#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfj s ARG 2 N 0.00 4.26 -0.45 3.17 0.52 -0.39 -4.71 118.95 121.35 3hfj s ARG 2 Ca 0.00 2.22 -0.19 0.00 -0.52 0.00 0.00 55.73 57.24 3hfj s ARG 2 Cb 0.00 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.21 3hfj s ARG 2 CO 0.00 -0.56 0.56 0.15 0.02 0.00 0.00 175.30 175.46 3hfj s LYS 3 N 1.47 3.17 -0.08 3.54 1.02 -1.26 0.31 119.74 127.91 3hfj s LYS 3 Ca 0.68 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.06 3hfj s LYS 3 Cb -0.40 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 3hfj s LYS 3 CO 0.31 -1.00 -0.20 0.42 -0.92 0.00 0.00 175.35 173.96 3hfj s ILE 4 N 2.50 1.73 0.34 2.17 1.09 -0.80 -0.39 121.20 127.84 3hfj s ILE 4 Ca 0.17 -0.84 -0.13 0.00 -1.10 0.00 0.00 60.65 58.75 3hfj s ILE 4 Cb -0.17 -1.50 -0.08 0.00 -1.06 0.00 0.00 42.46 39.65 3hfj s ILE 4 CO 0.15 0.49 0.73 -0.83 -0.10 0.00 0.00 174.94 175.37 3hfj s GLY 5 N 0.35 2.18 -0.09 6.18 0.00 0.10 -0.66 107.32 115.38 3hfj s GLY 5 Ca -0.15 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.50 3hfj s GLY 5 CO 0.06 0.10 -0.13 -0.42 0.00 0.00 0.00 173.10 172.71 3hfj s ILE 6 N -2.11 1.28 -0.23 0.90 -1.09 0.87 -0.38 121.20 120.45 3hfj s ILE 6 Ca 0.52 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.43 3hfj s ILE 6 Cb -0.10 -1.19 0.05 0.00 -1.58 0.00 0.00 42.46 39.64 3hfj s ILE 6 CO 0.23 0.40 -0.08 -0.51 -1.23 0.00 0.00 174.94 173.74 3hfj s ILE 7 N 0.94 1.69 0.24 2.92 2.07 0.01 -1.16 121.20 127.92 3hfj s ILE 7 Ca -0.09 -1.21 0.05 0.00 -1.41 0.00 0.00 60.65 57.99 3hfj s ILE 7 Cb -0.15 -1.85 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 3hfj s ILE 7 CO -0.00 0.02 0.33 -0.83 -1.91 0.00 0.00 174.94 172.55 3hfj s GLY 8 N 1.34 1.25 0.00 1.50 0.00 -1.26 -0.71 107.32 109.44 3hfj s GLY 8 Ca -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3hfj s GLY 8 CO -0.07 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.35 3hfj n GLY 9 N -1.37 -0.43 0.13 0.20 0.00 -1.10 -4.93 105.19 97.70 3hfj n GLY 9 Ca -0.09 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.76 3hfj n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hfj h THR 10 N 4.30 0.00 -6.17 2.61 1.35 -1.87 0.26 112.91 113.38 3hfj h THR 10 Ca 0.00 -0.87 -0.33 0.00 -0.55 0.00 0.00 66.41 64.66 3hfj h THR 10 Cb 0.00 1.53 0.03 0.00 -1.73 0.00 0.00 68.15 67.98 3hfj h THR 10 CO 0.00 0.00 -0.72 0.49 -0.25 0.00 0.00 175.52 175.04 3hfj n PHE 11 N -2.65 -2.27 -3.17 4.73 3.01 -1.26 -4.76 117.46 111.10 3hfj n PHE 11 Ca 0.02 0.79 -0.22 0.00 1.01 0.00 0.00 57.45 59.05 3hfj n PHE 11 Cb 0.52 -3.38 -0.05 0.00 -0.01 0.00 0.00 39.48 36.56 3hfj n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hfj n ASP 12 N -2.37 1.62 -4.96 4.37 2.03 -1.26 -3.22 116.55 112.75 3hfj n ASP 12 Ca -0.15 -3.10 -0.22 0.00 0.52 0.00 0.00 54.79 51.84 3hfj n ASP 12 Cb 0.60 -0.62 0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3hfj n ASP 12 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hfj s PRO 13 N -2.32 3.01 0.39 -0.67 0.04 -1.26 -4.75 135.00 129.43 3hfj s PRO 13 Ca 0.40 -0.56 -0.27 0.00 0.04 0.00 0.00 61.00 60.62 3hfj s PRO 13 Cb 0.27 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 3hfj s PRO 13 CO -0.09 -0.29 1.30 -1.25 0.04 0.00 0.00 177.00 176.71 3hfj s PRO 14 N -4.55 4.05 0.32 0.56 0.04 -1.20 -4.66 135.00 129.56 3hfj s PRO 14 Ca 0.49 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.70 3hfj s PRO 14 Cb -0.10 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3hfj s PRO 14 CO 0.37 -0.43 0.37 -3.38 0.04 0.00 0.00 177.00 173.97 3hfj s HIS 15 N -1.24 1.31 0.54 0.56 -3.43 -1.26 -4.81 115.29 106.96 3hfj s HIS 15 Ca 0.55 -1.42 0.21 0.00 -0.80 0.00 0.00 55.06 53.60 3hfj s HIS 15 Cb -0.38 -0.36 1.43 0.00 -1.43 0.00 0.00 32.58 31.84 3hfj s HIS 15 CO 0.50 -0.98 2.14 1.88 -2.00 0.00 0.00 174.74 176.28 3hfj h TYR 16 N 2.18 0.00 -0.30 0.38 0.99 -1.69 -1.55 116.97 116.98 3hfj h TYR 16 Ca -0.28 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.51 3hfj h TYR 16 Cb 1.24 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.92 3hfj h TYR 16 CO 1.41 0.00 -0.02 0.78 -0.00 0.00 0.00 178.16 180.33 3hfj h GLY 17 N 0.00 0.28 0.90 3.88 0.00 -1.85 0.26 103.07 106.54 3hfj h GLY 17 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hfj h GLY 17 CO -0.00 -0.08 0.03 0.45 0.00 0.00 0.00 176.54 176.94 3hfj h HIS 18 N 0.06 0.09 -0.73 5.60 3.86 -1.66 -2.03 115.15 120.35 3hfj h HIS 18 Ca 0.15 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3hfj h HIS 18 Cb 0.20 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3hfj h HIS 18 CO -0.24 0.16 0.35 -0.07 0.86 0.00 0.00 177.93 179.00 3hfj h LEU 19 N -0.01 0.94 -0.53 2.43 3.38 -1.34 -0.97 115.31 119.21 3hfj h LEU 19 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hfj h LEU 19 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hfj h LEU 19 CO -0.00 0.79 0.22 0.25 0.09 0.00 0.00 178.44 179.79 3hfj h LEU 20 N 1.03 0.72 -0.09 1.67 5.85 -0.30 -0.16 115.31 124.04 3hfj h LEU 20 Ca 0.25 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hfj h LEU 20 Cb 0.10 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hfj h LEU 20 CO -0.03 0.68 0.02 0.40 -0.34 0.00 0.00 178.44 179.17 3hfj h ILE 21 N 0.71 1.19 -0.55 4.05 2.04 -0.93 -1.22 117.51 122.80 3hfj h ILE 21 Ca 0.18 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3hfj h ILE 21 Cb 0.18 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3hfj h ILE 21 CO -0.02 0.17 0.31 0.00 0.00 0.00 0.00 178.15 178.61 3hfj h ALA 22 N 0.81 0.71 -0.47 1.87 0.00 -1.07 -2.31 119.26 118.80 3hfj h ALA 22 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hfj h ALA 22 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hfj h ALA 22 CO 0.00 0.01 0.14 -0.97 0.00 0.00 0.00 179.25 178.43 3hfj h ASN 23 N 0.61 0.68 -0.73 0.00 -0.00 -0.96 -1.26 115.58 113.92 3hfj h ASN 23 Ca 0.23 -0.21 -0.06 0.00 -0.00 0.00 0.00 56.30 56.26 3hfj h ASN 23 Cb 0.07 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.18 3hfj h ASN 23 CO -0.12 0.71 0.22 -0.33 -0.00 0.00 0.00 177.43 177.91 3hfj h GLU 24 N 0.62 1.15 -0.12 6.67 4.39 -1.07 -1.32 114.58 124.91 3hfj h GLU 24 Ca 0.15 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 3hfj h GLU 24 Cb 0.27 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3hfj h GLU 24 CO -0.00 0.98 -0.36 0.28 -1.16 0.00 0.00 179.01 178.75 3hfj h VAL 25 N 1.09 1.38 -0.48 3.13 2.07 -1.39 0.14 116.25 122.18 3hfj h VAL 25 Ca 0.24 -1.67 0.10 0.00 0.82 0.00 0.00 66.70 66.18 3hfj h VAL 25 Cb 0.32 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 3hfj h VAL 25 CO -0.01 0.50 -0.14 0.22 0.02 0.00 0.00 177.57 178.16 3hfj h TYR 26 N 0.04 -0.30 -0.11 1.57 5.03 -1.08 -0.93 116.97 121.19 3hfj h TYR 26 Ca -0.01 0.05 -0.18 0.00 2.58 0.00 0.00 58.73 61.16 3hfj h TYR 26 Cb 0.98 0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.48 3hfj h TYR 26 CO 0.11 -0.23 -0.64 0.45 -1.32 0.00 0.00 178.16 176.54 3hfj h HIS 27 N -0.02 0.86 -0.74 -3.82 3.86 -1.22 -1.72 115.15 112.35 3hfj h HIS 27 Ca 0.23 -0.39 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 3hfj h HIS 27 Cb 0.38 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3hfj h HIS 27 CO -0.43 1.19 0.35 0.00 0.86 0.00 0.00 177.93 179.90 3hfj h ALA 28 N 0.49 0.95 -0.33 2.45 0.00 -0.53 -3.23 119.26 119.06 3hfj h ALA 28 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hfj h ALA 28 Cb 1.