -0.12 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 3hfr s ASN 253 CO 0.26 -0.54 0.00 -2.65 -2.79 0.00 0.00 177.10 171.38 3hfr n PRO 255 N 6.00 0.00 -3.72 0.43 -0.02 -1.26 -5.15 135.00 131.27 3hfr n PRO 255 Ca -0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3hfr n PRO 255 Cb 0.49 -0.16 -0.11 0.00 -0.02 0.00 0.00 33.50 33.70 3hfr n PRO 255 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hfr s ASP 256 N -1.34 5.81 -0.25 2.55 1.01 -1.26 -5.10 116.67 118.09 3hfr s ASP 256 Ca 0.00 0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 3hfr s ASP 256 Cb 0.00 -2.05 0.13 0.00 1.01 0.00 0.00 42.92 42.02 3hfr s ASP 256 CO 0.00 0.04 0.36 -0.89 0.21 0.00 0.00 175.17 174.89 3hfr s THR 258 N 1.22 -0.57 -0.10 -1.27 2.01 -1.26 -5.10 115.64 110.57 3hfr s THR 258 Ca 0.06 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3hfr s THR 258 Cb -0.14 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 3hfr s THR 258 CO 0.05 -0.19 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.91 3hfr s VAL 259 N 2.51 2.52 0.05 3.82 1.01 -1.26 -2.44 120.40 126.61 3hfr s VAL 259 Ca 0.11 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3hfr s VAL 259 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3hfr s VAL 259 CO -0.19 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 173.70 3hfr s GLU 260 N 0.17 0.93 -0.10 2.72 2.02 -0.06 -4.97 118.70 119.41 3hfr s GLU 260 Ca -0.11 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 53.93 3hfr s GLU 260 Cb -0.16 -0.95 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 3hfr s GLU 260 CO 0.06 0.23 0.37 -1.58 0.02 0.00 0.00 175.26 174.36 3hfr s HIS 261 N -0.93 3.56 0.35 1.61 5.65 -1.26 -0.76 115.29 123.50 3hfr s HIS 261 Ca 0.01 0.79 0.04 0.00 0.25 0.00 0.00 55.06 56.14 3hfr s HIS 261 Cb -0.08 -2.37 -0.03 0.00 -1.18 0.00 0.00 32.58 28.91 3hfr s HIS 261 CO 0.01 0.35 0.14 0.96 -0.65 0.00 0.00 174.74 175.56 3hfr s ILE 262 N 0.02 0.51 -0.01 0.89 -4.36 -0.75 -4.92 121.20 112.57 3hfr s ILE 262 Ca 0.21 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.68 3hfr s ILE 262 Cb -0.15 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 3hfr s ILE 262 CO 0.08 0.00 -0.25 -0.54 0.24 0.00 0.00 174.94 174.47 3hfr s LYS 263 N -3.76 2.11 -0.04 0.37 1.02 -1.26 -4.43 119.74 113.74 3hfr s LYS 263 Ca 0.31 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.41 3hfr s LYS 263 Cb 0.04 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3hfr s LYS 263 CO 0.17 0.56 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.50 3hfr s LEU 264 N -0.70 1.83 0.00 3.17 1.43 -1.26 -5.14 118.68 118.01 3hfr s LEU 264 Ca 0.10 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3hfr s LEU 264 Cb -0.10 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.27 3hfr s LEU 264 CO -0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.29