#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 4.18 -0.36 0.03 0.52 -0.07 -4.66 118.95 118.58 3hfj s ARG 2 Ca 0.00 2.46 -0.20 0.00 -0.52 0.00 0.00 55.73 57.47 3hfj s ARG 2 Cb 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.36 3hfj s ARG 2 CO 0.00 -0.65 0.59 0.15 0.02 0.00 0.00 175.30 175.41 3hfj s LYS 3 N 0.95 3.62 -0.10 3.54 1.02 -1.26 -0.12 119.74 127.39 3hfj s LYS 3 Ca 0.71 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.65 3hfj s LYS 3 Cb -0.46 -3.82 0.01 0.00 -0.52 0.00 0.00 37.83 33.04 3hfj s LYS 3 CO 0.33 -0.72 -0.17 0.42 -0.92 0.00 0.00 175.35 174.28 3hfj s ILE 4 N 2.59 1.62 0.35 2.17 -1.09 -0.80 -0.61 121.20 125.44 3hfj s ILE 4 Ca 0.22 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 3hfj s ILE 4 Cb -0.15 -1.45 -0.10 0.00 -1.58 0.00 0.00 42.46 39.18 3hfj s ILE 4 CO 0.15 0.46 0.80 -0.83 -1.23 0.00 0.00 174.94 174.29 3hfj s GLY 5 N 0.75 2.36 -0.14 6.18 0.00 -0.21 -0.21 107.32 116.05 3hfj s GLY 5 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.77 3hfj s GLY 5 CO 0.02 0.38 -0.15 -0.42 0.00 0.00 0.00 173.10 172.93 3hfj s ILE 6 N -2.03 1.59 -0.26 0.90 -1.09 0.59 -0.38 121.20 120.53 3hfj s ILE 6 Ca 0.56 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3hfj s ILE 6 Cb -0.10 -1.48 0.05 0.00 -1.58 0.00 0.00 42.46 39.36 3hfj s ILE 6 CO 0.16 0.46 -0.10 -0.51 -1.23 0.00 0.00 174.94 173.72 3hfj s ILE 7 N 1.31 2.34 0.36 2.92 2.07 -0.55 -0.86 121.20 128.79 3hfj s ILE 7 Ca 0.01 -1.47 0.07 0.00 -1.41 0.00 0.00 60.65 57.86 3hfj s ILE 7 Cb -0.13 -2.31 -0.02 0.00 0.13 0.00 0.00 42.46 40.12 3hfj s ILE 7 CO -0.08 0.05 0.33 -0.83 -1.91 0.00 0.00 174.94 172.50 3hfj s GLY 8 N 1.16 1.88 0.00 1.50 0.00 -1.26 -0.05 107.32 110.55 3hfj s GLY 8 Ca -0.06 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3hfj s GLY 8 CO -0.05 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.05 3hfj n GLY 9 N -1.44 0.94 0.14 0.20 0.00 -1.14 -4.92 105.19 98.97 3hfj n GLY 9 Ca -0.00 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.53 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 3.67 0.16 -6.14 2.61 1.35 -1.88 -0.04 112.91 112.64 3hfj h THR 10 Ca 0.00 -1.27 -0.32 0.00 -0.55 0.00 0.00 66.41 64.27 3hfj h THR 10 Cb 0.00 1.81 0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3hfj h THR 10 CO 0.00 0.09 -0.71 0.49 -0.25 0.00 0.00 175.52 175.14 3hfj n PHE 11 N -2.88 -2.28 -3.16 4.73 3.01 -1.26 -4.71 117.46 110.92 3hfj n PHE 11 Ca -0.00 0.78 -0.21 0.00 1.01 0.00 0.00 57.45 59.03 3hfj n PHE 11 Cb 0.61 -3.42 -0.04 0.00 -0.01 0.00 0.00 39.48 36.61 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 -2.38 1.55 -4.93 4.37 2.03 -1.26 -3.00 116.55 112.93 3hfj n ASP 12 Ca -0.14 -3.11 -0.25 0.00 0.52 0.00 0.00 54.79 51.81 3hfj n ASP 12 Cb 0.60 -0.61 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 -2.42 3.23 0.46 -0.67 0.04 -1.26 -4.84 135.00 129.53 3hfj s PRO 13 Ca 0.41 -0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 3hfj s PRO 13 Cb 0.30 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 3hfj s PRO 13 CO -0.09 -0.28 1.15 -1.25 0.04 0.00 0.00 177.00 176.57 3hfj s PRO 14 N -4.66 3.79 0.35 0.56 0.04 -1.16 -4.67 135.00 129.24 3hfj s PRO 14 Ca 0.48 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 3hfj s PRO 14 Cb -0.10 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3hfj s PRO 14 CO 0.41 -0.52 0.47 -3.38 0.04 0.00 0.00 177.00 174.02 3hfj s HIS 15 N -1.56 1.17 0.45 0.56 -3.43 -1.26 -4.83 115.29 106.39 3hfj s HIS 15 Ca 0.63 -1.36 0.20 0.00 -0.80 0.00 0.00 55.06 53.72 3hfj s HIS 15 Cb -0.28 -0.14 1.16 0.00 -1.43 0.00 0.00 32.58 31.89 3hfj s HIS 15 CO 0.34 -1.14 1.90 1.88 -2.00 0.00 0.00 174.74 175.72 3hfj h TYR 16 N 2.08 0.39 -0.47 0.38 0.99 -1.67 -2.15 116.97 116.52 3hfj h TYR 16 Ca -0.28 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.50 3hfj h TYR 16 Cb 1.24 -0.12 -0.04 0.00 1.00 0.00 0.00 36.73 38.81 3hfj h TYR 16 CO 1.62 0.12 0.25 0.78 -0.00 0.00 0.00 178.16 180.94 3hfj h GLY 17 N 0.31 0.65 0.94 3.88 0.00 -1.85 0.18 103.07 107.19 3hfj h GLY 17 Ca 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3hfj h GLY 17 CO -0.11 0.13 0.16 0.45 0.00 0.00 0.00 176.54 177.17 3hfj h HIS 18 N 0.50 0.56 -0.43 5.60 3.86 -1.75 -1.68 115.15 121.81 3hfj h HIS 18 Ca 0.20 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 3hfj h HIS 18 Cb 0.08 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3hfj h HIS 18 CO -0.09 0.50 -0.19 -0.07 0.86 0.00 0.00 177.93 178.94 3hfj h LEU 19 N 0.47 0.85 -0.55 2.43 3.38 -1.24 -0.75 115.31 119.89 3hfj h LEU 19 Ca 0.13 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hfj h LEU 19 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hfj h LEU 19 CO -0.01 1.02 0.30 -0.07 0.09 0.00 0.00 178.44 179.77 3hfj h LEU 20 N 0.74 0.69 0.02 1.67 3.38 -0.60 -0.31 115.31 120.89 3hfj h LEU 20 Ca 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hfj h LEU 20 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hfj h LEU 20 CO 0.05 0.58 -0.01 0.40 0.09 0.00 0.00 178.44 179.55 3hfj h ILE 21 N 0.74 1.18 -0.24 1.22 2.04 -1.00 -1.14 117.51 120.31 3hfj h ILE 21 Ca 0.19 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3hfj h ILE 21 Cb 0.04 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3hfj h ILE 21 CO -0.03 0.16 0.03 0.00 0.00 0.00 0.00 178.15 178.31 3hfj h ALA 22 N 0.67 0.24 -0.29 1.87 0.00 -1.11 -2.04 119.26 118.59 3hfj h ALA 22 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hfj h ALA 22 Cb 0.28 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hfj h ALA 22 CO 0.00 -0.39 0.14 -0.97 0.00 0.00 0.00 179.25 178.03 3hfj h ASN 23 N 0.12 0.20 -0.84 0.00 -0.00 -1.03 -0.05 115.58 113.97 3hfj h ASN 23 Ca 0.11 0.01 0.03 0.00 -0.00 0.00 0.00 56.30 56.46 3hfj h ASN 23 Cb 0.13 -0.02 -0.05 0.00 -0.00 0.00 0.00 38.32 38.37 3hfj h ASN 23 CO -0.17 0.16 0.54 -0.33 -0.00 0.00 0.00 177.43 177.64 3hfj h GLU 24 N 0.30 1.03 -0.24 6.67 4.39 -1.01 -0.36 114.58 125.36 3hfj h GLU 24 Ca 0.12 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3hfj h GLU 24 Cb 0.04 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3hfj h GLU 24 CO -0.09 0.68 -0.44 0.28 -1.16 0.00 0.00 179.01 178.29 3hfj h VAL 25 N 1.06 1.31 -0.36 3.13 2.07 -1.22 0.12 116.25 122.36 3hfj h VAL 25 Ca 0.33 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 66.29 3hfj h VAL 25 Cb -0.01 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3hfj h VAL 25 CO -0.11 0.52 -0.17 