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hfj h ALA 28 CO 0.13 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3hfj n LEU 29 N -4.40 3.12 -3.78 0.00 4.77 -0.37 -4.98 117.00 111.37 3hfj n LEU 29 Ca 0.06 -1.53 -0.23 0.00 -0.03 0.00 0.00 56.01 54.28 3hfj n LEU 29 Cb 0.14 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3hfj n LEU 29 CO 0.39 0.69 -0.13 0.59 -1.33 0.00 0.00 177.39 177.60 3hfj n ASN 30 N 1.17 -1.30 -4.81 -1.43 5.03 -0.81 -4.97 115.26 108.13 3hfj n ASN 30 Ca 0.16 -0.90 -0.33 0.00 0.87 0.00 0.00 54.58 54.38 3hfj n ASN 30 Cb 0.52 -3.66 -0.01 0.00 -1.02 0.00 0.00 39.78 35.61 3hfj n ASN 30 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hfj s LEU 31 N -6.74 3.61 0.06 3.41 1.43 -0.71 -4.92 118.68 114.82 3hfj s LEU 31 Ca 0.05 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.79 3hfj s LEU 31 Cb -0.02 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.53 3hfj s LEU 31 CO 0.84 -0.99 1.32 -0.08 0.23 0.00 0.00 176.35 177.67 3hfj h GLU 32 N 0.79 0.53 -3.09 1.70 4.81 -1.06 -3.47 114.58 114.78 3hfj h GLU 32 Ca -0.48 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.44 3hfj h GLU 32 Cb 1.22 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3hfj h GLU 32 CO 0.58 0.94 0.20 -1.83 -0.73 0.00 0.00 179.01 178.18 3hfj s GLU 33 N -4.06 1.91 -0.08 1.92 -1.05 -1.24 -4.89 118.70 111.21 3hfj s GLU 33 Ca -0.13 -1.17 0.04 0.00 -0.15 0.00 0.00 54.97 53.55 3hfj s GLU 33 Cb 0.06 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 3hfj s GLU 33 CO 0.81 -0.87 -0.19 0.08 0.95 0.00 0.00 175.26 176.03 3hfj s VAL 34 N -3.41 1.64 -0.22 1.83 1.01 0.23 -0.72 120.40 120.75 3hfj s VAL 34 Ca 0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3hfj s VAL 34 Cb -0.05 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3hfj s VAL 34 CO 0.09 0.47 0.13 0.26 0.00 0.00 0.00 175.10 176.05 3hfj s TRP 35 N 0.37 3.34 -0.13 5.22 0.51 0.49 -0.90 118.94 127.83 3hfj s TRP 35 Ca -0.14 0.22 -0.22 0.00 -2.12 0.00 0.00 56.10 53.84 3hfj s TRP 35 Cb -0.16 -2.20 -0.03 0.00 -0.81 0.00 0.00 33.47 30.27 3hfj s TRP 35 CO 0.06 0.16 0.68 -0.06 -0.51 0.00 0.00 176.95 177.27 3hfj s PHE 36 N 0.69 3.48 -0.57 -1.98 0.40 0.11 -0.81 117.98 119.31 3hfj s PHE 36 Ca 0.07 1.11 0.02 0.00 -0.60 0.00 0.00 56.93 57.53 3hfj s PHE 36 Cb -0.12 -2.81 0.14 0.00 0.51 0.00 0.00 43.02 40.74 3hfj s PHE 36 CO 0.01 -0.04 0.33 -1.17 0.70 0.00 0.00 175.22 175.06 3hfj s LEU 37 N 1.36 4.65 0.12 -0.37 2.96 0.12 -0.35 118.68 127.16 3hfj s LEU 37 Ca 0.34 -3.00 -0.31 0.00 -0.22 0.00 0.00 54.13 50.93 3hfj s LEU 37 Cb -0.17 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 3hfj s LEU 37 CO 0.14 -0.27 1.48 -2.16 -1.32 0.00 0.00 176.35 174.22 3hfj s PRO 38 N -0.28 4.27 0.51 0.98 0.04 -1.26 -2.69 135.00 136.57 3hfj s PRO 38 Ca 0.17 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3hfj s PRO 38 Cb -0.23 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 3hfj s PRO 38 CO -0.02 -0.54 0.96 -0.80 0.04 0.00 0.00 177.00 176.65 3hfj s ASN 39 N 1.29 6.57 0.41 6.66 0.02 0.08 -4.18 114.94 125.78 3hfj s ASN 39 Ca 0.67 1.49 -0.23 0.00 -1.02 0.00 0.00 52.86 53.78 3hfj s ASN 39 Cb -0.39 -2.48 -0.10 0.00 0.02 0.00 0.00 41.25 38.30 3hfj s ASN 39 CO 0.31 -0.59 0.99 -1.10 0.02 0.00 0.00 177.10 176.72 3hfj s GLN 40 N -4.16 4.21 -0.18 -0.60 -1.52 -1.26 -4.82 119.66 111.32 3hfj s GLN 40 Ca 0.57 1.30 -0.01 0.00 -1.95 0.00 0.00 55.36 55.28 3hfj s GLN 40 Cb -0.10 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 3hfj s GLN 40 CO 0.34 -0.06 -0.12 0.42 -0.25 0.00 0.00 175.29 175.61 3hfj s ILE 41 N -1.90 2.79 0.56 1.08 1.01 -1.26 -4.63 121.20 118.85 3hfj s ILE 41 Ca 0.59 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 3hfj s ILE 41 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3hfj s ILE 41 CO 0.20 0.49 1.13 -2.65 0.00 0.00 0.00 174.94 174.11 3hfj n PRO 42 N 4.40 1.25 -1.69 2.79 -0.02 -1.26 -4.92 135.00 135.55 3hfj n PRO 42 Ca -0.19 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 3hfj n PRO 42 Cb 0.51 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3hfj n PRO 42 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hfj n PRO 43 N -0.89 1.80 -1.86 0.52 -0.02 -1.26 -4.89 135.00 128.40 3hfj n PRO 43 Ca 0.12 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 3hfj n PRO 43 Cb 0.45 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3hfj n PRO 43 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hfj s HIS 44 N -1.22 2.78 0.53 6.00 2.46 -1.26 -4.90 115.29 119.68 3hfj s HIS 44 Ca 0.62 0.42 0.26 0.00 0.47 0.00 0.00 55.06 56.82 3hfj s HIS 44 Cb -0.51 -4.02 1.40 0.00 -0.13 0.00 0.00 32.58 29.33 3hfj s HIS 44 CO 0.57 -3.90 1.99 0.87 -2.47 0.00 0.00 174.74 171.80 3hfj h LYS 45 N 7.33 0.00 -0.12 2.88 1.79 -1.93 -1.82 116.57 124.70 3hfj h LYS 45 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3hfj h LYS 45 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3hfj h LYS 45 CO 0.93 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 180.34 3hfj n GLN 46 N -4.36 2.14 -1.22 3.15 6.02 -1.26 -4.96 117.38 116.89 3hfj n GLN 46 Ca 0.10 -2.56 -0.07 0.00 -0.01 0.00 0.00 57.00 54.45 3hfj n GLN 46 Cb 0.62 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3hfj n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hfj n GLY 47 N -0.89 0.82 3.89 1.08 0.00 -0.69 -5.00 105.19 104.40 3hfj n GLY 47 Ca 0.16 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hfj n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hfj s ARG 48 N -2.36 0.70 0.12 1.61 1.81 -1.26 -4.95 118.95 114.61 3hfj s ARG 48 Ca 0.00 -0.26 -0.31 0.00 -1.72 0.00 0.00 55.73 53.44 3hfj s ARG 48 Cb 0.00 -1.84 -0.09 0.00 -0.45 0.00 0.00 34.95 32.57 3hfj s ARG 48 CO 0.00 -2.39 1.60 -0.80 -0.68 0.00 0.00 175.30 173.03 3hfj s ASN 49 N -4.71 6.60 0.10 0.23 