#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfy s GLN 2 N 0.00 2.79 0.58 5.31 -0.21 -1.26 -1.49 119.66 125.38 1hfy s GLN 2 Ca 0.00 -1.25 -0.08 0.00 0.02 0.00 0.00 55.36 54.05 1hfy s GLN 2 Cb 0.00 -3.84 -0.02 0.00 1.00 0.00 0.00 33.01 30.15 1hfy s GLN 2 CO 0.00 -0.85 0.92 -0.51 -2.12 0.00 0.00 175.29 172.73 1hfy s LEU 3 N 1.54 3.32 0.54 2.90 1.02 -0.39 -5.00 118.68 122.61 1hfy s LEU 3 Ca 0.03 1.00 0.04 0.00 0.02 0.00 0.00 54.13 55.23 1hfy s LEU 3 Cb -0.21 -3.92 0.05 0.00 0.02 0.00 0.00 46.19 42.13 1hfy s LEU 3 CO 0.05 -0.90 0.75 0.42 0.02 0.00 0.00 176.35 176.70 1hfy s THR 4 N -3.00 2.60 0.17 5.49 -4.23 -1.26 -4.78 115.64 110.63 1hfy s THR 4 Ca 0.53 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 60.07 1hfy s THR 4 Cb -0.11 -2.79 0.09 0.00 1.34 0.00 0.00 72.50 71.04 1hfy s THR 4 CO 0.48 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.75 1hfy h LYS 5 N 0.16 0.10 0.00 3.99 3.64 -1.98 -1.86 116.57 120.63 1hfy h LYS 5 Ca -0.38 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1hfy h LYS 5 Cb 1.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1hfy h LYS 5 CO 0.46 0.07 -0.38 0.00 -2.27 0.00 0.00 179.45 177.33 1hfy h GLU 7 N 0.00 0.51 -0.41 0.00 5.08 -1.74 -2.85 114.58 115.17 1hfy h GLU 7 Ca -0.00 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1hfy h GLU 7 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1hfy h GLU 7 CO 0.05 0.86 -0.10 -0.24 -1.00 0.00 0.00 179.01 178.58 1hfy h VAL 8 N 0.18 1.25 -0.47 3.13 3.04 -1.25 -1.49 116.25 120.65 1hfy h VAL 8 Ca 0.03 -1.12 0.06 0.00 -1.01 0.00 0.00 66.70 64.67 1hfy h VAL 8 Cb 0.77 1.04 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 1hfy h VAL 8 CO 0.05 0.38 0.16 0.15 -1.01 0.00 0.00 177.57 177.30 1hfy h PHE 9 N 0.66 0.27 -0.24 3.17 3.57 -1.18 -1.79 116.94 121.40 1hfy h PHE 9 Ca 0.12 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 1hfy h PHE 9 Cb 0.55 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1hfy h PHE 9 CO 0.03 0.09 -0.50 1.96 -2.23 0.00 0.00 178.31 177.65 1hfy h GLN 10 N 0.32 0.77 -0.01 1.11 1.08 -1.26 -3.29 115.11 113.83 1hfy h GLN 10 Ca 0.22 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 1hfy h GLN 10 Cb 0.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1hfy h GLN 10 CO -0.23 1.13 -0.30 0.87 -0.95 0.00 0.00 178.83 179.34 1hfy h LYS 11 N 0.50 0.01 -0.63 1.46 1.57 -0.93 -3.00 116.57 115.56 1hfy h LYS 11 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hfy h LYS 11 Cb 1.11 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hfy h LYS 11 CO 0.11 0.31 0.00 1.28 -0.57 0.00 0.00 179.45 180.59 1hfy n LEU 12 N -4.18 5.04 -0.26 2.94 4.77 -0.70 -4.51 117.00 120.10 1hfy n LEU 12 Ca -0.02 -2.55 0.21 0.00 -0.03 0.00 0.00 56.01 53.62 1hfy n LEU 12 Cb 0.35 -0.63 0.53 0.00 -2.33 0.00 0.00 43.42 41.34 1hfy n LEU 12 CO 0.38 0.67 1.23 0.11 -1.33 0.00 0.00 177.39 178.45 1hfy h LYS 13 N 3.78 0.35 -0.16 3.23 1.79 -1.59 0.74 116.57 124.70 1hfy h LYS 13 Ca 0.00 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1hfy h LYS 13 Cb 1.68 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 1hfy h LYS 13 CO 0.36 0.23 0.19 -0.44 -1.08 0.00 0.00 179.45 178.72 1hfy h ASP 14 N 0.36 0.00 0.22 0.86 5.19 -1.86 -1.49 116.42 119.70 1hfy h ASP 14 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1hfy h ASP 14 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1hfy h ASP 14 CO -0.18 0.00 -0.50 0.18 -3.12 0.00 0.00 179.24 175.61 1hfy n LEU 15 N -3.76 1.07 -4.48 1.55 4.77 0.25 -4.91 117.00 111.50 1hfy n LEU 15 Ca 0.01 -0.33 -0.54 0.00 -0.03 0.00 0.00 56.01 55.12 1hfy n LEU 15 Cb 0.31 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1hfy n LEU 15 CO 0.27 0.22 1.67 1.17 -1.33 0.00 0.00 177.39 179.39 1hfy n LYS 16 N -0.92 0.92 -0.95 3.23 4.81 -0.56 -1.26 118.16 123.43 1hfy n LYS 16 Ca 0.08 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1hfy n LYS 16 Cb 0.37 