0.22 0.02 0.00 0.00 177.57 178.05 3hfj h TYR 26 N 0.43 -0.41 -0.12 1.57 5.03 -0.72 -1.76 116.97 120.99 3hfj h TYR 26 Ca 0.01 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.23 3hfj h TYR 26 Cb 1.04 0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.56 3hfj h TYR 26 CO 0.08 -0.24 -0.42 0.45 -1.32 0.00 0.00 178.16 176.71 3hfj h HIS 27 N -0.10 0.66 -1.00 -3.82 3.86 -1.02 -2.13 115.15 111.60 3hfj h HIS 27 Ca 0.18 -0.27 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3hfj h HIS 27 Cb 0.38 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 3hfj h HIS 27 CO -0.39 1.03 0.66 0.00 0.86 0.00 0.00 177.93 180.08 3hfj h ALA 28 N 0.51 1.34 -0.29 2.45 0.00 -0.62 -3.06 119.26 119.60 3hfj h ALA 28 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hfj h ALA 28 Cb 1.05 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hfj h ALA 28 CO 0.09 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.18 3hfj n LEU 29 N -4.44 2.86 -3.91 0.00 4.77 -0.67 -4.99 117.00 110.62 3hfj n LEU 29 Ca 0.14 -1.57 -0.31 0.00 -0.03 0.00 0.00 56.01 54.23 3hfj n LEU 29 Cb 0.09 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3hfj n LEU 29 CO 0.35 0.65 -0.19 0.59 -1.33 0.00 0.00 177.39 177.45 3hfj n ASN 30 N 0.90 -2.39 -4.80 -1.43 3.02 -1.01 -4.95 115.26 104.60 3hfj n ASN 30 Ca 0.13 -1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 53.27 3hfj n ASN 30 Cb 0.45 -2.83 -0.02 0.00 -0.61 0.00 0.00 39.78 36.77 3hfj n ASN 30 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hfj s LEU 31 N -6.92 3.74 0.10 3.41 1.43 -0.83 -4.91 118.68 114.69 3hfj s LEU 31 Ca 0.23 1.87 -0.15 0.00 -1.03 0.00 0.00 54.13 55.05 3hfj s LEU 31 Cb -0.10 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.50 3hfj s LEU 31 CO 0.90 -0.87 1.44 -0.08 0.23 0.00 0.00 176.35 177.97 3hfj h GLU 32 N 1.21 0.66 -3.36 1.70 4.81 -1.21 -3.48 114.58 114.91 3hfj h GLU 32 Ca -0.49 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.38 3hfj h GLU 32 Cb 1.22 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 3hfj h GLU 32 CO 0.59 0.92 -0.05 -1.21 -0.73 0.00 0.00 179.01 178.52 3hfj s GLU 33 N -4.49 1.08 -0.13 1.92 2.02 -1.24 -4.85 118.70 113.02 3hfj s GLU 33 Ca -0.13 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3hfj s GLU 33 Cb 0.09 0.48 0.01 0.00 0.10 0.00 0.00 34.13 34.80 3hfj s GLU 33 CO 0.81 -0.43 -0.23 0.08 0.02 0.00 0.00 175.26 175.52 3hfj s VAL 34 N -3.80 2.07 -0.24 2.63 1.01 0.05 -1.04 120.40 121.07 3hfj s VAL 34 Ca 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 3hfj s VAL 34 Cb 0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3hfj s VAL 34 CO -0.12 0.55 0.13 0.26 0.00 0.00 0.00 175.10 175.92 3hfj s TRP 35 N 0.65 3.23 0.09 5.22 0.51 0.49 -1.37 118.94 127.76 3hfj s TRP 35 Ca -0.11 0.03 -0.30 0.00 -2.12 0.00 0.00 56.10 53.60 3hfj s TRP 35 Cb -0.16 -2.26 -0.05 0.00 -0.81 0.00 0.00 33.47 30.19 3hfj s TRP 35 CO 0.02 -0.07 0.95 -0.06 -0.51 0.00 0.00 176.95 177.28 3hfj s PHE 36 N 1.23 3.78 -0.59 -1.98 0.40 0.42 -1.48 117.98 119.76 3hfj s PHE 36 Ca 0.06 1.75 0.04 0.00 -0.60 0.00 0.00 56.93 58.19 3hfj s PHE 36 Cb -0.14 -3.04 0.15 0.00 0.51 0.00 0.00 43.02 40.50 3hfj s PHE 36 CO 0.05 0.18 0.38 -1.17 0.70 0.00 0.00 175.22 175.37 3hfj s LEU 37 N 0.15 4.10 0.20 -0.37 2.96 0.92 -0.44 118.68 126.20 3hfj s LEU 37 Ca 0.47 -3.40 -0.31 0.00 -0.22 0.00 0.00 54.13 50.66 3hfj s LEU 37 Cb -0.23 -1.45 -0.11 0.00 0.50 0.00 0.00 46.19 44.90 3hfj s LEU 37 CO 0.29 -0.15 1.61 -2.16 -1.32 0.00 0.00 176.35 174.61 3hfj s PRO 38 N -0.77 4.18 0.48 0.98 0.04 -1.26 -2.89 135.00 135.75 3hfj s PRO 38 Ca 0.23 2.46 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 3hfj s PRO 38 Cb -0.12 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 3hfj s PRO 38 CO -0.10 -0.64 0.88 -0.80 0.04 0.00 0.00 177.00 176.37 3hfj s ASN 39 N 1.01 6.49 0.41 6.66 0.01 -0.03 -3.27 114.94 126.22 3hfj s ASN 39 Ca 0.70 1.29 -0.22 0.00 -0.71 0.00 0.00 52.86 53.92 3hfj s ASN 39 Cb -0.46 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 38.70 3hfj s ASN 39 CO 0.35 -0.54 0.97 -1.10 -1.51 0.00 0.00 177.10 175.26 3hfj s GLN 40 N -4.20 4.25 -0.14 -0.60 -1.52 -1.26 -4.80 119.66 111.39 3hfj s GLN 40 Ca 0.54 1.25 0.01 0.00 -1.95 0.00 0.00 55.36 55.21 3hfj s GLN 40 Cb -0.10 -2.36 -0.00 0.00 -0.22 0.00 0.00 33.01 30.32 3hfj s GLN 40 CO 0.36 -0.02 -0.18 0.42 -0.25 0.00 0.00 175.29 175.62 3hfj s ILE 41 N -1.95 2.47 0.66 1.08 1.01 -1.26 -4.52 121.20 118.67 3hfj s ILE 41 Ca 0.59 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 3hfj s ILE 41 Cb -0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 3hfj s ILE 41 CO 0.18 0.53 1.13 -2.16 0.00 0.00 0.00 174.94 174.62 3hfj s PRO 42 N 0.68 2.75 0.55 2.79 0.04 -1.26 -4.92 135.00 135.64 3hfj s PRO 42 Ca -0.09 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.23 3hfj s PRO 42 Cb -0.16 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3hfj s PRO 42 CO 0.02 -1.30 1.22 -2.30 0.04 0.00 0.00 177.00 174.67 3hfj n PRO 43 N -2.32 1.42 -1.76 0.56 -0.02 -1.26 -4.89 135.00 126.73 3hfj n PRO 43 Ca 0.11 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 3hfj n PRO 43 Cb 0.51 -2.41 -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 -1.35 2.70 0.41 6.00 2.46 -1.26 -4.89 115.29 119.36 3hfj s HIS 44 Ca 0.72 0.28 0.19 0.00 0.47 0.00 0.00 55.06 56.73 3hfj s HIS 44 Cb -0.43 -4.12 1.11 0.00 -0.13 0.00 0.00 32.58 29.01 3hfj s HIS 44 CO 0.49 -4.33 1.98 0.87 -2.47 0.00 0.00 174.74 171.28 3hfj h LYS 45 N 7.34 0.00 -0.39 2.88 1.79 -1.93 -2.93 116.57 123.34 3hfj h LYS 45 Ca -0.44 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.85 3hfj h LYS 45 Cb 1.21 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.75 3hfj h LYS 45 CO 0.95 0.20 -0.01 1.04 -1.08 0.00 0.00 179.45 180.55 3hfj n GLN 46 N -3.97 2.02 -0.97 3.15 6.02 -1.26 -4.95 117.38 117.41 3hfj n GLN 46 Ca -0.02 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 3hfj n GLN 46 Cb 0.29 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.04 0.11 0.00 1.08 0.00 -1.11 -5.00 105.19 99.23 3hfj n GLY 47 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3hfj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfj n ARG 48 N 0.03 0.17 -2.78 1.61 1.74 -1.26 -5.00 116.66 111.18 3hfj n ARG 48 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3hfj n ARG 48 Cb 0.37 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.76 3hfj n ARG 48 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3hfj