0.02 -1.26 -4.66 114.94 111.26 3hfj s ASN 49 Ca 0.71 2.54 0.10 0.00 -1.02 0.00 0.00 52.86 55.19 3hfj s ASN 49 Cb -0.06 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.60 3hfj s ASN 49 CO 0.53 -0.85 -0.25 0.27 0.02 0.00 0.00 177.10 176.82 3hfj s ILE 50 N 1.89 2.03 -0.15 0.60 -4.36 -1.26 -5.02 121.20 114.93 3hfj s ILE 50 Ca 0.72 -1.58 -0.29 0.00 -0.26 0.00 0.00 60.65 59.24 3hfj s ILE 50 Cb -0.42 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 3hfj s ILE 50 CO 0.32 0.11 1.28 -0.89 0.24 0.00 0.00 174.94 176.00 3hfj s THR 51 N -1.01 4.24 0.70 8.37 2.01 -1.26 -4.98 115.64 123.70 3hfj s THR 51 Ca 0.11 1.51 -0.16 0.00 0.31 0.00 0.00 61.69 63.45 3hfj s THR 51 Cb -0.10 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 3hfj s THR 51 CO 0.04 -0.12 0.78 -1.54 -0.69 0.00 0.00 174.62 173.10 3hfj n SER 52 N 6.50 -0.18 -0.35 3.53 3.41 -1.26 -4.75 113.62 120.53 3hfj n SER 52 Ca 0.14 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.41 3hfj n SER 52 Cb 0.45 -1.32 0.14 0.00 -0.26 0.00 0.00 64.21 63.22 3hfj n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3hfj h VAL 53 N -0.19 1.12 -0.22 -3.33 2.07 -1.98 -1.69 116.25 112.03 3hfj h VAL 53 Ca -0.47 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3hfj h VAL 53 Cb 1.35 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3hfj h VAL 53 CO 0.46 0.21 -0.16 -0.08 0.02 0.00 0.00 177.57 178.02 3hfj h GLU 54 N 1.15 -0.15 -0.17 1.57 4.81 -1.99 -0.11 114.58 119.70 3hfj h GLU 54 Ca 0.39 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3hfj h GLU 54 Cb 0.08 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3hfj h GLU 54 CO -0.14 -0.10 0.03 0.77 -0.73 0.00 0.00 179.01 178.84 3hfj h SER 55 N -0.15 0.26 -0.92 1.04 0.02 -1.79 -1.85 113.55 110.15 3hfj h SER 55 Ca 0.13 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3hfj h SER 55 Cb 0.34 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3hfj h SER 55 CO -0.31 0.44 0.53 0.03 -1.14 0.00 0.00 176.83 176.37 3hfj h ARG 56 N 0.07 1.27 -0.46 3.45 3.08 -1.17 -1.27 114.38 119.34 3hfj h ARG 56 Ca 0.05 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3hfj h ARG 56 Cb 0.29 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hfj h ARG 56 CO 0.00 0.91 0.03 1.25 -1.07 0.00 0.00 179.97 181.09 3hfj h LEU 57 N 1.28 0.78 -0.52 3.04 5.85 -0.90 -2.01 115.31 122.83 3hfj h LEU 57 Ca 0.33 -0.29 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 3hfj h LEU 57 Cb -0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3hfj h LEU 57 CO -0.06 0.88 -0.28 -0.61 -0.34 0.00 0.00 178.44 178.04 3hfj h GLN 58 N 0.66 0.91 -0.85 1.25 5.75 -1.05 -0.76 115.11 121.01 3hfj h GLN 58 Ca 0.13 -0.41 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3hfj h GLN 58 Cb 0.46 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 3hfj h GLN 58 CO 0.02 1.07 0.55 0.52 -2.65 0.00 0.00 178.83 178.34 3hfj h MET 59 N 0.77 1.06 -0.64 1.69 2.86 -1.21 0.21 114.93 119.67 3hfj h MET 59 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hfj h MET 59 Cb 0.84 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3hfj h MET 59 CO 0.07 0.70 0.35 -0.07 1.06 0.00 0.00 176.91 179.03 3hfj h LEU 60 N 1.10 0.80 0.05 1.22 3.38 -1.09 0.34 115.31 121.10 3hfj h LEU 60 Ca 0.33 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3hfj h LEU 60 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3hfj h LEU 60 CO -0.10 0.67 -0.19 -0.08 0.09 0.00 0.00 178.44 178.83 3hfj h GLU 61 N 0.88 -0.31 -0.55 1.13 4.57 -0.66 -1.61 114.58 118.02 3hfj h GLU 61 Ca 0.23 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 3hfj h GLU 61 Cb 0.04 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3hfj h GLU 61 CO -0.04 -0.21 0.20 -0.07 -1.18 0.00 0.00 179.01 177.72 3hfj h LEU 62 N -0.33 0.73 -1.13 1.64 3.38 -0.68 -0.25 115.31 118.67 3hfj h LEU 62 Ca 0.04 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3hfj h LEU 62 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hfj h LEU 62 CO -0.14 0.67 -0.28 0.00 0.09 0.00 0.00 178.44 178.77 3hfj h ALA 63 N 1.44 1.27 -0.00 1.53 0.00 -0.00 -3.31 119.26 120.19 3hfj h ALA 63 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hfj h ALA 63 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfj h ALA 63 CO -0.01 0.49 -0.46 0.25 0.00 0.00 0.00 179.25 179.51 3hfj n THR 64 N -4.13 0.00 0.29 0.00 -2.24 -0.63 -4.69 114.28 102.87 3hfj n THR 64 Ca -0.01 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3hfj n THR 64 Cb 0.39 1.04 0.85 0.00 -2.10 0.00 0.00 70.33 70.50 3hfj n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hfj h GLU 65 N 0.33 0.00 -0.08 -0.78 4.11 -1.14 -1.50 114.58 115.53 3hfj h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hfj h GLU 65 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hfj h GLU 65 CO 0.00 0.01 0.00 0.00 0.07 0.00 0.00 179.01 179.09 3hfj n ALA 66 N -2.37 2.48 -3.13 1.06 0.00 -1.26 -4.86 120.51 112.43 3hfj n ALA 66 Ca -0.03 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.37 3hfj n ALA 66 Cb 0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 3hfj n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hfj s GLU 67 N -1.93 3.13 0.30 0.00 0.41 -0.57 -4.99 118.70 115.05 3hfj s GLU 67 Ca 0.32 -0.84 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 3hfj s GLU 67 Cb 0.20 -3.40 0.48 0.00 -1.78 0.00 0.00 34.13 29.63 3hfj s GLU 67 CO 0.31 -0.44 1.95 0.93 -0.49 0.00 0.00 175.26 177.52 3hfj h GLU 68 N 8.25 1.05 -0.67 1.61 4.39 -1.89 -3.03 114.58 124.29 3hfj h GLU 68 Ca -0.31 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3hfj h GLU 68 Cb 1.13 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3hfj h GLU 68 CO 0.61 0.69 0.00 -2.39 -1.16 0.00 0.00 179.01 176.76 3hfj n HIS 69 N -4.43 1.22 -4.50 4.33 1.44 -1.26 -4.87 115.22 107.15 3hfj n HIS 69 Ca 0.11 -0.56 -0.34 0.00 -2.01 0.00 0.00 57.72 54.91 3hfj n HIS 69 Cb 0.08 -0.13 -0.11 0.00 0.12 0.00 0.00 29.99 29.95 3hfj n HIS 69 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3hfj s PHE 70 N -1.47 3.01 0.21 -1.40 2.99 -1.15 -0.60 117.98 119.56 3hfj s PHE 70 Ca 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 56.93 57.35 3hfj s PHE 70 Cb 0.29 -1.82 -0.05 0.00 0.00 0.00 0.00 43.02 41.44 3hfj s PHE 70 CO 0.28 0.20 0.03 -1.12 -0.00 0.00 0.00 175.22 174.61 3hfj s SER 71 N -0.34 1.28 -0.15 1.36 0.01 -0.08 -4.90 113.70 110.88 3hfj s SER 71 Ca 0.05 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 56.02 3hfj s SER 71 Cb -0.12 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 3hfj s SER 71 CO 0.02 -0.62 -0.03 -0.63 0.41 0.00 0.00 173.24 172.40 