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1hfy n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1hfy n ASP 17 N 8.32 -1.48 -4.71 3.14 8.00 -0.02 -4.94 116.55 124.85 1hfy n ASP 17 Ca 0.40 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 1hfy n ASP 17 Cb 0.16 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1hfy n ASP 17 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1hfy s TYR 18 N -2.79 3.08 -0.36 1.24 6.14 -0.39 -0.71 117.35 123.57 1hfy s TYR 18 Ca 0.00 0.73 0.00 0.00 0.64 0.00 0.00 57.07 58.44 1hfy s TYR 18 Cb 0.00 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.55 1hfy s TYR 18 CO 0.00 -3.05 0.00 0.41 0.64 0.00 0.00 175.55 173.55 1hfy n GLY 19 N 3.67 0.43 1.41 8.97 0.00 -1.26 -1.65 105.19 116.77 1hfy n GLY 19 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1hfy n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfy n GLY 20 N -0.15 1.06 3.61 -0.02 0.00 0.11 -5.02 105.19 104.78 1hfy n GLY 20 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1hfy n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfy s VAL 21 N -2.72 4.63 0.91 1.61 1.01 -0.66 -4.84 120.40 120.34 1hfy s VAL 21 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1hfy s VAL 21 Cb 0.00 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.22 1hfy s VAL 21 CO 0.00 -0.46 1.10 -0.94 0.00 0.00 0.00 175.10 174.80 1hfy s SER 22 N 1.79 3.15 0.08 3.32 1.04 -1.26 -0.84 113.70 120.98 1hfy s SER 22 Ca 0.38 1.83 -0.22 0.00 0.48 0.00 0.00 55.95 58.41 1hfy s SER 22 Cb -0.12 -2.42 -0.13 0.00 0.10 0.00 0.00 66.02 63.45 1hfy s SER 22 CO 0.17 -2.89 1.67 0.25 0.98 0.00 0.00 173.24 173.42 1hfy h LEU 23 N -1.72 0.10 -2.21 2.42 5.85 -1.92 -2.38 115.31 115.45 1hfy h LEU 23 Ca -0.47 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.20 1hfy h LEU 23 Cb 1.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1hfy h LEU 23 CO 0.48 0.16 0.15 1.55 -0.34 0.00 0.00 178.44 180.45 1hfy h PRO 24 N 0.03 0.00 0.00 5.25 0.13 -1.88 0.59 132.00 136.12 1hfy h PRO 24 Ca 0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 1hfy h PRO 24 Cb 0.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 1hfy h PRO 24 CO -0.00 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.13 1hfy h GLU 25 N 0.00 0.00 -0.07 0.86 5.08 -1.74 -1.80 114.58 116.91 1hfy h GLU 25 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 1hfy h GLU 25 Cb 0.38 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1hfy h GLU 25 CO -0.00 0.57 -0.92 -1.49 -1.00 0.00 0.00 179.01 176.16 1hfy h TRP 26 N 0.00 1.02 -0.66 4.33 4.06 -0.63 -2.64 115.95 121.44 1hfy h TRP 26 Ca -0.01 -0.51 -0.07 0.00 2.06 0.00 0.00 58.89 60.37 1hfy h TRP 26 Cb 1.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 1hfy h TRP 26 CO 0.00 1.34 0.15 0.28 -3.56 0.00 0.00 178.44 176.65 1hfy h VAL 27 N 0.44 1.25 -0.44 1.49 2.07 -1.35 -0.37 116.25 119.35 1hfy h VAL 27 Ca -0.09 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1hfy h VAL 27 Cb 1.56 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1hfy h VAL 27 CO 0.18 0.36 0.07 0.00 0.02 0.00 0.00 177.57 178.20 1hfy h THR 29 N 0.59 1.25 -0.43 0.00 2.02 -1.19 -2.22 112.91 112.94 1hfy h THR 29 Ca 0.13 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1hfy h THR 29 Cb 0.38 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1hfy h THR 29 CO 0.01 0.34 -0.22 0.00 0.37 0.00 0.00 175.52 176.02 1hfy h ALA 30 N 1.11 0.81 0.38 6.16 0.00 -0.95 -1.92 119.26 124.85 1hfy h ALA 30 Ca 0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1hfy h ALA 30 Cb 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1hfy h ALA 30 CO -0.01 0.65 -0.21 0.35 0.00 0.00 0.00 179.25 180.03 1hfy h PHE 31 N 0.75 -0.54 0.00 0.00 3.57 -1.13 -0.94 116.94 118.65 1hfy h PHE 31 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1hfy h PHE 31 Cb 0.75 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1hfy h PHE 31 CO 0.04 -0.33 -0.01 0.45 -2.23 0.00 0.00 178.31 176.24 1hfy h HIS 32 N -0.55 0.00 0.00 0.41 3.86 -1.36 -0.60 115.15 116.91 1hfy h HIS 32 Ca -0.05 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.90 1hfy h HIS 32 Cb 0.43 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1hfy h HIS 32 CO -0.07 0.01 -1.48 2.41 0.86 0.00 0.00 177.93 179.66 1hfy n THR 33 N -3.11 1.52 -0.42 2.45 -1.04 -0.73 -4.77 114.28 108.19 1hfy n THR 33 Ca -0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1hfy n THR 33 Cb 0.26 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 1hfy n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1hfy n SER 34 N -4.41 0.56 -1.28 8.00 3.41 -0.40 -4.88 113.62 114.62 1hfy n SER 34 Ca -0.35 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.14 1hfy n SER 34 Cb 0.69 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 1hfy n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hfy n GLY 35 N 0.01 0.50 2.23 5.00 0.00 -0.23 -2.75 105.19 109.96 1hfy n GLY 35 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1hfy n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hfy n TYR 36 N -3.41 -0.13 -3.65 1.61 4.01 -1.21 -4.86 117.16 109.52 1hfy n TYR 36 Ca -0.15 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 1hfy n TYR 36 Cb 0.54 -1.94 -0.12 0.00 -0.31 0.00 0.00 39.34 37.51 1hfy n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1hfy s ASP 37 N -2.81 5.62 0.14 7.72 2.15 -1.11 -1.26 116.67 127.11 1hfy s ASP 37 Ca 0.00 -0.23 0.22 0.00 0.43 0.00 0.00 52.55 52.97 1hfy s ASP 37 Cb 0.00 -2.03 0.87 0.00 -0.30 0.00 0.00 42.92 41.46 1hfy s ASP 37 CO 0.00 -0.09 1.67 0.35 -0.17 0.00 0.00 175.17 176.92 1hfy n THR 38 N 5.00 0.75 -0.24 1.71 -2.24 -0.56 -3.00 114.28 115.70 1hfy n THR 38 Ca -0.15 0.13 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1hfy n THR 38 Cb 0.51 -0.94 0.19 0.00 -2.10 0.00 0.00 70.33 67.98 1hfy n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfy n GLN 39 N -1.91 2.87 -1.94 -0.78 6.02 -1.26 -4.13 117.38 116.24 1hfy n GLN 39 Ca 0.04 -2.18 -0.41 0.00 -0.01 0.00 0.00 57.00 54.43 1hfy n GLN 39 Cb 0.25 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 1hfy n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hfy s ALA 40 N -1.07 3.57 -0.03 -1.58 0.00 -1.16 -4.74 121.76 116.74 1hfy s ALA 40 Ca 0.28 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.66 1hfy s ALA 40 Cb 0.15 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1hfy s ALA 40 CO 0.18 -0.86 0.05 0.42 0.00 0.00 0.00 175.76 175.55 1hfy s ILE 41 N -0.89 -0.07 -0.08 0.00 1.01 -1.26 0.14 121.20 120.06 1hfy s ILE 41 Ca 0.53 0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1hfy s ILE 41 Cb -0.43 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 41.90 1hfy s ILE 41 CO 0.56 0.15 -0.16 -0.69 0.00 0.00 0.00 174.94 174.79 1hfy s VAL 42 N 1.73 1.46 -0.03 2.92 1.01 -0.43 -4.95 120.40 122.09 1hfy s VAL 42 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1hfy s VAL 42 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1hfy s VAL 42 CO -0.03 0.43 0.04 -1.10 0.00 0.00 0.00 175.10 174.43 1hfy s GLN 43 N 0.53 2.97 0.48 2.72 -0.21 -1.26 -1.11 119.66 123.78 1hfy s GLN 43 Ca -0.16 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 54.77 1hfy s GLN 43 Cb -0.16 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 1hfy s GLN 43 CO 0.05 0.66 0.02 -0.80 -2.12 0.00 0.00 175.29 173.10 1hfy s ASN 44 N -1.39 3.95 0.22 5.90 0.02 0.08 -5.02 114.94 118.69 1hfy s ASN 44 Ca 0.19 -1.61 0.03 0.00 -1.02 0.00 0.00 52.86 50.45 1hfy s ASN 44 Cb -0.12 0.37 0.20 0.00 0.02 0.00 0.00 41.25 41.72 1hfy s ASN 44 CO 0.09 -0.79 1.53 0.78 0.02 0.00 0.00 177.10 178.72 1hfy h ASN 45 N 1.47 0.30 0.59 -1.22 2.35 -2.05 -3.31 115.58 113.70 1hfy h ASN 45 Ca -0.43 -0.18 -0.28 0.00 -0.55 0.00 0.00 56.30 54.86 1hfy h ASN 45 Cb 1.30 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1hfy h ASN 45 CO 0.74 0.86 -1.37 0.44 -1.65 