s ASN 49 N -1.00 7.55 0.19 0.55 0.02 -1.26 -4.59 114.94 116.39 3hfj s ASN 49 Ca 0.00 1.84 0.11 0.00 -1.02 0.00 0.00 52.86 53.79 3hfj s ASN 49 Cb 0.00 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 3hfj s ASN 49 CO 0.00 0.07 -0.22 0.27 0.02 0.00 0.00 177.10 177.24 3hfj s ILE 50 N -0.68 2.47 0.01 0.60 -4.36 -1.26 -4.93 121.20 113.04 3hfj s ILE 50 Ca 0.43 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 3hfj s ILE 50 Cb -0.24 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 3hfj s ILE 50 CO 0.30 -0.10 1.19 -0.89 0.24 0.00 0.00 174.94 175.69 3hfj s THR 51 N -1.63 4.16 0.87 8.37 2.01 -1.26 -4.99 115.64 123.16 3hfj s THR 51 Ca 0.21 1.53 -0.12 0.00 0.31 0.00 0.00 61.69 63.62 3hfj s THR 51 Cb -0.08 -3.98 0.11 0.00 0.01 0.00 0.00 72.50 68.56 3hfj s THR 51 CO 0.10 0.06 1.13 -1.54 -0.69 0.00 0.00 174.62 173.69 3hfj n SER 52 N 4.50 0.54 -0.22 3.53 3.41 -1.26 -4.79 113.62 119.33 3hfj n SER 52 Ca 0.10 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.19 3hfj n SER 52 Cb 0.46 -1.48 0.10 0.00 -0.26 0.00 0.00 64.21 63.04 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 -1.41 0.91 -0.32 -3.33 2.07 -1.98 -1.36 116.25 110.83 3hfj h VAL 53 Ca -0.45 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3hfj h VAL 53 Cb 1.29 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3hfj h VAL 53 CO 0.43 0.11 0.05 -0.08 0.02 0.00 0.00 177.57 178.09 3hfj h GLU 54 N 0.60 0.15 0.03 1.57 4.81 -1.99 -0.73 114.58 119.01 3hfj h GLU 54 Ca 0.30 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3hfj h GLU 54 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3hfj h GLU 54 CO -0.22 0.10 -0.01 0.77 -0.73 0.00 0.00 179.01 178.92 3hfj h SER 55 N 0.15 -0.03 -0.84 1.04 0.02 -1.86 -2.08 113.55 109.95 3hfj h SER 55 Ca 0.15 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3hfj h SER 55 Cb 0.18 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3hfj h SER 55 CO -0.21 0.20 0.39 0.03 -1.14 0.00 0.00 176.83 176.09 3hfj h ARG 56 N -0.26 1.22 -0.51 3.45 3.08 -1.11 -1.01 114.38 119.23 3hfj h ARG 56 Ca -0.00 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3hfj h ARG 56 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hfj h ARG 56 CO 0.01 0.95 0.15 1.25 -1.07 0.00 0.00 179.97 181.26 3hfj h LEU 57 N 1.21 0.75 -0.54 3.04 5.85 -1.09 -1.74 115.31 122.78 3hfj h LEU 57 Ca 0.29 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3hfj h LEU 57 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3hfj h LEU 57 CO -0.03 0.77 -0.49 -0.61 -0.34 0.00 0.00 178.44 177.74 3hfj h GLN 58 N 0.70 0.61 -0.67 1.25 5.75 -0.99 0.16 115.11 121.92 3hfj h GLN 58 Ca 0.17 -0.36 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3hfj h GLN 58 Cb 0.29 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 3hfj h GLN 58 CO -0.00 0.96 0.42 0.52 -2.65 0.00 0.00 178.83 178.08 3hfj h MET 59 N 0.49 0.91 -0.60 1.69 2.86 -1.14 -1.32 114.93 117.82 3hfj h MET 59 Ca 0.02 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3hfj h MET 59 Cb 1.03 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 3hfj h MET 59 CO 0.10 0.63 0.27 -0.07 1.06 0.00 0.00 176.91 178.90 3hfj h LEU 60 N 0.92 0.80 -0.29 1.22 3.38 -0.91 0.51 115.31 120.94 3hfj h LEU 60 Ca 0.24 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hfj h LEU 60 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3hfj h LEU 60 CO -0.05 0.73 0.07 -0.33 0.09 0.00 0.00 178.44 178.95 3hfj h GLU 61 N 0.82 0.18 -0.70 1.13 4.39 -0.78 -1.84 114.58 117.78 3hfj h GLU 61 Ca 0.20 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3hfj h GLU 61 Cb 0.16 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3hfj h GLU 61 CO -0.02 0.12 0.21 -0.07 -1.16 0.00 0.00 179.01 178.09 3hfj h LEU 62 N 0.18 1.01 -1.32 1.33 3.38 -0.89 0.44 115.31 119.44 3hfj h LEU 62 Ca 0.13 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3hfj h LEU 62 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hfj h LEU 62 CO -0.17 0.95 -0.27 0.00 0.09 0.00 0.00 178.44 179.04 3hfj h ALA 63 N 1.19 1.44 -0.01 1.53 0.00 -0.70 -3.30 119.26 119.41 3hfj h ALA 63 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hfj h ALA 63 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hfj h ALA 63 CO -0.01 0.41 -0.06 0.25 0.00 0.00 0.00 179.25 179.84 3hfj n THR 64 N -4.18 0.00 -0.15 0.00 -2.24 -0.71 -4.73 114.28 102.26 3hfj n THR 64 Ca -0.02 -0.47 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 3hfj n THR 64 Cb 0.34 1.13 0.29 0.00 -2.10 0.00 0.00 70.33 70.00 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 1.27 0.85 0.00 -0.78 4.11 -1.00 -2.12 114.58 116.91 3hfj h GLU 65 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 3hfj h GLU 65 Cb 0.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hfj h GLU 65 CO 0.00 0.58 -0.01 0.00 0.07 0.00 0.00 179.01 179.65 3hfj h ALA 66 N 1.57 1.00 -2.75 1.06 0.00 -1.85 -3.43 119.26 114.86 3hfj h ALA 66 Ca 0.23 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.43 3hfj h ALA 66 Cb -0.07 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.48 3hfj h ALA 66 CO -0.05 0.01 -0.50 -1.21 0.00 0.00 0.00 179.25 177.51 3hfj s GLU 67 N -3.54 2.87 0.31 0.00 8.01 -0.80 -4.95 118.70 120.60 3hfj s GLU 67 Ca 0.03 -1.06 0.08 0.00 0.01 0.00 0.00 54.97 54.03 3hfj s GLU 67 Cb 0.08 -3.77 0.85 0.00 -4.31 0.00 0.00 34.13 26.98 3hfj s GLU 67 CO 0.58 -0.70 1.72 1.49 0.01 0.00 0.00 175.26 178.36 3hfj h GLU 68 N 8.47 0.51 -0.17 1.61 4.22 -1.84 -1.99 114.58 125.40 3hfj h GLU 68 Ca -0.26 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.15 3hfj h GLU 68 Cb 1.