3hfj s ILE 72 N -3.66 4.00 -0.23 1.44 1.01 -1.26 0.04 121.20 122.53 3hfj s ILE 72 Ca 0.29 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 3hfj s ILE 72 Cb 0.07 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3hfj s ILE 72 CO 0.08 0.50 0.07 0.00 0.00 0.00 0.00 174.94 175.59 3hfj n LEU 74 N 4.60 1.92 -0.20 0.00 4.77 -1.26 -4.12 117.00 122.71 3hfj n LEU 74 Ca -0.16 -0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 54.96 3hfj n LEU 74 Cb 0.52 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3hfj n LEU 74 CO 0.32 0.42 0.72 -0.08 -1.33 0.00 0.00 177.39 177.45 3hfj h GLU 75 N 2.42 -0.03 -0.34 3.23 4.57 -1.94 -1.24 114.58 121.26 3hfj h GLU 75 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3hfj h GLU 75 Cb 0.54 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3hfj h GLU 75 CO 0.00 -0.02 -0.29 0.93 -1.18 0.00 0.00 179.01 178.45 3hfj h GLU 76 N -0.03 0.71 0.00 1.92 5.08 -1.81 -2.88 114.58 117.57 3hfj h GLU 76 Ca 0.28 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hfj h GLU 76 Cb 0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hfj h GLU 76 CO -0.63 0.91 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.20 3hfj h LEU 77 N 0.61 0.00 0.00 1.33 3.38 -1.47 -3.31 115.31 115.85 3hfj h LEU 77 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hfj h LEU 77 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hfj h LEU 77 CO 0.07 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 3hfj n SER 78 N -3.11 0.00 -2.28 -0.43 3.41 -0.56 -4.87 113.62 105.78 3hfj n SER 78 Ca 0.01 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 3hfj n SER 78 Cb 0.31 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3hfj n SER 78 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hfj n ARG 79 N -1.32 0.53 0.00 4.33 0.63 -1.25 -5.11 116.66 114.47 3hfj n ARG 79 Ca 0.09 -1.75 0.00 0.00 -0.92 0.00 0.00 57.85 55.28 3hfj n ARG 79 Cb 0.18 1.78 0.00 0.00 0.45 0.00 0.00 32.46 34.88 3hfj n ARG 79 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hfj n LYS 80 N -0.37 0.00 0.00 -0.14 5.02 -1.26 -4.86 118.16 116.54 3hfj n LYS 80 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3hfj n LYS 80 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3hfj n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hfj n GLY 81 N 0.00 0.77 3.80 0.72 0.00 -1.26 -5.08 105.19 104.13 3hfj n GLY 81 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3hfj n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hfj s PRO 82 N 3.57 3.39 0.09 1.61 0.02 -1.26 -4.75 135.00 137.67 3hfj s PRO 82 Ca 0.00 1.30 0.09 0.00 0.02 0.00 0.00 61.00 62.41 3hfj s PRO 82 Cb 0.00 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3hfj s PRO 82 CO 0.00 -0.76 -0.21 -1.12 -0.33 0.00 0.00 177.00 174.58 3hfj s SER 83 N -2.47 3.63 0.55 2.53 0.01 -1.26 -5.07 113.70 111.63 3hfj s SER 83 Ca 0.66 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 57.14 3hfj s SER 83 Cb -0.17 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 3hfj s SER 83 CO 0.32 0.21 1.17 -0.31 0.41 0.00 0.00 173.24 175.04 3hfj s TYR 84 N -1.03 2.57 0.30 2.43 4.12 -1.26 -4.93 117.35 119.55 3hfj s TYR 84 Ca 0.15 1.53 0.01 0.00 0.02 0.00 0.00 57.07 58.78 3hfj s TYR 84 Cb -0.10 -3.38 0.54 0.00 -1.52 0.00 0.00 41.96 37.49 3hfj s TYR 84 CO 0.07 -1.85 1.90 1.15 0.02 0.00 0.00 175.55 176.84 3hfj h THR 85 N 1.15 1.04 -0.44 -0.71 2.02 -2.00 -1.79 112.91 112.19 3hfj h THR 85 Ca -0.50 -0.35 0.09 0.00 0.77 0.00 0.00 66.41 66.42 3hfj h THR 85 Cb 1.28 -0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 3hfj h THR 85 CO 0.57 0.19 -0.13 0.22 0.37 0.00 0.00 175.52 176.73 3hfj h TYR 86 N 1.02 -0.29 -0.54 3.16 5.03 -1.92 -0.04 116.97 123.38 3hfj h TYR 86 Ca 0.40 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.76 3hfj h TYR 86 Cb 0.25 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 3hfj h TYR 86 CO -0.00 -0.21 0.35 -0.44 -1.32 0.00 0.00 178.16 176.54 3hfj h ASP 87 N -0.03 0.63 -0.25 -2.11 3.45 -1.71 0.79 116.42 117.19 3hfj h ASP 87 Ca 0.21 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 3hfj h ASP 87 Cb 0.35 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3hfj h ASP 87 CO -0.46 0.47 0.07 0.74 -1.57 0.00 0.00 179.24 178.49 3hfj h THR 88 N 0.73 1.21 -0.02 0.35 2.02 -1.15 -2.59 112.91 113.46 3hfj h THR 88 Ca 0.20 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.57 3hfj h THR 88 Cb -0.06 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3hfj h THR 88 CO -0.04 0.22 -0.64 0.24 0.37 0.00 0.00 175.52 175.66 3hfj h MET 89 N 0.24 0.08 -0.20 6.66 2.86 -0.80 -1.47 114.93 122.30 3hfj h MET 89 Ca 0.08 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3hfj h MET 89 Cb 0.26 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3hfj h MET 89 CO -0.00 0.69 -0.06 1.25 1.06 0.00 0.00 176.91 179.85 3hfj h LEU 90 N 0.06 -0.22 -0.59 1.22 5.85 -0.79 -0.61 115.31 120.23 3hfj h LEU 90 Ca -0.01 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3hfj h LEU 90 Cb 1.14 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3hfj h LEU 90 CO 0.09 -0.08 0.01 1.56 -0.34 0.00 0.00 178.44 179.68 3hfj h GLN 91 N -0.02 1.03 -0.46 1.25 1.08 -1.12 -2.18 115.11 114.70 3hfj h GLN 91 Ca 0.10 -0.32 -0.13 0.00 -1.45 0.00 0.00 58.65 56.85 3hfj h GLN 91 Cb 0.17 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3hfj h GLN 91 CO -0.22 1.01 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.38 3hfj h LEU 92 N 0.93 0.98 -0.93 1.46 3.38 -1.18 -0.42 115.31 119.53 3hfj h LEU 92 Ca 0.17 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3hfj h LEU 92 Cb 0.54 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3hfj h LEU 92 CO 0.03 1.16 -0.20 0.71 0.09 0.00 0.00 178.44 180.23 3hfj h THR 93 N 0.82 1.26 -0.12 0.22 1.35 -1.07 0.17 112.91 115.54 3hfj h THR 93 Ca 0.11 -1.20 -0.13 0.00 -0.55 0.00 0.00 66.41 64.64 3hfj h THR 93 Cb 0.80 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3hfj h THR 93 CO 0.07 0.39 -0.50 0.11 -0.25 0.00 0.00 175.52 175.34 3hfj h LYS 94 N 0.50 0.31 0.00 4.72 1.57 -1.25 -2.96 116.57 119.45 3hfj h LYS 94 Ca 0.08 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 3hfj h LYS 94 Cb 0.62 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 3hfj h LYS 94 CO 0.04 0.74 -0.94 -0.22 -0.57 0.00 0.00 179.45 178.51 3hfj h LYS 95 N 0.24 0.00 -2.06 3.15 3.64 -0.75 -3.38 116.57 117.42 3hfj h LYS 95 Ca 0.01 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 3hfj h LYS 95 Cb 0.97 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.39 3hfj h LYS 95 CO 0.08 0.79 -0.99 0.66 -2.27 0.00 0.00 