0.00 0.00 177.43 176.45 1hfy h ASP 46 N 0.19 0.34 -5.20 5.81 5.19 -2.02 -3.49 116.42 117.23 1hfy h ASP 46 Ca -0.01 -0.42 0.09 0.00 -0.62 0.00 0.00 57.03 56.07 1hfy h ASP 46 Cb 1.17 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.54 1hfy h ASP 46 CO 0.10 1.34 0.41 -0.94 -3.12 0.00 0.00 179.24 177.03 1hfy s SER 47 N -6.97 -0.06 0.10 6.45 1.04 -1.25 -4.94 113.70 108.07 1hfy s SER 47 Ca -0.06 -0.78 0.09 0.00 0.48 0.00 0.00 55.95 55.69 1hfy s SER 47 Cb 0.07 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1hfy s SER 47 CO 0.86 -1.27 -0.21 -0.89 0.98 0.00 0.00 173.24 172.71 1hfy s THR 48 N -2.66 2.60 -0.07 2.02 2.01 -1.26 -0.74 115.64 117.54 1hfy s THR 48 Ca 0.16 -1.51 0.05 0.00 0.31 0.00 0.00 61.69 60.70 1hfy s THR 48 Cb -0.04 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1hfy s THR 48 CO 0.07 0.17 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.33 1hfy s GLU 49 N -1.90 2.47 0.07 4.92 2.02 -0.27 -1.69 118.70 124.32 1hfy s GLU 49 Ca 0.16 -0.81 0.08 0.00 0.02 0.00 0.00 54.97 54.42 1hfy s GLU 49 Cb -0.10 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1hfy s GLU 49 CO 0.07 0.28 -0.19 0.71 0.02 0.00 0.00 175.26 176.15 1hfy s TYR 50 N 0.06 2.51 0.00 1.61 1.51 -0.42 -1.32 117.35 121.30 1hfy s TYR 50 Ca -0.08 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1hfy s TYR 50 Cb -0.15 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1hfy s TYR 50 CO 0.05 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.18 1hfy n GLY 51 N 1.31 0.13 0.30 0.71 0.00 0.12 -1.20 105.19 106.55 1hfy n GLY 51 Ca -0.16 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.09 1hfy n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hfy h LEU 52 N 0.00 0.23 -2.30 0.99 5.85 -1.71 -0.75 115.31 117.61 1hfy h LEU 52 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1hfy h LEU 52 Cb 0.00 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1hfy h LEU 52 CO 0.00 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 1hfy n PHE 53 N -5.07 0.83 -3.87 1.25 3.72 -1.26 -4.03 117.46 109.02 1hfy n PHE 53 Ca 0.19 -0.41 -0.33 0.00 -0.05 0.00 0.00 57.45 56.84 1hfy n PHE 53 Cb 0.56 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.11 1hfy n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hfy n GLN 54 N 1.34 -0.85 -2.93 -1.08 1.13 -0.29 -4.87 117.38 109.83 1hfy n GLN 54 Ca 0.21 0.34 -0.41 0.00 -1.94 0.00 0.00 57.00 55.20 1hfy n GLN 54 Cb 0.53 -2.05 -0.04 0.00 0.11 0.00 0.00 30.24 28.78 1hfy n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hfy s ILE 55 N -3.27 4.91 0.33 5.09 1.01 -0.34 -4.48 121.20 124.44 1hfy s ILE 55 Ca 0.22 1.55 -0.23 0.00 0.00 0.00 0.00 60.65 62.20 1hfy s ILE 55 Cb -0.12 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 1hfy s ILE 55 CO 0.85 0.05 0.89 0.54 0.00 0.00 0.00 174.94 177.27 1hfy s ASN 56 N 1.15 7.14 -0.12 3.58 2.20 -1.26 -1.31 114.94 126.32 1hfy s ASN 56 Ca 0.37 1.68 0.04 0.00 -0.94 0.00 0.00 52.86 54.00 1hfy s ASN 56 Cb -0.16 -2.52 0.29 0.00 -2.00 0.00 0.00 41.25 36.85 1hfy s ASN 56 CO 0.12 -0.14 1.10 -0.46 -2.94 0.00 0.00 177.10 174.79 1hfy n ASN 57 N 0.19 2.96 -0.06 3.54 6.94 -0.68 -2.19 115.26 125.96 1hfy n ASN 57 Ca 0.03 -2.44 -0.06 0.00 -0.02 0.00 0.00 54.58 52.09 1hfy n ASN 57 Cb 0.52 -0.59 -0.09 0.00 -2.36 0.00 0.00 39.78 37.25 1hfy n ASN 57 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1hfy n LYS 58 N 0.11 1.98 0.00 -3.83 4.81 -1.26 -4.60 118.16 115.37 1hfy n LYS 58 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1hfy n LYS 58 Cb 0.73 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1hfy n LYS 58 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1hfy n ILE 59 N -2.47 0.00 -0.08 3.15 2.08 -1.24 -3.06 119.36 117.74 1hfy n ILE 59 Ca -0.20 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.01 1hfy n ILE 59 Cb 0.88 -0.18 -0.09 0.00 -0.75 0.00 0.00 39.64 39.50 1hfy n ILE 59 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1hfy n TRP 60 N -0.83 0.00 -4.30 1.39 7.02 -0.93 -1.21 117.44 118.57 1hfy n TRP 60 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1hfy n TRP 60 Cb 0.11 -0.68 -0.10 0.00 -2.42 0.00 0.00 31.31 28.22 1hfy n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hfy s LYS 62 N -4.04 1.87 0.29 0.00 2.20 -0.06 -4.32 119.74 115.68 1hfy s LYS 62 Ca 0.38 -0.99 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 1hfy s LYS 62 Cb 0.08 -1.