#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex n ARG 2 N 0.00 -2.18 -0.74 1.61 1.74 -1.26 -4.77 116.66 111.06 1fex n ARG 2 Ca 0.00 1.54 -0.30 0.00 -0.77 0.00 0.00 57.85 58.32 1fex n ARG 2 Cb 0.00 -2.70 0.19 0.00 -1.02 0.00 0.00 32.46 28.93 1fex n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1fex s ILE 3 N -2.57 2.19 0.00 0.55 2.07 -1.26 -5.05 121.20 117.13 1fex s ILE 3 Ca 0.00 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1fex s ILE 3 Cb 0.00 -2.19 0.00 0.00 0.13 0.00 0.00 42.46 40.40 1fex s ILE 3 CO 0.00 -0.08 0.00 0.00 -1.91 0.00 0.00 174.94 172.95 1fex n ALA 4 N -4.43 0.00 -3.16 1.50 0.00 -1.26 -5.09 120.51 108.07 1fex n ALA 4 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 1fex n ALA 4 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 1fex n ALA 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fex s PHE 5 N 1.21 1.78 0.85 0.00 0.40 -1.26 -5.13 117.98 115.82 1fex s PHE 5 Ca 0.00 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1fex s PHE 5 Cb 0.00 -1.23 0.10 0.00 0.51 0.00 0.00 43.02 42.40 1fex s PHE 5 CO 0.00 -0.25 1.09 0.99 0.70 0.00 0.00 175.22 177.75 1fex s THR 6 N 0.32 2.91 0.35 0.64 2.01 -1.26 -4.72 115.64 115.89 1fex s THR 6 Ca -0.11 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1fex s THR 6 Cb -0.14 -2.82 0.32 0.00 0.01 0.00 0.00 72.50 69.86 1fex s THR 6 CO 0.04 -0.39 1.87 0.44 -0.69 0.00 0.00 174.62 175.89 1fex h ASP 7 N -1.36 0.67 -0.69 3.53 5.19 -2.00 0.08 116.42 121.84 1fex h ASP 7 Ca -0.48 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 1fex h ASP 7 Cb 1.27 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 1fex h ASP 7 CO 0.54 0.34 0.17 0.00 -3.12 0.00 0.00 179.24 177.17 1fex h ALA 8 N 1.60 0.98 -0.09 3.45 0.00 -2.01 -2.54 119.26 120.64 1fex h ALA 8 Ca 0.45 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1fex h ALA 8 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1fex h ALA 8 CO -0.21 0.66 -0.54 -0.44 0.00 0.00 0.00 179.25 178.72 1fex h ASP 9 N 1.06 0.28 -0.63 0.00 5.19 -1.38 -2.99 116.42 117.94 1fex h ASP 9 Ca 0.22 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1fex h ASP 9 Cb 0.37 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1fex h ASP 9 CO 0.00 0.77 0.33 0.44 -3.12 0.00 0.00 179.24 177.66 1fex h ASP 10 N 0.19 0.80 -0.66 6.45 3.32 -0.74 -1.00 116.42 124.79 1fex h ASP 10 Ca 0.00 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1fex h ASP 10 Cb 1.02 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1fex h ASP 10 CO 0.08 0.67 0.22 0.58 -1.72 0.00 0.00 179.24 179.08 1fex h VAL 11 N 0.86 1.25 -0.67 -1.35 2.07 -1.41 0.14 116.25 117.14 1fex h VAL 11 Ca 0.22 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1fex h VAL 11 Cb 0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1fex h VAL 11 CO -0.03 0.32 0.28 0.00 0.02 0.00 0.00 177.57 178.16 1fex h ALA 12 N 1.09 0.86 0.00 1.67 0.00 -1.32 -1.13 119.26 120.44 1fex h ALA 12 Ca 0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1fex h ALA 12 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fex h ALA 12 CO -0.01 0.47 -0.64 0.82 0.00 0.00 0.00 179.25 179.89 1fex h ILE 13 N 0.94 1.41 0.49 0.00 2.04 -0.89 -2.54 117.51 118.96 1fex h ILE 13 Ca 0.22 -2.22 -0.02 0.00 1.00 0.00 0.00 64.86 63.84 1fex h ILE 13 Cb 0.19 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1fex h ILE 13 CO -0.02 0.63 -0.24 0.25 0.00 0.00 0.00 178.15 178.77 1fex h LEU 14 N 0.00 -0.56 -1.32 1.44 5.85 -0.27 -1.25 115.31 119.21 1fex h LEU 14 Ca -0.01 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1fex h LEU 14 Cb 1.16 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1fex h LEU 14 CO 0.08 -0.14 0.54 0.00 -0.34 0.00 0.00 178.44 178.58 1fex h THR 15 N -1.14 0.92 0.27 1.05 1.03 -1.30 0.88 112.91 114.63 1fex h THR 15 Ca -0.07 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 66.07 1fex h THR 15 Cb 0.54 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1fex h THR 15 CO 0.11 0.13 -0.13 0.22 -0.01 0.00 0.00 175.52 175.84 1fex h TYR 16 N 0.74 -0.34 -0.61 0.00 3.20 -1.46 -2.32 116.97 116.17 1fex h TYR 16 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1fex h TYR 