179.45 177.72 3hfj n TYR 96 N -3.27 0.79 0.15 1.91 4.02 0.55 -4.96 117.16 116.35 3hfj n TYR 96 Ca -0.01 -3.75 0.03 0.00 -0.01 0.00 0.00 57.90 54.16 3hfj n TYR 96 Cb 0.89 -0.41 0.16 0.00 -0.02 0.00 0.00 39.34 39.95 3hfj n TYR 96 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hfj n PRO 97 N 1.05 0.02 -0.18 -0.72 -0.04 -1.12 -1.11 135.00 132.90 3hfj n PRO 97 Ca 0.24 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 3hfj n PRO 97 Cb 0.52 -1.57 0.25 0.00 -0.04 0.00 0.00 33.50 32.66 3hfj n PRO 97 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hfj n ASP 98 N -1.61 3.03 -4.54 3.54 2.03 -1.26 -4.79 116.55 112.95 3hfj n ASP 98 Ca 0.01 -1.93 -0.34 0.00 0.52 0.00 0.00 54.79 53.04 3hfj n ASP 98 Cb 0.05 -0.23 -0.11 0.00 -0.72 0.00 0.00 41.12 40.11 3hfj n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hfj s VAL 99 N -1.54 4.02 -0.46 5.18 1.01 -0.27 0.21 120.40 128.56 3hfj s VAL 99 Ca 0.37 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3hfj s VAL 99 Cb 0.21 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.87 3hfj s VAL 99 CO 0.30 0.51 0.65 -1.58 0.00 0.00 0.00 175.10 174.98 3hfj s GLN 100 N 0.16 3.24 0.06 2.72 0.74 0.15 -4.85 119.66 121.88 3hfj s GLN 100 Ca -0.01 -0.48 -0.26 0.00 0.05 0.00 0.00 55.36 54.66 3hfj s GLN 100 Cb -0.13 -3.99 -0.06 0.00 1.10 0.00 0.00 33.01 29.93 3hfj s GLN 100 CO 0.02 -1.08 0.80 -0.06 -0.55 0.00 0.00 175.29 174.42 3hfj s PHE 101 N 2.83 3.75 -0.32 1.67 0.40 -1.26 -1.90 117.98 123.16 3hfj s PHE 101 Ca 0.21 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 3hfj s PHE 101 Cb -0.15 -2.86 0.07 0.00 0.51 0.00 0.00 43.02 40.59 3hfj s PHE 101 CO 0.17 0.26 0.02 -1.01 0.70 0.00 0.00 175.22 175.37 3hfj s HIS 102 N -0.06 3.41 -0.40 0.36 3.76 0.17 -1.29 115.29 121.24 3hfj s HIS 102 Ca 0.40 -2.28 -0.18 0.00 -0.15 0.00 0.00 55.06 52.85 3hfj s HIS 102 Cb -0.21 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.08 3hfj s HIS 102 CO 0.24 -0.88 0.47 0.12 -0.85 0.00 0.00 174.74 173.85 3hfj s PHE 103 N 1.13 3.16 -0.12 1.40 5.36 0.12 -0.09 117.98 128.95 3hfj s PHE 103 Ca -0.01 -0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 55.59 3hfj s PHE 103 Cb -0.20 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.51 3hfj s PHE 103 CO -0.04 -0.65 0.65 0.42 -1.46 0.00 0.00 175.22 174.15 3hfj s ILE 104 N 2.28 5.05 0.07 3.12 1.01 -0.31 -0.34 121.20 132.08 3hfj s ILE 104 Ca 0.15 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.14 3hfj s ILE 104 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3hfj s ILE 104 CO 0.14 0.21 -0.10 0.27 0.00 0.00 0.00 174.94 175.46 3hfj s ILE 105 N 1.17 0.80 0.49 2.92 -4.36 0.31 -4.61 121.20 117.91 3hfj s ILE 105 Ca 0.33 -1.38 -0.23 0.00 -0.26 0.00 0.00 60.65 59.11 3hfj s ILE 105 Cb -0.17 -1.04 -0.07 0.00 1.25 0.00 0.00 42.46 42.44 3hfj s ILE 105 CO 0.14 -0.45 1.27 -0.83 0.24 0.00 0.00 174.94 175.31 3hfj s GLY 106 N -2.02 2.85 0.29 6.27 0.00 -1.26 -1.29 107.32 112.15 3hfj s GLY 106 Ca -0.01 1.16 0.04 0.00 0.00 0.00 0.00 44.72 45.90 3hfj s GLY 106 CO 0.00 1.67 1.72 -1.33 0.00 0.00 0.00 173.10 175.16 3hfj h GLY 107 N 1.92 1.58 2.00 0.20 0.00 -0.97 -1.09 103.07 106.70 3hfj h GLY 107 Ca -0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3hfj h GLY 107 CO 0.59 -0.20 -0.01 -0.55 0.00 0.00 0.00 176.54 176.37 3hfj h ASP 108 N 0.50 0.00 1.18 0.19 5.19 -1.92 -2.34 116.42 119.22 3hfj h ASP 108 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 3hfj h ASP 108 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3hfj h ASP 108 CO -0.47 0.01 -0.55 0.24 -3.12 0.00 0.00 179.24 175.35 3hfj h MET 109 N 0.00 0.00 -0.54 3.56 2.86 -1.56 -3.38 114.93 115.86 3hfj h MET 109 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3hfj h MET 109 Cb 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3hfj h MET 109 CO 0.00 0.00 0.27 0.28 1.06 0.00 0.00 176.91 178.52 3hfj h VAL 110 N 0.00 0.94 0.00 -2.22 2.07 -1.44 -2.05 116.25 113.55 3hfj h VAL 110 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hfj h VAL 110 Cb 0.86 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hfj h VAL 110 CO 0.00 0.10 -0.02 1.05 0.02 0.00 0.00 177.57 178.71 3hfj h GLU 111 N 0.52 0.00 -0.02 1.57 4.11 -1.77 -2.16 114.58 116.83 3hfj h GLU 111 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 3hfj h GLU 111 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hfj h GLU 111 CO -0.17 0.02 -0.03 0.66 0.07 0.00 0.00 179.01 179.56 3hfj n TYR 112 N -3.34 0.00 -0.35 2.06 4.02 -0.78 -4.48 117.16 114.29 3hfj n TYR 112 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.03 3hfj n TYR 112 Cb 0.14 -0.01 0.37 0.00 -0.02 0.00 0.00 39.34 39.82 3hfj n TYR 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hfj h LEU 113 N 3.36 0.69 -1.53 7.72 3.38 -1.29 -0.93 115.31 126.71 3hfj h LEU 113 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hfj h LEU 113 Cb 0.73 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3hfj h LEU 113 CO 0.00 0.14 0.00 -0.65 0.09 0.00 0.00 178.44 178.02 3hfj h PRO 114 N 0.62 0.00 -0.01 1.13 0.11 -1.83 -1.08 132.00 130.95 3hfj h PRO 114 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3hfj h PRO 114 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hfj h PRO 114 CO -0.46 0.00 -0.41 1.63 -0.21 0.00 0.00 178.00 178.56 3hfj n LYS 115 N -2.36 0.64 -2.22 1.05 5.02 -0.35 -4.90 118.16 115.02 3hfj n LYS 115 Ca -0.01 -0.42 -0.40 0.00 -2.02 0.00 0.00 58.31 55.46 3hfj n LYS 115 Cb 0.06 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 3hfj n LYS 115 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hfj s TRP 116 N -2.65 3.14 0.03 2.13 0.52 -0.41 -4.90 118.94 116.79 3hfj s TRP 116 Ca 0.19 1.51 -0.32 0.00 0.02 0.00 0.00 56.10 57.50 3hfj s TRP 116 Cb 0.18 -3.53 -0.11 0.00 -1.15 0.00 0.00 33.47 28.87 3hfj s TRP 116 CO 0.60 -1.49 1.89 0.98 0.02 0.00 0.00 176.95 178.95 3hfj n TYR 117 N 0.65 2.47 -3.41 -1.98 9.36 -1.26 -2.46 117.16 120.53 3hfj n TYR 117 Ca 0.01 -0.18 -0.20 0.00 3.32 0.00 0.00 57.90 60.85 3hfj n TYR 117 Cb 0.44 -2.73 0.07 0.00 -0.63 0.00 0.00 39.34 36.48 3hfj n TYR 117 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3hfj n ASN 118 N 6.57 -5.67 -0.20 2.98 5.15 -1.26 -4.58 115.26 118.25 3hfj n ASN 118 Ca 0.20 -0.45 -0.02 0.00 -0.60 0.00 0.00 54.58 53.72 3hfj n ASN 118 Cb 0.36 -4.28 0.09 0.00 -0.53 0.00 0.00 39.78 35.41 3hfj n ASN 118 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3hfj h ILE 119 N -2.26 0.87 -0.53 -1.44 6.09 -1.81 -1.75 117.51 116.68 3hfj h ILE 119 Ca -0.47 -0.17 0.07 0.00 -1.37 0.00 0.00 64.86 62.91 3hfj h ILE 119 Cb 1.31 0.33 -0.06 