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.46 1hfy s LYS 62 CO 0.14 0.51 0.30 -0.40 -0.36 0.00 0.00 175.35 175.53 1hfy n ASP 63 N 2.10 -0.77 0.16 1.43 5.75 -1.22 -1.39 116.55 122.62 1hfy n ASP 63 Ca -0.16 -2.85 0.04 0.00 -0.01 0.00 0.00 54.79 51.81 1hfy n ASP 63 Cb 0.52 1.67 0.47 0.00 -1.03 0.00 0.00 41.12 42.74 1hfy n ASP 63 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1hfy h ASP 64 N 1.77 0.15 -0.21 -1.12 3.32 -2.00 -3.12 116.42 115.21 1hfy h ASP 64 Ca -0.21 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 1hfy h ASP 64 Cb 1.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1hfy h ASP 64 CO 0.30 0.26 -0.12 -0.61 -1.72 0.00 0.00 179.24 177.35 1hfy h GLN 65 N 0.16 0.44 -3.59 3.56 4.15 -1.98 -3.42 115.11 114.44 1hfy h GLN 65 Ca 0.04 -0.20 -0.51 0.00 0.77 0.00 0.00 58.65 58.75 1hfy h GLN 65 Cb 0.25 -0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.53 1hfy h GLN 65 CO 0.01 0.74 -0.77 1.21 -1.93 0.00 0.00 178.83 178.10 1hfy s ASN 66 N -6.14 2.72 0.12 -0.69 2.47 -1.18 -4.97 114.94 107.27 1hfy s ASN 66 Ca -0.14 -0.71 0.23 0.00 0.42 0.00 0.00 52.86 52.66 1hfy s ASN 66 Cb 0.07 -0.58 0.12 0.00 -1.45 0.00 0.00 41.25 39.40 1hfy s ASN 66 CO 0.76 -0.29 1.11 -0.81 -3.72 0.00 0.00 177.10 174.16 1hfy n PRO 67 N 5.06 0.41 -0.08 0.43 -0.04 -1.25 -3.38 135.00 136.16 1hfy n PRO 67 Ca -0.09 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1hfy n PRO 67 Cb 0.48 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.28 1hfy n PRO 67 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1hfy n HIS 68 N -2.27 0.19 -1.96 0.54 8.25 -1.26 -4.90 115.22 113.81 1hfy n HIS 68 Ca 0.01 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1hfy n HIS 68 Cb 0.48 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 1hfy n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1hfy s SER 69 N -0.70 6.58 0.61 0.41 0.15 -1.26 -4.86 113.70 114.63 1hfy s SER 69 Ca 0.07 2.81 0.38 0.00 0.70 0.00 0.00 55.95 59.91 1hfy s SER 69 Cb 0.04 -2.64 2.00 0.00 -1.71 0.00 0.00 66.02 63.71 1hfy s SER 69 CO 0.04 -0.72 2.24 -0.09 1.20 0.00 0.00 173.24 175.91 1hfy h ARG 70 N 3.94 0.00 -6.70 5.44 2.43 -1.72 -3.46 114.38 114.31 1hfy h ARG 70 Ca -0.48 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.15 1hfy h ARG 70 Cb 1.23 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.61 1hfy h ARG 70 CO 0.70 0.02 -0.85 -1.71 -1.51 0.00 0.00 179.97 176.62 1hfy n ASN 71 N -3.31 -2.33 -0.34 -3.80 5.15 -1.07 -4.85 115.26 104.70 1hfy n ASN 71 Ca -0.02 -1.02 0.24 0.00 -0.60 0.00 0.00 54.58 53.17 1hfy n ASN 71 Cb 0.14 -2.79 0.50 0.00 -0.53 0.00 0.00 39.78 37.10 1hfy n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hfy h ILE 72 N -1.61 0.45 -0.12 -1.44 2.04 -1.24 0.43 117.51 116.02 1hfy h ILE 72 Ca -0.60 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1hfy h ILE 72 Cb 1.38 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1hfy h ILE 72 CO 0.74 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.96 1hfy n ASN 74 N -0.11 -4.35 -3.57 0.00 5.15 0.15 -4.94 115.26 107.59 1hfy n ASN 74 Ca 0.12 -1.22 -0.09 0.00 -0.60 0.00 0.00 54.58 52.79 1hfy n ASN 74 Cb 0.19 -1.74 -0.02 0.00 -0.53 0.00 0.00 39.78 37.68 1hfy n ASN 74 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1hfy s ILE 75 N -3.41 0.00 0.08 -1.44 2.07 -1.26 -5.08 121.20 112.16 1hfy s ILE 75 Ca 0.39 -0.27 -0.28 0.00 -1.41 0.00 0.00 60.65 59.08 1hfy s ILE 75 Cb -0.21 