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3hfj h GLU 68 CO 0.68 0.34 0.00 -2.39 -2.18 0.00 0.00 179.01 175.46 3hfj n HIS 69 N -4.93 0.21 -4.56 0.92 1.44 -1.26 -4.72 115.22 102.32 3hfj n HIS 69 Ca 0.26 -0.11 -0.33 0.00 -2.01 0.00 0.00 57.72 55.53 3hfj n HIS 69 Cb 0.73 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.70 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 -1.79 2.91 0.29 -1.40 2.99 -0.75 -0.77 117.98 119.46 3hfj s PHE 70 Ca 0.31 -0.53 0.03 0.00 0.00 0.00 0.00 56.93 56.74 3hfj s PHE 70 Cb 0.17 -1.91 -0.06 0.00 0.00 0.00 0.00 43.02 41.22 3hfj s PHE 70 CO 0.25 -0.17 0.06 -1.12 -0.00 0.00 0.00 175.22 174.24 3hfj s SER 71 N 0.44 1.94 -0.15 1.36 0.01 -0.47 -4.85 113.70 111.97 3hfj s SER 71 Ca -0.07 -1.35 -0.01 0.00 1.31 0.00 0.00 55.95 55.83 3hfj s SER 71 Cb -0.15 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3hfj s SER 71 CO 0.04 -0.63 -0.12 -0.63 0.41 0.00 0.00 173.24 172.32 3hfj s ILE 72 N -3.45 3.04 -0.26 1.44 1.01 -1.26 -0.44 121.20 121.28 3hfj s ILE 72 Ca 0.36 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3hfj s ILE 72 Cb 0.08 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 3hfj s ILE 72 CO 0.14 0.50 0.17 0.00 0.00 0.00 0.00 174.94 175.75 3hfj n LEU 74 N 4.65 2.70 -0.24 0.00 4.77 -1.26 -4.14 117.00 123.47 3hfj n LEU 74 Ca -0.15 -1.22 0.05 0.00 -0.03 0.00 0.00 56.01 54.66 3hfj n LEU 74 Cb 0.52 -0.24 0.17 0.00 -2.33 0.00 0.00 43.42 41.54 3hfj n LEU 74 CO 0.34 0.61 0.90 -0.08 -1.33 0.00 0.00 177.39 177.83 3hfj h GLU 75 N 3.32 0.21 0.14 3.23 4.57 -1.94 -1.16 114.58 122.95 3hfj h GLU 75 Ca 0.00 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 3hfj h GLU 75 Cb 0.74 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.30 3hfj h GLU 75 CO 0.00 0.14 -0.91 0.93 -1.18 0.00 0.00 179.01 177.98 3hfj h GLU 76 N 0.22 0.30 -0.04 1.92 5.08 -1.81 -3.38 114.58 116.87 3hfj h GLU 76 Ca 0.40 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3hfj h GLU 76 Cb 0.69 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3hfj h GLU 76 CO -0.54 1.25 -0.27 1.25 -1.00 0.00 0.00 179.01 179.70 3hfj h LEU 77 N -0.35 0.07 -0.25 1.33 5.85 -1.43 -1.30 115.31 119.23 3hfj h LEU 77 Ca -0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hfj h LEU 77 Cb 1.68 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3hfj h LEU 77 CO 0.14 0.35 0.00 -1.54 -0.34 0.00 0.00 178.44 177.05 3hfj n SER 78 N -4.19 0.51 -4.89 1.25 3.41 -0.48 -4.81 113.62 104.42 3hfj n SER 78 Ca -0.02 0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 58.88 3hfj n SER 78 Cb 0.34 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.62 3hfj n SER 78 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hfj s ARG 79 N -3.15 2.84 0.03 4.33 0.52 -0.49 -5.02 118.95 118.02 3hfj s ARG 79 Ca 0.08 0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.48 3hfj s ARG 79 Cb 0.12 -2.08 -0.36 0.00 0.52 0.00 0.00 34.95 33.15 3hfj s ARG 79 CO 0.46 -0.98 1.00 0.87 0.02 0.00 0.00 175.30 176.68 3hfj h LYS 80 N -0.56 0.55 -5.15 3.54 1.57 -1.87 -3.48 116.57 111.18 3hfj h LYS 80 Ca -0.45 -0.93 -0.65 0.00 -1.87 0.00 0.00 60.65 56.75 3hfj h LYS 80 Cb 1.26 0.35 -0.13 0.00 0.08 0.00 0.00 32.23 33.78 3hfj h LYS 80 CO 0.63 1.45 -0.51 0.20 -0.57 0.00 0.00 179.45 180.64 3hfj s GLY 81 N -4.59 2.92 0.60 3.86 0.00 -1.26 -4.96 107.32 103.89 3hfj s GLY 81 Ca -0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 44.72 43.84 3hfj s GLY 81 CO 0.95 -2.10 1.32 -4.14 0.00 0.00 0.00 173.10 169.13 3hfj s PRO 82 N -3.83 2.86 -0.03 2.90 0.02 -1.26 -4.76 135.00 130.90 3hfj s PRO 82 Ca 0.10 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.29 3hfj s PRO 82 Cb 0.02 -2.04 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3hfj s PRO 82 CO 0.06 -1.37 -0.17 -1.12 -0.33 0.00 0.00 177.00 174.06 3hfj s SER 83 N -1.21 3.78 0.34 2.53 0.01 -1.26 -5.05 113.70 112.84 3hfj s SER 83 Ca 0.77 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 3hfj s SER 83 Cb -0.38 -0.70 -0.11 0.00 0.21 0.00 0.00 66.02 65.04 3hfj s SER 83 CO 0.43 0.33 1.38 -0.31 0.41 0.00 0.00 173.24 175.47 3hfj s TYR 84 N -0.73 2.89 0.29 2.43 4.12 -1.26 -4.94 117.35 120.15 3hfj s TYR 84 Ca 0.12 1.30 0.04 0.00 0.02 0.00 0.00 57.07 58.55 3hfj s TYR 84 Cb -0.10 -3.81 0.69 0.00 -1.52 0.00 0.00 41.96 37.22 3hfj s TYR 84 CO 0.01 -2.30 1.76 1.15 0.02 0.00 0.00 175.55 176.18 3hfj h THR 85 N 3.05 0.66 -0.50 -0.71 2.02 -2.00 -1.85 112.91 113.59 3hfj h THR 85 Ca -0.49 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 66.54 3hfj h THR 85 Cb 1.23 -0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3hfj h THR 85 CO 0.66 0.12 0.14 0.22 0.37 0.00 0.00 175.52 177.02 3hfj h TYR 86 N 0.65 0.23 -0.49 3.16 5.03 -1.92 -0.89 116.97 122.74 3hfj h TYR 86 Ca 0.55 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.77 3hfj h TYR 86 Cb 0.88 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 3hfj h TYR 86 CO -0.05 0.04 -0.14 -0.44 -1.32 0.00 0.00 178.16 176.25 3hfj h ASP 87 N 0.29 0.97 0.11 -2.11 3.45 -1.73 -1.21 116.42 116.19 3hfj h ASP 87 Ca 0.24 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3hfj h ASP 87 Cb 0.30 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3hfj h ASP 87 CO -0.29 1.12 -0.11 0.74 -1.57 0.00 0.00 179.24 179.13 3hfj h THR 88 N 0.82 0.74 -0.01 0.35 2.02 -1.26 -2.59 112.91 112.98 3hfj h THR 88 Ca 0.12 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 3hfj h THR 88 Cb 0.71 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hfj h THR 88 CO 0.05 0.00 -0.44 0.24 0.37 0.00 0.00 175.52 175.74 3hfj h MET 89 N -0.25 0.03 -0.17 6.66 2.86 -1.04 0.04 114.93 123.05 3hfj h MET 89 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3hfj h MET 89 Cb 0.24 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3hfj h MET 89 CO -0.03 0.47 0.09 1.25 1.06 0.00 0.00 176.91 179.74 3hfj h LEU 90 N 0.02 0.22 -0.51 1.22 5.85 -1.22 -0.15 115.31 120.74 3hfj h LEU 90 Ca -0.00 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3hfj h LEU 90 Cb 0.80 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3hfj h LEU 90 CO 0.06 0.27 0.26 1.56 -0.34 0.00 0.00 178.44 180.24 3hfj h GLN 91 N 0.16 0.72 -0.63 1.25 1.08 -1.01 -1.69 115.11 114.99 3hfj h GLN 91 Ca 0.06 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3hfj h GLN 91 Cb 0.10 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3hfj h GLN 91 CO -0.01 0.59 0.27 -0.07 -0.95 0.00 0.00 178.83 178.66 3hfj h LEU 92 N 0.67 0.85 -0.46 1.46 3.38 -0.95 -0.01 115.31 120.26 3hfj h LEU 92 Ca 0.18 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hfj h LEU 92 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hfj h LEU 92 CO -0.02 0.78 0.23 0.74 0.09 0.00 0.00 178.44 180.25 3hfj h THR 93 N 0.88 0.97 -0.21 0.22 2.02 -0.94 0.18 112.91 116.03 3hfj h THR 93 Ca 0.21 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3hfj h THR 93 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3hfj h THR 93 CO -0.02 0.08 0.13 0.50 0.37 0.00 0.00 175.52 176.58 3hfj h LYS 94 N 0.46 0.26 0.00 6.66 3.64 -1.01 -2.95 116.57 123.63 3hfj h LYS 94 Ca 0.20 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3hfj h LYS 94 Cb 0.