0.00 0.47 0.00 0.00 36.82 38.87 3hfj h ILE 119 CO 0.47 0.09 0.22 -0.33 -3.07 0.00 0.00 178.15 175.53 3hfj h GLU 120 N 0.50 0.42 -0.09 2.19 4.39 -1.91 0.12 114.58 120.20 3hfj h GLU 120 Ca 0.28 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 3hfj h GLU 120 Cb 0.26 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3hfj h GLU 120 CO -0.23 0.28 -0.41 0.00 -1.16 0.00 0.00 179.01 177.49 3hfj h ALA 121 N 1.33 1.15 -0.38 3.43 0.00 -1.84 -2.95 119.26 120.01 3hfj h ALA 121 Ca 0.25 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3hfj h ALA 121 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hfj h ALA 121 CO -0.22 0.58 -0.31 1.25 0.00 0.00 0.00 179.25 180.54 3hfj h LEU 122 N 0.16 0.86 -2.11 0.00 5.85 -0.60 -2.85 115.31 116.63 3hfj h LEU 122 Ca 0.01 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.46 3hfj h LEU 122 Cb 0.80 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3hfj h LEU 122 CO 0.06 1.10 0.28 -0.07 -0.34 0.00 0.00 178.44 179.47 3hfj h LEU 123 N 0.70 0.00 0.00 2.25 3.38 -0.61 0.18 115.31 121.21 3hfj h LEU 123 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hfj h LEU 123 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hfj h LEU 123 CO 0.08 0.00 -0.06 0.47 0.09 0.00 0.00 178.44 179.01 3hfj n ASP 124 N -3.93 0.14 -0.08 -0.43 8.00 -1.08 -4.08 116.55 115.09 3hfj n ASP 124 Ca 0.04 0.42 -0.07 0.00 0.71 0.00 0.00 54.79 55.90 3hfj n ASP 124 Cb 0.43 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 3hfj n ASP 124 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hfj n LEU 125 N -1.58 0.00 -4.22 0.64 4.77 0.54 -5.03 117.00 112.12 3hfj n LEU 125 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 3hfj n LEU 125 Cb 0.35 0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 3hfj n LEU 125 CO 0.28 0.38 -0.37 0.68 -1.33 0.00 0.00 177.39 177.04 3hfj s VAL 126 N -2.48 0.77 -0.21 4.08 -7.23 -0.67 -4.52 120.40 110.14 3hfj s VAL 126 Ca -0.08 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 3hfj s VAL 126 Cb 0.06 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 3hfj s VAL 126 CO 0.70 -0.68 0.10 -0.89 -0.31 0.00 0.00 175.10 174.01 3hfj s THR 127 N -3.59 4.90 0.16 5.32 2.01 -0.41 -4.65 115.64 119.38 3hfj s THR 127 Ca 0.18 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.91 3hfj s THR 127 Cb 0.05 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.24 3hfj s THR 127 CO -0.00 0.40 0.89 -0.36 -0.69 0.00 0.00 174.62 174.85 3hfj s PHE 128 N 0.83 3.89 -0.29 4.92 0.40 -1.26 0.12 117.98 126.59 3hfj s PHE 128 Ca 0.05 1.76 0.00 0.00 -0.60 0.00 0.00 56.93 58.14 3hfj s PHE 128 Cb -0.13 -2.93 0.06 0.00 0.51 0.00 0.00 43.02 40.52 3hfj s PHE 128 CO 0.02 0.38 -0.03 0.08 0.70 0.00 0.00 175.22 176.37 3hfj s VAL 129 N -0.69 2.69 -0.08 -0.44 1.01 0.54 -0.97 120.40 122.46 3hfj s VAL 129 Ca 0.41 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 3hfj s VAL 129 Cb -0.24 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3hfj s VAL 129 CO 0.29 -0.11 0.65 -0.83 0.00 0.00 0.00 175.10 175.10 3hfj s GLY 130 N 1.21 2.56 -0.13 4.51 0.00 0.86 -0.53 107.32 115.79 3hfj s GLY 130 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 3hfj s GLY 130 CO -0.03 1.09 0.12 -1.34 0.00 0.00 0.00 173.10 172.95 3hfj s VAL 131 N 0.78 5.35 -0.02 1.40 -7.23 -0.42 -0.87 120.40 119.40 3hfj s VAL 131 Ca 0.35 0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.61 3hfj s VAL 131 Cb -0.17 -3.35 0.01 0.00 0.56 0.00 0.00 36.38 33.43 3hfj s VAL 131 CO 0.16 0.59 0.15 0.00 -0.31 0.00 0.00 175.10 175.68 3hfj s ALA 132 N -0.75 -0.35 0.76 1.32 0.00 -0.44 -0.27 121.76 122.02 3hfj s ALA 132 Ca 0.13 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 3hfj s ALA 132 Cb -0.12 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.03 3hfj s ALA 132 CO 0.03 -0.16 1.19 1.03 0.00 0.00 0.00 175.76 177.85 3hfj s ARG 133 N -0.86 2.00 0.24 0.00 0.52 -1.26 -1.26 118.95 118.33 3hfj s ARG 133 Ca -0.09 1.71 -0.31 0.00 -0.52 0.00 0.00 55.73 56.52 3hfj s ARG 133 Cb -0.05 -1.82 -0.14 0.00 0.52 0.00 0.00 34.95 33.46 3hfj s ARG 133 CO 0.01 -1.93 1.34 -2.30 0.02 0.00 0.00 175.30 172.44 3hfj n PRO 134 N -2.95 1.90 -0.10 3.54 -0.02 -1.26 -2.03 135.00 134.08 3hfj n PRO 134 Ca 0.13 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3hfj n PRO 134 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3hfj n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfj n GLY 135 N 1.93 0.90 3.53 -1.23 0.00 -1.26 -5.05 105.19 104.01 3hfj n GLY 135 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3hfj n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hfj s TYR 136 N -2.43 3.06 -0.15 1.61 1.51 -0.86 -5.10 117.35 114.99 3hfj s TYR 136 Ca 0.00 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3hfj s TYR 136 Cb 0.00 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.89 3hfj s TYR 136 CO 0.00 0.02 -0.16 0.21 -1.11 0.00 0.00 175.55 174.51 3hfj s LYS 137 N 0.27 3.19 0.24 -0.62 2.20 -1.26 -4.78 119.74 118.99 3hfj s LYS 137 Ca -0.02 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.64 3hfj s LYS 137 Cb -0.14 -2.60 -0.08 0.00 -1.51 0.00 0.00 37.83 33.50 3hfj s LYS 137 CO 0.03 0.02 0.73 -0.51 -0.36 0.00 0.00 175.35 175.26 3hfj s LEU 138 N 0.80 4.29 -0.06 5.43 1.43 -1.26 -5.08 118.68 124.23 3hfj s LEU 138 Ca -0.06 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 3hfj s LEU 138 Cb -0.15 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3hfj s LEU 138 CO -0.00 -0.01 -0.05 -0.60 0.23 0.00 0.00 176.35 175.91 3hfj s ARG 139 N -2.16 0.97 -0.21 1.70 3.52 -1.26 -5.13 118.95 116.39 3hfj s ARG 139 Ca 0.45 -0.12 -0.27 0.00 -0.13 0.00 0.00 55.73 55.66 3hfj s ARG 139 Cb -0.16 -1.01 0.10 0.00 -1.56 0.00 0.00 34.95 32.33 3hfj s ARG 139 CO 0.20 -0.12 0.88 -0.08 -0.81 0.00 0.00 175.30 175.37 3hfj s THR 140 N 1.14 0.00 -0.09 4.11 -1.32 -1.26 -4.61 115.64 113.61 3hfj s THR 140 Ca -0.07 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.70 3hfj s THR 140 Cb -0.14 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.16 3hfj s THR 140 CO -0.01 0.00 1.87 1.55 -2.21 0.00 0.00 174.62 175.82 3hfj h PRO 141 N 3.77 0.00 -6.53 7.08 0.13 -2.00 -3.46 132.00 131.00 3hfj h PRO 141 Ca -0.26 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 3hfj h PRO 141 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3hfj h PRO 141 CO 0.20 0.00 0.02 0.71 -0.23 0.00 0.00 178.00 178.69 3hfj s TYR 142 N -3.59 3.52 -1.22 1.56 4.12 -1.26 -5.00 117.35 115.48 3hfj s TYR 142 Ca 0.01 1.16 -0.20 0.00 0.02 0.00 0.00 57.07 58.06 3hfj s TYR 142 Cb 0.09 -2.47 0.03 0.00 -1.52 0.00 0.00 41.96 