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 40.99 1hfy s ILE 75 CO 0.95 0.00 0.88 -0.44 -1.91 0.00 0.00 174.94 174.43 1hfy s SER 76 N -2.73 7.37 0.54 4.50 0.01 -1.26 -0.88 113.70 121.26 1hfy s SER 76 Ca 0.06 1.64 0.24 0.00 1.31 0.00 0.00 55.95 59.20 1hfy s SER 76 Cb -0.02 -2.54 1.42 0.00 0.21 0.00 0.00 66.02 65.10 1hfy s SER 76 CO -0.06 -0.05 2.06 0.00 0.41 0.00 0.00 173.24 175.61 1hfy n ASP 78 N -4.28 0.00 0.10 0.00 5.75 -1.26 -1.37 116.55 115.49 1hfy n ASP 78 Ca 0.04 0.22 0.13 0.00 -0.01 0.00 0.00 54.79 55.17 1hfy n ASP 78 Cb 0.40 -0.35 0.37 0.00 -1.03 0.00 0.00 41.12 40.51 1hfy n ASP 78 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1hfy n LYS 79 N -1.35 0.28 -0.35 0.11 4.76 -0.65 -2.44 118.16 118.52 1hfy n LYS 79 Ca 0.05 0.21 0.05 0.00 -2.87 0.00 0.00 58.31 55.75 1hfy n LYS 79 Cb 0.11 -1.80 0.20 0.00 -1.84 0.00 0.00 35.03 31.70 1hfy n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1hfy n PHE 80 N -2.28 0.83 -0.67 2.13 3.72 -0.47 -4.05 117.46 116.68 1hfy n PHE 80 Ca 0.05 -0.33 0.06 0.00 -0.05 0.00 0.00 57.45 57.19 1hfy n PHE 80 Cb 0.44 -0.16 0.09 0.00 -0.94 0.00 0.00 39.48 38.90 1hfy n PHE 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hfy n LEU 81 N 0.50 2.21 0.00 4.37 4.77 -1.02 -3.36 117.00 124.47 1hfy n LEU 81 Ca 0.14 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 1hfy n LEU 81 Cb 0.55 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1hfy n LEU 81 CO 0.13 0.63 0.00 -0.90 -1.33 0.00 0.00 177.39 175.92 1hfy n ASP 82 N -1.09 1.23 -0.65 -1.43 5.68 -1.26 -4.66 116.55 114.38 1hfy n ASP 82 Ca 0.10 -0.83 0.13 0.00 -0.50 0.00 0.00 54.79 53.69 1hfy n ASP 82 Cb 0.50 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.86 1hfy n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1hfy n ASP 83 N -1.46 2.02 -4.51 -1.12 8.00 -1.26 -4.77 116.55 113.45 1hfy n ASP 83 Ca 0.00 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 1hfy n ASP 83 Cb 0.00 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 1hfy n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hfy s ASP 84 N -1.95 6.13 0.00 -2.24 2.15 -1.26 -4.96 116.67 114.54 1hfy s ASP 84 Ca 0.35 -0.54 0.25 0.00 0.43 0.00 0.00 52.55 53.04 1hfy s ASP 84 Cb 0.20 -2.17 1.02 0.00 -0.30 0.00 0.00 42.92 41.67 1hfy s ASP 84 CO 0.32 -0.37 1.72 0.18 -0.17 0.00 0.00 175.17 176.84 1hfy n LEU 85 N 5.27 1.37 -0.03 -1.34 4.77 -1.26 -4.41 117.00 121.37 1hfy n LEU 85 Ca -0.10 -0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 55.29 1hfy n LEU 85 Cb 0.48 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1hfy n LEU 85 CO 0.40 0.25 0.82 0.74 -1.33 0.00 0.00 177.39 178.27 1hfy h THR 86 N 2.02 0.76 0.00 -5.08 2.02 -1.93 -1.52 112.91 109.18 1hfy h THR 86 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1hfy h THR 86 Cb 0.43 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1hfy h THR 86 CO 0.00 0.00 -0.34 -2.24 0.37 0.00 0.00 175.52 173.31 1hfy h ASP 87 N -0.03 0.00 -0.41 4.18 3.04 -1.93 -2.80 116.42 118.47 1hfy h ASP 87 Ca 0.10 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.81 1hfy h ASP 87 Cb 0.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.45 1hfy h ASP 87 CO -0.21 0.34 -0.05 0.44 -2.04 0.00 0.00 179.24 177.72 1hfy h ASP 88 N 0.00 0.75 -0.38 4.15 5.19 -1.66 -2.52 116.42 121.95 1hfy h ASP 88 Ca -0.00 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.04 1hfy h ASP 88 Cb 0.94 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 1hfy h ASP 88 CO 0.04 0.91 0.10 0.40 -3.12 0.00 0.00 179.24 177.57 1hfy h ILE 89 N 0.58 1.22 -0.76 0.35 2.04 -1.23 0.27 117.51 119.98 1hfy h ILE 89 Ca 0.11 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1hfy h ILE 89 Cb 0.55 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1hfy h ILE 89 CO 0.03 0.26 0.44 0.58 0.00 0.00 0.00 178.15 179.46 1hfy h VAL 90 N 0.47 1.22 -0.02 1.67 2.07 -1.44 0.15 116.25 120.36 1hfy h VAL 90 Ca 0.12 -0.50 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 1hfy h VAL 90 Cb 0.29 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1hfy h VAL 90 CO -0.00 0.23 -0.81 0.00 0.02 0.00 0.00 177.57 177.01 1hfy h ALA 92 N 1.00 1.29 -0.47 0.00 0.00 0.93 -2.31 119.26 119.71 1hfy h ALA 92 Ca -0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1hfy h ALA 92 Cb 1.