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3hfj h LYS 94 CO -0.13 0.17 -0.56 0.87 -2.27 0.00 0.00 179.45 177.53 3hfj h LYS 95 N 0.27 0.00 -2.23 1.90 1.57 -0.71 -3.36 116.57 114.00 3hfj h LYS 95 Ca 0.08 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.28 3hfj h LYS 95 Cb -0.02 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.89 3hfj h LYS 95 CO -0.03 0.56 -0.84 0.66 -0.57 0.00 0.00 179.45 179.22 3hfj n TYR 96 N -3.57 1.46 0.30 -1.35 4.02 0.60 -4.98 117.16 113.64 3hfj n TYR 96 Ca -0.00 -3.83 0.05 0.00 -0.01 0.00 0.00 57.90 54.10 3hfj n TYR 96 Cb 0.63 -0.39 0.20 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.42 0.01 -0.62 -0.72 -0.04 -1.12 -1.98 135.00 131.95 3hfj n PRO 97 Ca 0.25 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 64.15 3hfj n PRO 97 Cb 0.46 -1.52 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.54 4.70 -4.53 3.54 2.03 -1.26 -4.96 116.55 114.53 3hfj n ASP 98 Ca 0.02 -2.65 -0.34 0.00 0.52 0.00 0.00 54.79 52.34 3hfj n ASP 98 Cb 0.11 -0.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 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 -2.22 3.83 -0.37 5.18 1.01 -0.84 -0.90 120.40 126.09 3hfj s VAL 99 Ca 0.48 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 3hfj s VAL 99 Cb 0.34 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3hfj s VAL 99 CO 0.18 0.53 0.31 -1.58 0.00 0.00 0.00 175.10 174.55 3hfj s GLN 100 N -0.06 3.30 -0.03 2.72 0.74 0.83 -4.91 119.66 122.25 3hfj s GLN 100 Ca 0.01 -0.72 -0.22 0.00 0.05 0.00 0.00 55.36 54.48 3hfj s GLN 100 Cb -0.13 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.05 3hfj s GLN 100 CO 0.03 -0.61 0.66 -0.06 -0.55 0.00 0.00 175.29 174.75 3hfj s PHE 101 N 1.84 3.63 -0.34 1.67 0.40 -1.26 -1.90 117.98 122.01 3hfj s PHE 101 Ca 0.08 1.24 -0.02 0.00 -0.60 0.00 0.00 56.93 57.62 3hfj s PHE 101 Cb -0.18 -2.72 0.07 0.00 0.51 0.00 0.00 43.02 40.70 3hfj s PHE 101 CO 0.11 0.21 0.08 -1.01 0.70 0.00 0.00 175.22 175.31 3hfj s HIS 102 N 0.34 3.39 -0.42 0.36 3.76 0.71 -1.25 115.29 122.17 3hfj s HIS 102 Ca 0.35 -2.06 -0.19 0.00 -0.15 0.00 0.00 55.06 53.01 3hfj s HIS 102 Cb -0.18 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.00 3hfj s HIS 102 CO 0.18 -0.86 0.55 0.12 -0.85 0.00 0.00 174.74 173.88 3hfj s PHE 103 N 1.21 3.12 -0.12 1.40 5.36 0.27 -0.30 117.98 128.92 3hfj s PHE 103 Ca 0.00 -0.16 -0.25 0.00 -0.96 0.00 0.00 56.93 55.56 3hfj s PHE 103 Cb -0.21 -3.12 -0.02 0.00 -0.34 0.00 0.00 43.02 39.33 3hfj s PHE 103 CO -0.02 -0.77 0.81 0.42 -1.46 0.00 0.00 175.22 174.20 3hfj s ILE 104 N 2.50 4.93 0.08 3.12 1.01 -0.04 -0.60 121.20 132.21 3hfj s ILE 104 Ca 0.18 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.49 3hfj s ILE 104 Cb -0.15 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3hfj s ILE 104 CO 0.16 0.11 -0.11 0.27 0.00 0.00 0.00 174.94 175.37 3hfj s ILE 105 N 1.58 0.95 0.51 2.92 -4.36 0.40 -4.60 121.20 118.61 3hfj s ILE 105 Ca 0.40 -1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 59.11 3hfj s ILE 105 Cb -0.17 -1.17 -0.06 0.00 1.25 0.00 0.00 42.46 42.30 3hfj s ILE 105 CO 0.16 -0.43 1.19 -0.83 0.24 0.00 0.00 174.94 175.28 3hfj s GLY 106 N -2.11 2.76 0.27 6.27 0.00 -1.26 -1.66 107.32 111.58 3hfj s GLY 106 Ca 0.01 0.98 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 3hfj s GLY 106 CO 0.01 1.41 1.73 -1.33 0.00 0.00 0.00 173.10 174.91 3hfj h GLY 107 N 1.57 1.34 2.00 0.20 0.00 -1.72 -0.26 103.07 106.19 3hfj h GLY 107 Ca -0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3hfj h GLY 107 CO 0.58 -0.14 -0.05 -0.55 0.00 0.00 0.00 176.54 176.38 3hfj h ASP 108 N 0.47 0.00 1.05 0.19 5.19 -1.92 -2.32 116.42 119.09 3hfj h ASP 108 Ca 0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.81 3hfj h ASP 108 Cb 0.78 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 3hfj h ASP 108 CO -0.44 0.05 -0.36 0.24 -3.12 0.00 0.00 179.24 175.61 3hfj h MET 109 N 0.00 0.00 -0.72 3.56 2.86 -1.40 -3.36 114.93 115.88 3hfj h MET 109 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hfj h MET 109 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3hfj h MET 109 CO 0.01 0.36 0.44 0.28 1.06 0.00 0.00 176.91 179.06 3hfj h VAL 110 N 0.00 1.20 -0.24 -2.22 2.07 -1.41 -1.31 116.25 114.34 3hfj h VAL 110 Ca -0.00 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3hfj h VAL 110 Cb 0.99 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3hfj h VAL 110 CO 0.05 0.20 0.30 -0.08 0.02 0.00 0.00 177.57 178.06 3hfj h GLU 111 N 0.97 0.00 -0.23 1.57 4.81 -1.75 -2.47 114.58 117.48 3hfj h GLU 111 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3hfj h GLU 111 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3hfj h GLU 111 CO -0.05 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.89 3hfj n TYR 112 N -3.65 0.29 -0.34 0.92 4.02 -0.50 -4.60 117.16 113.30 3hfj n TYR 112 Ca 0.03 -0.21 0.18 0.00 -0.01 0.00 0.00 57.90 57.90 3hfj n TYR 112 Cb 0.43 -0.01 0.39 0.00 -0.02 0.00 0.00 39.34 40.13 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 3.23 0.63 -1.05 7.72 3.38 -1.38 -0.65 115.31 127.19 3hfj h LEU 113 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hfj h LEU 113 Cb 0.77 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hfj h LEU 113 CO 0.00 0.07 0.01 -2.65 0.09 0.00 0.00 178.44 175.95 3hfj n PRO 114 N -4.92 0.10 0.00 1.13 -0.02 -1.26 -1.74 135.00 128.29 3hfj n PRO 114 Ca 0.27 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 3hfj n PRO 114 Cb 0.77 -1.84 0.14 0.00 -0.02 0.00 0.00 33.50 32.54 3hfj n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hfj n LYS 115 N -2.05 1.31 -2.23 -0.52 5.02 -0.25 -4.93 118.16 114.50 3hfj n LYS 115 Ca -0.01 -1.01 -0.41 0.00 -2.02 0.00 0.00 58.31 54.87 3hfj n LYS 115 Cb 0.03 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.39 3.22 0.00 2.13 0.52 -0.71 -4.91 118.94 116.80 3hfj s TRP 116 Ca 0.22 1.47 -0.34 0.00 0.02 0.00 0.00 56.10 57.47 3hfj s TRP 116 Cb 0.19 -3.56 -0.12 0.00 -1.15 0.00 0.00 33.47 28.82 3hfj s TRP 116 CO 0.51 -1.51 1.77 0.98 0.02 0.00 0.00 176.95 178.72 3hfj n TYR 117 N 1.15 2.31 -3.56 -1.98 9.36 -1.26 -2.49 117.16 120.70 3hfj n TYR 117 Ca 0.01 0.08 -0.24 0.00 3.32 0.00 0.00 57.90 61.07 3hfj n TYR 117 Cb 0.43 -2.62 0.08 0.00 -0.63 0.00 0.00 39.34 36.59 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 5.49 -6.39 -0.34 2.98 5.15 -1.26 -4.58 115.26 116.31 3hfj n ASN 118 Ca 0.20 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 3hfj n ASN 118 Cb 0.29 -5.03 0.14 0.00 -0.53 0.00 0.00 39.78 34.65 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 -2.63 1.11 -0.42 -1.44 6.09 -1.80 -0.68 117.51 117.73 3hfj h ILE 119 Ca -0.57 -0.38 0.01 0.00 -1.37 0.00 0.00 64.86 62.55 3hfj h ILE 119 Cb 1.37 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.54 3hfj h ILE 119 CO 0.56 0.20 0.27 -0.33 -3.07 0.00 0.00 178.15 175.79 3hfj h GLU 120 N 1.11 0.54 -0.31 2.19 4.39 -1.90 0.13 114.58 120.73 3hfj h GLU 120 Ca 0.38 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 3hfj h GLU 120 Cb 0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3hfj h GLU 120 CO -0.15 0.36 -0.23 0.00 -1.16 0.00 0.00 179.01 177.84 3hfj h ALA 121 N 1.16 1.02 -0.49 3.43 0.00 -1.82 -3.01 119.26 119.55 3hfj h ALA 121 Ca 0.15 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3hfj h ALA 121 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hfj h ALA 121 CO -0.04 0.59 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 3hfj h LEU 122 N 0.53 0.96 -2.04 0.00 5.85 -0.55 -2.47 115.31 117.59 3hfj h LEU 122 Ca 0.08 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3hfj h LEU 122 Cb 0.68 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3hfj h LEU 122 CO 0.05 1.11 0.31 -0.07 -0.34 0.00 0.00 178.44 179.50 3hfj h LEU 123 N 0.84 0.00 -0.06 2.25 3.38 -0.62 0.13 115.31 121.23 3hfj h LEU 123 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hfj h LEU 123 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hfj h LEU 123 CO 0.05 0.00 -0.08 0.47 0.09 0.00 0.00 178.44 178.97 3hfj n ASP 124 N -4.20 0.17 -0.05 -0.43 8.00 -0.94 -3.87 116.55 115.24 3hfj n ASP 124 Ca 0.06 -0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 3hfj n ASP 124 Cb 0.50 -0.24 -0.13 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.30 0.00 -4.09 0.64 4.77 0.38 -5.05 117.00 112.37 3hfj n LEU 125 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 3hfj n LEU 125 Cb 0.29 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3hfj n LEU 125 CO 0.26 0.22 -0.37 0.68 -1.33 0.00 0.00 177.39 176.85 3hfj s VAL 126 N -2.75 0.34 -0.29 4.08 -7.23 -0.73 -4.55 120.40 109.28 3hfj s VAL 126 Ca -0.07 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 3hfj s VAL 126 Cb 0.08 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 3hfj s VAL 126 CO 0.69 -0.82 0.19 -0.89 -0.31 0.00 0.00 175.10 173.96 3hfj s THR 127 N -3.16 5.18 0.22 5.32 2.01 -0.38 -4.65 115.64 120.19 3hfj s THR 127 Ca 0.02 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 3hfj s THR 127 Cb 0.02 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 3hfj s THR 127 CO -0.06 0.20 1.11 -0.36 -0.69 0.00 0.00 174.62 174.82 3hfj s PHE 128 N 1.73 3.56 -0.30 4.92 0.40 -1.26 -0.57 117.98 126.46 3hfj s PHE 128 Ca 0.07 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 58.00 3hfj s PHE 128 Cb -0.16 -3.30 0.05 0.00 0.51 0.00 0.00 43.02 40.12 3hfj s PHE 128 CO 0.10 -0.67 -0.00 0.08 0.70 0.00 0.00 175.22 175.43 3hfj s VAL 129 N -0.63 2.92 0.07 -0.44 1.01 0.23 -1.13 120.40 122.44 3hfj s VAL 129 Ca 0.48 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3hfj s VAL 129 Cb -0.31 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 3hfj s VAL 129 CO 0.38 -0.13 0.50 -0.83 0.00 0.00 0.00 175.10 175.03 3hfj s GLY 130 N 1.26 2.54 -0.28 4.51 0.00 0.67 -0.45 107.32 115.56 3hfj s GLY 130 Ca -0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 3hfj s GLY 130 CO -0.02 0.24 0.24 0.14 0.00 0.00 0.00 173.10 173.70 3hfj s VAL 131 N -1.22 5.27 0.11 1.40 1.01 -0.66 -1.28 120.40 125.03 3hfj s VAL 131 Ca 0.30 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3hfj s VAL 131 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3hfj s VAL 131 CO 0.17 0.22 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 3hfj s ALA 132 N 1.84 2.76 0.53 5.51 0.00 -0.35 -1.85 121.76 130.20 3hfj s ALA 132 Ca 0.09 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 3hfj s ALA 132 Cb -0.16 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 3hfj s ALA 132 CO 0.11 0.61 1.30 1.03 0.00 0.00 0.00 175.76 178.80 3hfj s ARG 133 N -2.10 3.27 0.26 0.00 0.52 -1.25 -0.70 118.95 118.95 3hfj s ARG 133 Ca 0.19 2.08 -0.31 0.00 -0.52 0.00 0.00 55.73 57.17 3hfj s ARG 133 Cb -0.11 -2.26 -0.12 0.00 0.52 0.00 0.00 34.95 32.98 3hfj s ARG 133 CO 0.11 -1.04 1.61 -2.30 0.02 0.00 0.00 175.30 173.70 3hfj n PRO 134 N -0.96 2.64 -0.15 3.54 -0.02 -1.26 -1.46 135.00 137.33 3hfj n PRO 134 Ca 0.10 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3hfj n PRO 134 Cb 0.46 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 2.68 1.66 3.87 -1.23 0.00 -1.26 -5.04 105.19 105.87 3hfj n GLY 135 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 3.40 0.16 1.61 4.12 -0.54 -5.12 117.35 118.19 3hfj s TYR 136 Ca 0.00 0.17 0.09 0.00 0.02 0.00 0.00 57.07 57.35 3hfj s TYR 136 Cb 0.00 -1.70 -0.04 0.00 -1.52 0.00 0.00 41.96 38.70 3hfj s TYR 136 CO 0.00 0.56 -0.20 0.15 0.02 0.00 0.00 175.55 176.08 3hfj s LYS 137 N -2.56 1.28 -0.07 -0.62 1.02 -1.26 -4.70 119.74 112.82 3hfj s LYS 137 Ca 0.33 -1.38 -0.09 0.00 0.02 0.00 0.00 55.97 54.85 3hfj s LYS 137 Cb -0.12 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.72 3hfj s LYS 137 CO 0.26 0.30 0.23 -0.51 -0.92 0.00 0.00 175.35 174.71 3hfj s LEU 138 N -2.51 4.41 -0.24 3.17 1.43 -1.26 -5.08 118.68 118.60 3hfj s LEU 138 Ca 0.15 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3hfj s LEU 138 Cb -0.07 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.89 3hfj s LEU 138 CO 0.07 0.37 -0.05 -0.60 0.23 0.00 0.00 176.35 176.36 3hfj s ARG 139 N -1.12 2.96 -0.16 1.70 3.52 -1.26 -5.08 118.95 119.50 3hfj s ARG 139 Ca 0.19 -0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 54.63 3hfj s ARG 139 Cb -0.13 -3.00 0.07 0.00 -1.56 0.00 0.00 34.95 30.32 3hfj s ARG 139 CO 0.08 -0.36 0.66 -0.08 -0.81 0.00 0.00 175.30 174.79 3hfj s THR 140 N 1.37 0.00 -0.33 4.11 -1.32 -1.26 -4.66 115.64 113.55 3hfj s THR 140 Ca 0.02 -0.03 0.24 0.00 -1.21 0.00 0.00 61.69 60.71 3hfj s THR 140 Cb -0.16 -0.95 0.26 0.00 -1.51 0.00 0.00 72.50 70.14 3hfj s THR 140 CO -0.04 -0.01 1.74 1.55 -2.21 0.00 0.00 174.62 175.64 3hfj h PRO 141 N 4.18 0.00 -6.49 7.08 0.13 -1.98 -3.45 132.00 131.47 3hfj h PRO 141 Ca -0.28 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.32 3hfj h PRO 141 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3hfj h PRO 141 CO 0.22 0.00 -0.05 0.71 -0.23 0.00 0.00 178.00 178.65 3hfj s TYR 142 N -3.43 3.46 -0.27 1.56 4.12 -1.26 -5.03 117.35 116.50 3hfj s TYR 142 Ca 0.02 1.02 -0.29 0.00 0.02 0.00 0.00 57.07 57.83 3hfj s TYR 142 Cb 0.08 -2.36 -0.01 0.00 -1.52 0.00 0.00 41.96 38.15 3hfj s TYR 142 CO 0.35 0.26 1.42 -1.25 0.02 0.00 0.00 175.55 176.36 3hfj s PRO 143 N -2.65 3.87 0.14 -1.71 0.04 -1.26 -4.99 135.00 128.44 3hfj s PRO 143 Ca 0.47 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.98 3hfj s PRO 143 Cb -0.12 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 3hfj s PRO 143 CO 0.20 -1.18 -0.13 0.96 0.04 0.00 0.00 177.00 176.89 3hfj s ILE 144 N 4.68 1.29 0.03 0.56 -4.36 -1.26 -4.64 121.20 117.50 3hfj s ILE 144 Ca 0.62 -1.85 -0.13 0.00 -0.26 0.00 0.00 60.65 59.03 3hfj s ILE 144 Cb -0.20 -1.65 -0.06 0.00 1.25 0.00 0.00 42.46 41.80 3hfj s ILE 144 CO 0.25 -0.54 0.41 -0.89 0.24 0.00 0.00 174.94 174.41 3hfj s THR 145 N -2.57 5.05 -0.13 8.37 2.01 -0.28 -4.97 115.64 123.11 3hfj s THR 145 Ca 0.12 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.81 3hfj s THR 145 Cb -0.02 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3hfj s THR 145 CO 0.02 0.47 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.44 3hfj s THR 146 N -1.20 3.38 -0.09 -0.82 2.01 -1.26 -0.24 115.64 117.42 3hfj s THR 146 Ca 0.27 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.76 3hfj s THR 146 Cb -0.16 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 3hfj s THR 146 CO 0.15 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.70 3hfj s VAL 147 N 0.28 2.41 -0.09 3.82 1.01 -0.40 -4.95 120.40 122.48 3hfj s VAL 147 Ca -0.07 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3hfj s VAL 147 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hfj s VAL 147 CO 0.04 0.55 0.78 -1.61 0.00 0.00 0.00 175.10 174.87 3hfj s GLU 148 N 0.14 4.41 -0.05 2.72 2.02 -1.26 -1.21 118.70 125.48 3hfj s GLU 148 Ca -0.11 0.99 -0.02 0.00 0.02 0.00 0.00 54.97 55.85 3hfj s GLU 148 Cb -0.16 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.62 3hfj s GLU 148 CO 0.06 -0.06 0.11 0.42 0.02 0.00 0.00 175.26 175.81 3hfj s ILE 149 N 1.21 -0.04 0.54 -1.63 1.01 0.13 -4.89 121.20 117.52 3hfj s ILE 149 Ca 0.40 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 3hfj s ILE 149 Cb -0.18 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 3hfj s ILE 149 CO 0.18 0.06 1.26 -2.65 0.00 0.00 0.00 174.94 173.79 3hfj n PRO 150 N 3.93 1.56 -2.62 2.79 -0.02 -1.26 -3.86 135.00 135.52 3hfj n PRO 150 Ca -0.23 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3hfj n PRO 150 Cb 0.53 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3hfj n PRO 150 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hfj s GLU 151 N -2.74 3.44 0.03 -0.52 2.12 -1.26 -4.89 118.70 114.88 3hfj s GLU 151 Ca 0.71 0.09 0.25 0.00 0.36 0.00 0.00 54.97 56.38 3hfj s GLU 151 Cb -0.44 -4.05 0.50 0.00 0.26 0.00 0.00 34.13 30.41 3hfj s GLU 151 CO 0.50 -1.72 1.41 1.19 -0.54 0.00 0.00 175.26 176.11 3hfj n PHE 152 N 8.40 0.16 0.00 5.30 3.72 -1.26 -4.96 117.46 128.82 3hfj n PHE 152 Ca 0.07 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3hfj n PHE 152 Cb 0.49 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3hfj n PHE 152 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hfj n ALA 153 N -1.60 0.00 -1.83 4.37 0.00 -1.26 -4.95 120.51 115.23 3hfj n ALA 153 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 3hfj n ALA 153 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.09 2.34 0.04 0.00 0.11 -1.26 -5.00 120.40 115.53 3hfj s VAL 154 Ca 0.00 0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 3hfj s VAL 154 Cb 0.00 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 3hfj s VAL 154 CO 0.00 0.02 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.81 3hfj s SER 155 N 1.12 0.48 0.38 3.54 1.04 -1.26 -4.72 113.70 114.28 3hfj s SER 155 Ca 0.72 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 56.45 3hfj s SER 155 Cb -0.47 0.13 0.76 0.00 0.10 0.00 0.00 66.02 66.55 3hfj s SER 155 CO 0.32 -0.43 2.04 0.28 0.98 0.00 0.00 173.24 176.43 3hfj h SER 156 N 3.88 0.58 0.43 7.02 0.02 -1.91 -2.26 113.55 121.31 3hfj h SER 156 Ca -0.33 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.49 3hfj h SER 156 Cb 1.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3hfj h SER 156 CO 0.53 0.42 -0.49 0.77 -1.14 0.00 0.00 176.83 176.93 3hfj h SER 157 N 0.69 0.08 0.16 3.07 4.64 -1.95 -1.30 113.55 118.93 3hfj h SER 157 Ca 0.19 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3hfj h SER 157 Cb -0.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hfj h SER 157 CO -0.04 0.56 -0.07 0.25 -0.87 0.00 0.00 176.83 176.65 3hfj h LEU 158 N 0.06 -0.18 -1.35 5.97 5.85 -1.82 -3.04 115.31 120.80 3hfj h LEU 158 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hfj h LEU 158 Cb 0.89 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3hfj h LEU 158 CO 0.07 0.08 0.26 -0.07 -0.34 0.00 0.00 178.44 178.44 3hfj h LEU 159 N -0.44 0.63 -0.27 2.25 3.38 -1.22 -2.05 115.31 117.59 3hfj h LEU 159 Ca -0.02 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hfj h LEU 159 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hfj h LEU 159 CO 0.04 0.53 -0.14 0.03 0.09 0.00 0.00 178.44 178.98 3hfj h ARG 160 N 0.71 0.57 -0.77 1.13 3.08 -1.29 -0.44 114.38 117.37 3hfj h ARG 160 Ca 0.18 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hfj h ARG 160 Cb 0.05 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3hfj h ARG 160 CO -0.03 0.82 0.50 1.49 -1.07 0.00 0.00 179.97 181.69 3hfj h GLU 161 N 0.31 0.99 -0.41 0.04 4.57 -1.39 0.09 114.58 118.77 3hfj h GLU 161 Ca 0.06 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3hfj h GLU 161 Cb 0.65 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 3hfj h GLU 161 CO 0.04 0.65 0.19 0.00 -1.18 0.00 0.00 179.01 178.72 3hfj h ARG 162 N 1.02 0.38 -0.39 1.92 3.08 -1.16 -0.41 114.38 118.81 3hfj h ARG 162 Ca 0.29 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 3hfj h ARG 162 Cb -0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3hfj h ARG 162 CO -0.07 0.25 -0.07 1.88 -1.07 0.00 0.00 179.97 180.89 3hfj h TYR 163 N 0.39 0.71 -0.73 3.04 -1.99 -0.66 0.32 116.97 118.05 3hfj h TYR 163 Ca 0.18 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 3hfj h TYR 163 Cb 0.10 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 3hfj h TYR 163 CO -0.11 0.71 0.22 -0.22 -0.00 0.00 0.00 178.16 178.76 3hfj h LYS 164 N 0.61 1.14 0.00 4.88 3.64 -0.25 -2.13 116.57 124.46 3hfj h LYS 164 Ca 0.12 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3hfj