38.09 3hfj s TYR 142 CO 0.39 0.28 1.76 -1.25 0.02 0.00 0.00 175.55 176.74 3hfj s PRO 143 N -2.42 3.54 0.17 -1.71 0.04 -1.26 -4.97 135.00 128.40 3hfj s PRO 143 Ca 0.46 -1.63 0.04 0.00 0.04 0.00 0.00 61.00 59.91 3hfj s PRO 143 Cb -0.13 -5.43 -0.03 0.00 0.04 0.00 0.00 34.50 28.94 3hfj s PRO 143 CO 0.19 -2.70 0.28 0.96 0.04 0.00 0.00 177.00 175.78 3hfj s ILE 144 N 6.13 5.16 -0.02 0.56 -4.36 -1.26 -4.62 121.20 122.78 3hfj s ILE 144 Ca 0.57 -0.84 -0.14 0.00 -0.26 0.00 0.00 60.65 59.99 3hfj s ILE 144 Cb 0.02 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.98 3hfj s ILE 144 CO 0.07 -0.16 0.37 -0.89 0.24 0.00 0.00 174.94 174.57 3hfj s THR 145 N -1.81 5.10 -0.13 8.37 2.01 -0.14 -4.96 115.64 124.08 3hfj s THR 145 Ca 0.34 0.75 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 3hfj s THR 145 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3hfj s THR 145 CO 0.28 0.58 0.05 -0.89 -0.69 0.00 0.00 174.62 173.95 3hfj s THR 146 N -1.02 4.73 -0.10 -0.82 2.01 -1.26 -0.10 115.64 119.08 3hfj s THR 146 Ca 0.22 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3hfj s THR 146 Cb -0.16 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.30 3hfj s THR 146 CO 0.12 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.76 3hfj s VAL 147 N -0.40 1.47 -0.07 3.82 1.01 -0.05 -4.94 120.40 121.24 3hfj s VAL 147 Ca 0.09 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 3hfj s VAL 147 Cb -0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3hfj s VAL 147 CO 0.02 0.43 0.94 -0.70 0.00 0.00 0.00 175.10 175.79 3hfj s GLU 148 N 0.84 4.45 -0.03 2.72 2.12 -1.26 -1.33 118.70 126.22 3hfj s GLU 148 Ca -0.10 1.29 0.05 0.00 0.36 0.00 0.00 54.97 56.57 3hfj s GLU 148 Cb -0.15 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 3hfj s GLU 148 CO 0.01 -0.18 -0.16 0.42 -0.54 0.00 0.00 175.26 174.80 3hfj s ILE 149 N 1.55 1.34 0.92 -3.70 1.01 -0.39 -4.93 121.20 116.99 3hfj s ILE 149 Ca 0.47 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 3hfj s ILE 149 Cb -0.19 -1.13 0.15 0.00 0.01 0.00 0.00 42.46 41.30 3hfj s ILE 149 CO 0.21 0.38 1.15 -2.16 0.00 0.00 0.00 174.94 174.52 3hfj s PRO 150 N -0.18 0.96 -0.22 2.79 0.04 -1.26 -4.25 135.00 132.88 3hfj s PRO 150 Ca 0.02 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3hfj s PRO 150 Cb -0.09 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 3hfj s PRO 150 CO 0.01 -2.68 0.46 -2.00 0.04 0.00 0.00 177.00 172.83 3hfj s GLU 151 N -4.64 4.14 -0.28 4.56 2.56 -1.26 -5.01 118.70 118.76 3hfj s GLU 151 Ca 0.67 0.28 -0.02 0.00 0.00 0.00 0.00 54.97 55.90 3hfj s GLU 151 Cb -0.23 -3.58 0.12 0.00 2.00 0.00 0.00 34.13 32.44 3hfj s GLU 151 CO 0.58 -0.17 0.24 0.12 -0.56 0.00 0.00 175.26 175.47 3hfj s PHE 152 N 1.72 -0.21 -0.11 5.30 5.36 -1.26 -5.06 117.98 123.71 3hfj s PHE 152 Ca 0.21 -0.37 -0.05 0.00 -0.96 0.00 0.00 56.93 55.76 3hfj s PHE 152 Cb -0.15 -0.59 -0.20 0.00 -0.34 0.00 0.00 43.02 41.74 3hfj s PHE 152 CO 0.09 -0.87 2.89 0.00 -1.46 0.00 0.00 175.22 175.87 3hfj n ALA 153 N 5.29 5.26 -2.79 11.12 0.00 -1.26 -4.83 120.51 133.30 3hfj n ALA 153 Ca -0.03 -1.54 -0.35 0.00 0.00 0.00 0.00 53.44 51.51 3hfj n ALA 153 Cb 0.45 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 3hfj n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hfj s VAL 154 N 1.57 5.18 0.09 0.00 0.11 -1.26 -5.07 120.40 121.02 3hfj s VAL 154 Ca 0.52 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.69 3hfj s VAL 154 Cb 0.24 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 3hfj s VAL 154 CO -0.00 0.52 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.28 3hfj s SER 155 N -0.17 1.04 0.22 3.54 1.04 -1.26 -4.72 113.70 113.38 3hfj s SER 155 Ca 0.09 -0.94 -0.09 0.00 0.48 0.00 0.00 55.95 55.49 3hfj s SER 155 Cb -0.12 0.09 0.18 0.00 0.10 0.00 0.00 66.02 66.28 3hfj s SER 155 CO 0.01 -0.44 1.88 0.28 0.98 0.00 0.00 173.24 175.95 3hfj h SER 156 N 3.22 0.89 -0.44 7.02 0.02 -1.89 -2.44 113.55 119.93 3hfj h SER 156 Ca -0.35 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3hfj h SER 156 Cb 1.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3hfj h SER 156 CO 0.61 0.64 0.13 0.77 -1.14 0.00 0.00 176.83 177.84 3hfj h SER 157 N 1.05 0.70 0.20 3.07 4.64 -1.95 0.02 113.55 121.29 3hfj h SER 157 Ca 0.29 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3hfj h SER 157 Cb -0.10 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 3hfj h SER 157 CO -0.07 0.69 -0.21 0.25 -0.87 0.00 0.00 176.83 176.62 3hfj h LEU 158 N 0.73 -0.56 -0.53 5.97 6.46 -1.90 -2.71 115.31 122.77 3hfj h LEU 158 Ca 0.16 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3hfj h LEU 158 Cb 0.27 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3hfj h LEU 158 CO -0.00 -0.31 0.19 -0.07 -0.62 0.00 0.00 178.44 177.63 3hfj h LEU 159 N -0.45 0.76 -0.76 2.25 3.38 -0.96 -2.14 115.31 117.38 3hfj h LEU 159 Ca 0.00 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.90 3hfj h LEU 159 Cb 0.42 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 3hfj h LEU 159 CO -0.05 0.74 0.37 0.03 0.09 0.00 0.00 178.44 179.62 3hfj h ARG 160 N 0.73 0.58 -0.36 1.13 3.08 -1.02 -1.09 114.38 117.42 3hfj h ARG 160 Ca 0.18 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3hfj h ARG 160 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3hfj h ARG 160 CO -0.01 0.38 -0.14 1.49 -1.07 0.00 0.00 179.97 180.62 3hfj h GLU 161 N 0.59 0.74 -0.44 0.04 4.57 -1.14 -1.58 114.58 117.37 3hfj h GLU 161 Ca 0.39 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 3hfj h GLU 161 Cb 0.48 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3hfj h GLU 161 CO -0.31 0.91 0.18 0.00 -1.18 0.00 0.00 179.01 178.61 3hfj h ARG 162 N 0.53 0.36 -0.64 1.92 3.08 -0.96 -1.71 114.38 116.95 3hfj h ARG 162 Ca 0.09 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3hfj h ARG 162 Cb 0.67 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3hfj h ARG 162 CO 0.05 0.24 0.18 1.88 -1.07 0.00 0.00 179.97 181.24 3hfj h TYR 163 N 0.37 1.03 -0.89 3.04 -1.99 -1.08 0.18 116.97 117.63 3hfj h TYR 163 Ca 0.20 -0.10 0.10 0.00 2.00 0.00 0.00 58.73 60.93 3hfj h TYR 163 Cb 0.16 -0.30 -0.08 0.00 2.00 0.00 0.00 36.73 38.51 3hfj h TYR 163 CO -0.13 0.83 0.53 -0.22 -0.00 0.00 0.00 178.16 179.17 3hfj h LYS 164 N 0.95 0.84 -0.44 4.88 3.64 -0.02 -1.42 116.57 125.00 3hfj h LYS 164 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hfj h LYS 164 Cb 0.30 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hfj h LYS 164 CO -0.00 0.56 0.00 0.39 -2.27 0.00 0.00 179.45 178.12 3hfj n GLU 165 N -4.70 1.94 -3.74 1.90 1.02 -0.67 -4.79 120.64 