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1hfy h ALA 92 CO 0.13 0.37 -0.14 0.87 0.00 0.00 0.00 179.25 180.48 1hfy h LYS 93 N 0.00 0.92 -0.36 0.00 1.57 -0.92 -2.01 116.57 115.77 1hfy h LYS 93 Ca -0.00 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1hfy h LYS 93 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1hfy h LYS 93 CO 0.04 1.02 0.18 0.87 -0.57 0.00 0.00 179.45 180.99 1hfy h LYS 94 N 0.77 0.52 -0.73 3.15 1.57 -1.34 -0.02 116.57 120.49 1hfy h LYS 94 Ca 0.12 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1hfy h LYS 94 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1hfy h LYS 94 CO 0.05 0.45 0.47 0.82 -0.57 0.00 0.00 179.45 180.67 1hfy h ILE 95 N 0.45 1.15 -0.41 1.86 2.04 -1.34 -0.28 117.51 120.97 1hfy h ILE 95 Ca 0.13 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1hfy h ILE 95 Cb 0.10 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1hfy h ILE 95 CO -0.02 0.17 0.21 0.25 0.00 0.00 0.00 178.15 178.77 1hfy h LEU 96 N 0.94 0.53 -0.40 1.44 5.85 -0.96 0.19 115.31 122.90 1hfy h LEU 96 Ca 0.28 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1hfy h LEU 96 Cb -0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1hfy h LEU 96 CO -0.08 0.48 0.24 0.44 -0.34 0.00 0.00 178.44 179.18 1hfy h ASP 97 N 0.53 0.48 0.20 1.25 3.32 -0.51 -2.22 116.42 119.47 1hfy h ASP 97 Ca 0.14 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1hfy h ASP 97 Cb 0.08 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1hfy h ASP 97 CO -0.02 0.40 -0.10 0.11 -1.72 0.00 0.00 179.24 177.91 1hfy h LYS 98 N 0.53 -0.26 0.00 3.56 6.56 -0.84 -3.42 116.57 122.70 1hfy h LYS 98 Ca 0.14 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.73 1hfy h LYS 98 Cb 0.01 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1hfy h LYS 98 CO -0.03 0.05 -1.72 1.33 -2.06 0.00 0.00 179.45 177.02 1hfy n VAL 99 N -4.95 0.08 0.00 0.50 0.24 0.62 -5.09 118.33 109.74 1hfy n VAL 99 Ca -0.06 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1hfy n VAL 99 Cb 0.22 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 1hfy n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hfy n GLY 100 N 1.68 -0.55 0.30 7.63 0.00 -0.84 -4.35 105.19 109.05 1hfy n GLY 100 Ca -0.05 -1.76 0.17 0.00 0.00 0.00 0.00 46.02 44.38 1hfy n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hfy h ILE 101 N 0.00 0.00 0.00 -0.61 6.09 -1.88 -1.78 117.51 119.33 1hfy h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1hfy h ILE 101 Cb 0.00 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.02 1hfy h ILE 101 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1hfy n ASN 102 N -2.79 0.00 -0.12 2.19 4.13 -1.26 -0.61 115.26 116.81 1hfy n ASN 102 Ca -0.02 -0.19 -0.13 0.00 1.68 0.00 0.00 54.58 55.91 1hfy n ASN 102 Cb 0.22 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 1hfy n ASN 102 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1hfy h TYR 103 N 0.00 1.00 0.03 3.10 3.20 -1.57 -3.36 116.97 119.38 1hfy h TYR 103 Ca 0.00 -0.29 -0.38 0.00 3.14 0.00 0.00 58.73 61.21 1hfy h TYR 103 Cb 0.06 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 1hfy h TYR 103 CO 0.00 1.08 -2.29 0.91 -1.64 0.00 0.00 178.16 176.22 1hfy n TRP 104 N -4.17 0.41 -3.87 -3.82 8.01 -0.15 -4.94 117.44 108.91 1hfy n TRP 104 Ca -0.03 0.09 -0.36 0.00 -1.31 0.00 0.00 57.50 55.90 1hfy n TRP 104 Cb 0.49 -1.06 -0.13 0.00 -2.01 0.00 0.00 31.31 28.61 1hfy n TRP 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1hfy s LEU 105 N -6.52 3.20 0.24 -0.99 1.02 0.22 -4.95 118.68 110.90 1hfy s LEU 105 