h LYS 164 Cb 0.48 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3hfj h LYS 164 CO 0.03 0.97 0.00 0.39 -2.27 0.00 0.00 179.45 178.57 3hfj n GLU 165 N -4.25 0.94 -2.31 1.90 1.02 -0.20 -4.89 120.64 112.86 3hfj n GLU 165 Ca 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 3hfj n GLU 165 Cb 0.23 -1.18 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.68 -1.31 -2.92 3.49 4.76 -0.80 -5.03 118.16 115.67 3hfj n LYS 166 Ca 0.08 0.71 -0.24 0.00 -2.87 0.00 0.00 58.31 55.99 3hfj n LYS 166 Cb 0.04 -5.04 0.01 0.00 -1.84 0.00 0.00 35.03 28.20 3hfj n LYS 166 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hfj s LYS 167 N -4.77 3.14 0.46 1.97 1.02 0.05 -5.01 119.74 116.60 3hfj s LYS 167 Ca 0.01 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.57 3hfj s LYS 167 Cb -0.01 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3hfj s LYS 167 CO 0.01 -0.27 0.80 -0.08 -0.92 0.00 0.00 175.35 174.90 3hfj s THR 168 N -2.60 4.83 -0.20 2.17 -1.32 -1.26 -4.32 115.64 112.93 3hfj s THR 168 Ca 0.48 0.47 0.13 0.00 -1.21 0.00 0.00 61.69 61.57 3hfj s THR 168 Cb -0.10 -3.80 0.42 0.00 -1.51 0.00 0.00 72.50 67.50 3hfj s THR 168 CO 0.39 -0.72 1.28 0.00 -2.21 0.00 0.00 174.62 173.36 3hfj n LYS 170 N -1.14 1.02 -0.90 0.00 4.81 -1.26 -1.80 118.16 118.89 3hfj n LYS 170 Ca 0.22 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3hfj n LYS 170 Cb 0.78 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 34.09 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 -0.33 0.00 0.01 5.64 4.01 -1.26 -4.81 117.16 120.41 3hfj n TYR 171 Ca 0.11 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.87 3hfj n TYR 171 Cb 0.36 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.01 -3.72 7.72 4.77 -0.74 -5.03 117.00 120.02 3hfj n LEU 172 Ca 0.00 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3hfj n LEU 172 Cb 0.04 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3hfj n LEU 172 CO 0.00 0.00 0.22 -1.48 -1.33 0.00 0.00 177.39 174.80 3hfj s LEU 173 N -3.26 0.22 0.38 2.23 2.34 -1.24 -1.70 118.68 117.65 3hfj s LEU 173 Ca -0.02 -0.45 -0.26 0.00 0.06 0.00 0.00 54.13 53.47 3hfj s LEU 173 Cb 0.03 1.99 -0.12 0.00 -0.56 0.00 0.00 46.19 47.54 3hfj s LEU 173 CO 0.19 -0.98 1.07 -2.65 -1.06 0.00 0.00 176.35 172.93 3hfj n PRO 174 N -0.30 1.52 -0.19 1.48 -0.02 -1.26 -4.84 135.00 131.40 3hfj n PRO 174 Ca -0.12 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3hfj n PRO 174 Cb 0.63 -2.07 0.08 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.84 0.11 -0.80 -0.52 4.57 -1.96 -1.55 114.58 116.26 3hfj h GLU 175 Ca -0.44 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.85 3hfj h GLU 175 Cb 1.33 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.84 3hfj h GLU 175 CO 0.59 0.07 0.52 0.87 -1.18 0.00 0.00 179.01 179.88 3hfj h LYS 176 N 0.11 0.64 -0.12 1.92 1.57 -1.91 -1.96 116.57 116.83 3hfj h LYS 176 Ca 0.29 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3hfj h LYS 176 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3hfj h LYS 176 CO -0.49 0.42 -0.36 0.28 -0.57 0.00 0.00 179.45 178.74 3hfj h VAL 177 N 0.66 1.37 -0.65 0.50 2.07 -1.61 -2.43 116.25 116.16 3hfj h VAL 177 Ca 0.38 -1.66 0.09 0.00 0.82 0.00 0.00 66.70 66.32 3hfj h VAL 177 Cb 0.56 2.11 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 3hfj h VAL 177 CO -0.15 0.49 0.30 -0.61 0.02 0.00 0.00 177.57 177.63 3hfj h GLN 178 N 0.05 0.51 -0.17 1.57 5.75 -1.14 0.67 115.11 122.35 3hfj h GLN 178 Ca -0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3hfj h GLN 178 Cb 0.98 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3hfj h GLN 178 CO 0.08 0.34 0.11 0.28 -2.65 0.00 0.00 178.83 176.99 3hfj h VAL 179 N 0.53 1.04 -0.55 2.39 2.07 -1.33 -0.85 116.25 119.54 3hfj h VAL 179 Ca 0.32 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 3hfj h VAL 179 Cb 0.34 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hfj h VAL 179 CO -0.26 0.04 0.29 0.22 0.02 0.00 0.00 177.57 177.88 3hfj h TYR 180 N 0.23 0.77 -0.23 1.57 3.20 -0.96 0.97 116.97 122.52 3hfj h TYR 180 Ca 0.06 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3hfj h TYR 180 Cb -0.02 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hfj h TYR 180 CO -0.07 0.57 0.06 0.82 -1.64 0.00 0.00 178.16 177.90 3hfj h ILE 181 N 0.74 0.91 -0.22 1.81 2.04 -0.61 -1.41 117.51 120.77 3hfj h ILE 181 Ca 0.19 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 3hfj h ILE 181 Cb 0.07 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hfj h ILE 181 CO -0.03 0.03 -0.15 -0.33 0.00 0.00 0.00 178.15 177.67 3hfj h GLU 182 N 0.15 0.50 -0.45 2.37 4.39 -0.78 -1.01 114.58 119.75 3hfj h GLU 182 Ca 0.10 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3hfj h GLU 182 Cb 0.09 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3hfj h GLU 182 CO -0.13 0.80 0.15 -0.09 -1.16 0.00 0.00 179.01 178.59 3hfj h ARG 183 N 0.20 0.66 -0.02 2.33 2.43 -0.80 -2.87 114.38 116.30 3hfj h ARG 183 Ca 0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hfj h ARG 183 Cb 0.68 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3hfj h ARG 183 CO 0.04 0.57 -0.01 0.09 -1.51 0.00 0.00 179.97 179.15 3hfj n ASN 184 N -4.34 2.45 -2.26 -3.80 4.13 -0.53 -4.97 115.26 105.93 3hfj n ASN 184 Ca 0.03 -1.81 -0.16 0.00 1.68 0.00 0.00 54.58 54.32 3hfj n ASN 184 Cb 0.17 0.01 0.03 0.00 -1.54 0.00 0.00 39.78 38.45 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 1.29 -0.19 3.82 7.41 0.00 -0.45 -4.99 105.19 112.07 3hfj n GLY 185 Ca 0.16 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.00 3.66 -1.60 0.99 1.43 -0.79 -4.18 118.68 113.19 3hfj s LEU 186 Ca 0.23 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 3hfj s LEU 186 Cb -0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.59 3hfj s LEU 186 CO 0.28 -0.82 0.34 -1.22 0.23 0.00 0.00 176.35 175.16 3hfj n TYR 187 N -1.51 -1.50 0.27 0.29 4.01 -1.26 -4.87 117.16 112.59 3hfj n TYR 187 Ca 0.08 0.29 0.12 0.00 -0.16 0.00 0.00 57.90 58.23 3hfj n TYR 187 Cb 0.53 -4.18 0.25 0.00 -0.31 0.00 0.00 39.34 35.63 3hfj n TYR 187 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3hfj n GLU 188 N -3.50 2.48 0.00 -0.72 1.02 -1.26 -1.88 120.64 116.78 3hfj n GLU 188 Ca -0.17 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 3hfj n GLU 188 Cb 0.65 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3hfj n GLU 188 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74