111.60 3hfj n GLU 165 Ca 0.15 -1.14 -0.28 0.00 -0.02 0.00 0.00 57.16 55.87 3hfj n GLU 165 Cb 0.30 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 3hfj n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hfj n LYS 166 N 0.35 -5.32 -3.64 3.49 5.02 -0.53 -4.99 118.16 112.53 3hfj n LYS 166 Ca 0.10 0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 56.75 3hfj n LYS 166 Cb 0.36 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 29.84 3hfj n LYS 166 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hfj s LYS 167 N -6.44 3.53 0.48 1.97 1.02 0.59 -5.01 119.74 115.89 3hfj s LYS 167 Ca 0.60 -0.31 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 3hfj s LYS 167 Cb -0.30 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.13 3hfj s LYS 167 CO 0.73 0.36 0.94 -0.08 -0.92 0.00 0.00 175.35 176.38 3hfj s THR 168 N -1.93 4.56 -0.23 2.17 -1.32 -1.26 -4.15 115.64 113.48 3hfj s THR 168 Ca 0.39 1.14 0.11 0.00 -1.21 0.00 0.00 61.69 62.12 3hfj s THR 168 Cb -0.11 -3.71 0.43 0.00 -1.51 0.00 0.00 72.50 67.61 3hfj s THR 168 CO 0.30 -0.61 1.21 0.00 -2.21 0.00 0.00 174.62 173.30 3hfj n LYS 170 N -0.92 1.75 -0.95 0.00 4.81 -1.26 -2.02 118.16 119.56 3hfj n LYS 170 Ca 0.26 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3hfj n LYS 170 Cb 0.80 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3hfj n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hfj n TYR 171 N 0.51 0.00 0.13 5.64 4.01 -1.26 -4.86 117.16 121.33 3hfj n TYR 171 Ca 0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.87 3hfj n TYR 171 Cb 0.33 -0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 3hfj n TYR 171 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hfj n LEU 172 N 0.00 0.13 -3.56 7.72 4.77 -0.86 -5.00 117.00 120.21 3hfj n LEU 172 Ca 0.00 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 3hfj n LEU 172 Cb 0.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3hfj n LEU 172 CO 0.00 0.03 0.44 -1.48 -1.33 0.00 0.00 177.39 175.05 3hfj s LEU 173 N -3.34 -0.46 0.30 2.23 2.34 -1.25 -1.73 118.68 116.77 3hfj s LEU 173 Ca -0.02 -0.19 -0.29 0.00 0.06 0.00 0.00 54.13 53.69 3hfj s LEU 173 Cb 0.07 2.61 -0.13 0.00 -0.56 0.00 0.00 46.19 48.18 3hfj s LEU 173 CO 0.41 -1.07 1.31 -2.65 -1.06 0.00 0.00 176.35 173.30 3hfj n PRO 174 N -0.40 2.05 -0.29 1.48 -0.02 -1.26 -4.85 135.00 131.71 3hfj n PRO 174 Ca -0.13 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3hfj n PRO 174 Cb 0.63 -2.32 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 3hfj n PRO 174 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hfj h GLU 175 N 3.07 0.35 -0.36 -0.52 4.81 -1.97 -1.54 114.58 118.41 3hfj h GLU 175 Ca -0.45 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 3hfj h GLU 175 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3hfj h GLU 175 CO 0.67 0.23 -0.04 0.87 -0.73 0.00 0.00 179.01 180.01 3hfj h LYS 176 N 0.36 0.59 -0.30 1.92 1.57 -1.90 -1.89 116.57 116.93 3hfj h LYS 176 Ca 0.51 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 3hfj h LYS 176 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3hfj h LYS 176 CO -0.53 0.64 0.12 0.28 -0.57 0.00 0.00 179.45 179.39 3hfj h VAL 177 N 0.56 1.18 -0.50 0.50 2.07 -1.58 -2.30 116.25 116.17 3hfj h VAL 177 Ca 0.11 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3hfj h VAL 177 Cb 0.41 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3hfj h VAL 177 CO 0.02 0.19 0.15 1.56 0.02 0.00 0.00 177.57 179.50 3hfj h GLN 178 N 0.33 0.29 -0.55 1.57 4.20 -1.12 -0.22 115.11 119.61 3hfj h GLN 178 Ca 0.10 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3hfj h GLN 178 Cb 0.18 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3hfj h GLN 178 CO -0.01 0.19 0.35 0.28 -0.67 0.00 0.00 178.83 178.98 3hfj h VAL 179 N 0.30 1.10 -0.46 -0.54 2.07 -1.29 -1.09 116.25 116.35 3hfj h VAL 179 Ca 0.25 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hfj h VAL 179 Cb 0.30 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hfj h VAL 179 CO -0.28 0.13 0.28 0.22 0.02 0.00 0.00 177.57 177.93 3hfj h TYR 180 N 0.71 0.60 -0.39 1.57 3.20 -0.82 0.13 116.97 121.97 3hfj h TYR 180 Ca 0.21 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3hfj h TYR 180 Cb -0.03 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3hfj h TYR 180 CO -0.05 0.42 0.24 0.82 -1.64 0.00 0.00 178.16 177.95 3hfj h ILE 181 N 0.61 1.12 -0.46 1.81 2.04 -0.70 -1.48 117.51 120.44 3hfj h ILE 181 Ca 0.16 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3hfj h ILE 181 Cb -0.01 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3hfj h ILE 181 CO -0.03 0.12 0.11 -0.33 0.00 0.00 0.00 178.15 178.02 3hfj h GLU 182 N 0.52 0.74 -0.15 2.37 4.39 -0.99 -1.56 114.58 119.90 3hfj h GLU 182 Ca 0.14 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 3hfj h GLU 182 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3hfj h GLU 182 CO -0.03 0.73 -0.45 0.00 -1.16 0.00 0.00 179.01 178.10 3hfj h ARG 183 N 0.62 0.37 -0.31 2.33 3.08 -0.78 -3.03 114.38 116.65 3hfj h ARG 183 Ca 0.14 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3hfj h ARG 183 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3hfj h ARG 183 CO 0.00 0.75 0.00 0.09 -1.07 0.00 0.00 179.97 179.74 3hfj n ASN 184 N -3.99 2.44 -3.19 7.04 4.13 -0.58 -4.94 115.26 116.17 3hfj n ASN 184 Ca -0.02 -1.87 -0.23 0.00 1.68 0.00 0.00 54.58 54.14 3hfj n ASN 184 Cb 0.52 -0.20 0.02 0.00 -1.54 0.00 0.00 39.78 38.58 3hfj n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hfj n GLY 185 N 1.28 -0.51 3.78 7.41 0.00 -0.95 -4.96 105.19 111.24 3hfj n GLY 185 Ca 0.17 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 3hfj n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfj s LEU 186 N -6.63 3.94 -1.55 0.99 1.43 -0.63 -4.09 118.68 112.15 3hfj s LEU 186 Ca 0.36 2.10 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3hfj s LEU 186 Cb -0.17 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3hfj s LEU 186 CO 0.44 -0.82 0.59 -1.22 0.23 0.00 0.00 176.35 175.56 3hfj n TYR 187 N -0.68 -1.92 -2.64 0.29 4.01 -1.26 -4.82 117.16 110.13 3hfj n TYR 187 Ca 0.08 0.50 -0.24 0.00 -0.16 0.00 0.00 57.90 58.08 3hfj n TYR 187 Cb 0.50 -4.46 -0.01 0.00 -0.31 0.00 0.00 39.34 35.06 3hfj n TYR 187 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3hfj n GLU 188 N -3.97 2.97 -0.75 -0.72 0.28 -1.26 -0.99 120.64 116.21 3hfj n GLU 188 Ca -0.12 -4.37 0.00 0.00 -0.16 0.00 0.00 57.16 52.51 3hfj n GLU 188 Cb 0.62 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.40 3hfj n GLU 188 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40