Ca -0.27 -0.28 -0.05 0.00 0.02 0.00 0.00 54.13 53.55 1hfy s LEU 105 Cb 0.08 -1.84 0.24 0.00 0.02 0.00 0.00 46.19 44.69 1hfy s LEU 105 CO 0.69 -0.01 1.79 0.00 0.02 0.00 0.00 176.35 178.83 1hfy h ALA 106 N 8.06 1.09 -3.37 4.21 0.00 -1.88 -3.36 119.26 124.01 1hfy h ALA 106 Ca -0.39 -0.21 -0.38 0.00 0.00 0.00 0.00 54.91 53.94 1hfy h ALA 106 Cb 1.17 -0.28 -0.37 0.00 0.00 0.00 0.00 17.79 18.32 1hfy h ALA 106 CO 0.59 0.63 -0.75 -1.01 0.00 0.00 0.00 179.25 178.71 1hfy s HIS 107 N -5.40 0.32 0.57 0.00 3.76 -1.26 -5.02 115.29 108.26 1hfy s HIS 107 Ca -0.11 0.05 0.27 0.00 -0.15 0.00 0.00 55.06 55.11 1hfy s HIS 107 Cb 0.16 -0.54 1.66 0.00 1.11 0.00 0.00 32.58 34.97 1hfy s HIS 107 CO 0.83 -0.20 2.19 -0.22 -0.85 0.00 0.00 174.74 176.48 1hfy h LYS 108 N 7.96 0.00 -0.51 1.40 3.64 -1.97 -2.07 116.57 125.02 1hfy h LYS 108 Ca -0.26 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1hfy h LYS 108 Cb 1.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1hfy h LYS 108 CO 0.30 0.00 0.36 0.00 -2.27 0.00 0.00 179.45 177.85 1hfy h ALA 109 N 1.93 2.46 -0.88 5.00 0.00 -1.97 0.49 119.26 126.29 1hfy h ALA 109 Ca 0.03 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1hfy h ALA 109 Cb 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1hfy h ALA 109 CO -0.00 -0.60 0.57 1.25 0.00 0.00 0.00 179.25 180.47 1hfy h LEU 110 N 0.02 0.50 -3.85 0.00 7.12 -1.81 -2.54 115.31 114.74 1hfy h LEU 110 Ca 0.24 0.04 -0.55 0.00 0.13 0.00 0.00 57.88 57.74 1hfy h LEU 110 Cb 0.95 -0.05 -0.43 0.00 -0.53 0.00 0.00 40.66 40.59 1hfy h LEU 110 CO -0.01 0.23 -0.81 0.00 -0.13 0.00 0.00 178.44 177.72 1hfy n SER 112 N -0.68 0.09 -4.77 0.00 3.41 -0.96 -4.79 113.62 105.92 1hfy n SER 112 Ca 0.43 -0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 1hfy n SER 112 Cb 0.93 0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 65.34 1hfy n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1hfy s GLU 113 N -0.52 4.08 -1.36 4.33 2.02 -1.25 -4.43 118.70 121.57 1hfy s GLU 113 Ca 0.00 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.16 1hfy s GLU 113 Cb 0.00 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1hfy s GLU 113 CO 0.00 0.40 0.55 1.63 0.02 0.00 0.00 175.26 177.86 1hfy n LYS 114 N 2.98 -4.04 0.32 1.61 4.76 -1.26 -4.83 118.16 117.70 1hfy n LYS 114 Ca -0.13 0.50 0.20 0.00 -2.87 0.00 0.00 58.31 56.02 1hfy n LYS 114 Cb 0.52 -4.83 1.09 0.00 -1.84 0.00 0.00 35.03 29.98 1hfy n LYS 114 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hfy h LEU 115 N -1.85 0.00 0.00 -0.35 3.38 -1.93 -1.44 115.31 113.12 1hfy h LEU 115 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1hfy h LEU 115 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1hfy h LEU 115 CO 0.60 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.23 1hfy n ASP 116 N -3.24 0.00 0.17 -0.43 5.75 -1.26 -2.19 116.55 115.34 1hfy n ASP 116 Ca -0.03 0.44 0.05 0.00 -0.01 0.00 0.00 54.79 55.24 1hfy n ASP 116 Cb 0.13 -0.46 0.08 0.00 -1.03 0.00 0.00 41.12 39.84 1hfy n ASP 116 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1hfy h GLN 117 N 0.00 0.00 -0.17 0.11 3.07 -1.61 -3.09 115.11 113.42 1hfy h GLN 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1hfy h GLN 117 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1hfy h GLN 117 CO 0.00 0.35 0.00 0.91 0.09 0.00 0.00 178.83 180.18 1hfy n TRP 118 N -3.19 0.21 -3.11 0.06 7.02 -0.93 -4.89 117.44 112.60 1hfy n TRP 118 Ca 0.03 -0.10 -0.34 0.00 -1.02 0.00 0.00 57.50 56.06 1hfy n TRP 118 Cb 0.67 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.50 1hfy n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1hfy s LEU 119 N -1.62 4.21 0.00 -0.99 1.43 -1.17 -4.73 118.68 115.81 1hfy s LEU 119 Ca 0.33 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1hfy s LEU 119 Cb 0.18 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.61 1hfy s LEU 119 CO 0.28 -0.08 0.67 0.00 0.23 0.00 0.00 176.35 177.44