16 Cb 0.50 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1fex h TYR 16 CO -0.00 -0.02 0.40 0.28 -1.64 0.00 0.00 178.16 177.18 1fex h VAL 17 N -0.69 1.16 0.00 1.81 2.07 -0.77 -1.22 116.25 118.62 1fex h VAL 17 Ca -0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1fex h VAL 17 Cb 0.48 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1fex h VAL 17 CO 0.06 0.16 0.00 0.50 0.02 0.00 0.00 177.57 178.31 1fex h LYS 18 N 0.83 0.00 0.06 1.57 3.11 -0.83 -0.56 116.57 120.75 1fex h LYS 18 Ca 0.22 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.73 1fex h LYS 18 Cb -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 1fex h LYS 18 CO -0.05 0.00 -1.89 0.39 -2.81 0.00 0.00 179.45 175.09 1fex n GLU 19 N -2.94 0.67 -0.07 1.90 1.02 -0.56 -4.69 120.64 115.97 1fex n GLU 19 Ca -0.01 0.34 -0.07 0.00 -0.02 0.00 0.00 57.16 57.40 1fex n GLU 19 Cb 0.14 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 1fex n GLU 19 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1fex h ASN 20 N -0.37 0.00 -0.14 1.62 2.35 -1.19 -3.45 115.58 114.39 1fex h ASN 20 Ca -0.45 -0.14 -0.52 0.00 -0.55 0.00 0.00 56.30 54.64 1fex h ASN 20 Cb 1.76 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.05 1fex h ASN 20 CO -0.08 0.83 1.71 0.00 -1.65 0.00 0.00 177.43 178.24 1fex n ALA 21 N -3.34 0.34 -2.29 -0.83 0.00 -0.23 -4.67 120.51 109.49 1fex n ALA 21 Ca -0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 1fex n ALA 21 Cb 0.28 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 1fex n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fex n ARG 22 N 8.47 0.00 -3.97 0.00 5.12 -1.26 -4.86 116.66 120.16 1fex n ARG 22 Ca 0.63 -1.54 -0.10 0.00 -1.93 0.00 0.00 57.85 54.91 1fex n ARG 22 Cb 0.07 0.13 -0.04 0.00 -1.16 0.00 0.00 32.46 31.47 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1fex s SER 23 N -1.54 0.08 0.00 0.55 1.04 -1.26 -5.03 113.70 107.54 1fex s SER 23 Ca 0.19 -1.02 0.15 0.00 0.48 0.00 0.00 55.95 55.76 1fex s SER 23 Cb 0.22 0.66 0.82 0.00 0.10 0.00 0.00 66.02 67.81 1fex s SER 23 CO -0.10 -1.27 1.53 -0.81 0.98 0.00 0.00 173.24 173.58 1fex n PRO 24 N -0.44 1.09 -0.09 4.02 -0.04 -1.26 -3.50 135.00 134.78 1fex n PRO 24 Ca -0.02 -0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1fex n PRO 24 Cb 0.61 -1.24 0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1fex n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fex n SER 25 N -0.58 1.45 -0.09 3.54 7.64 -1.26 -4.61 113.62 119.71 1fex n SER 25 Ca 0.11 -2.14 -0.13 0.00 1.01 0.00 0.00 58.87 57.72 1fex n SER 25 Cb 0.08 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1fex n SER 25 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1fex n SER 26 N -0.62 1.84 0.10 6.43 3.41 -1.23 -3.06 113.62 120.50 1fex n SER 26 Ca 0.05 0.53 -0.19 0.00 -0.26 0.00 0.00 58.87 58.99 1fex n SER 26 Cb 0.48 -0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 63.37 1fex n SER 26 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1fex h VAL 27 N -1.00 1.29 0.00 -3.33 -1.51 -1.88 -3.34 116.25 106.49 1fex h VAL 27 Ca -0.17 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.46 1fex h VAL 27 Cb 0.89 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.97 1fex h VAL 27 CO -0.10 0.85 -0.73 0.00 -1.23 0.00 0.00 177.57 176.35 1fex h THR 28 N 0.10 0.00 -1.45 7.19 1.03 -1.81 -3.47 112.91 114.50 1fex h THR 28 Ca -0.22 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.51 1fex h THR 28 Cb 2.06 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 1fex h THR 28 CO 0.21 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.33 1fex n GLY 29 N 1.28 1.34 0.87 2.99 0.00 -1.17 -5.04 105.19 105.46 1fex n GLY 29 Ca 0.02 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.25 1fex n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fex n ASN 30 N 0.00 1.12 -0.08 1.61 3.02 -1.26 -4.83 115.26 114.84 1fex n ASN 30 Ca 0.00 -2.59 -0.07 0.00 -0.03 0.00 0.00 54.58 51.89 1fex n ASN 30 Cb 0.00 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 31 N -0.25 0.51 -0.34 5.41 0.00 -1.26 -2.90 120.51 121.67 1fex n ALA 31 Ca 0.09 -0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.11 1fex n ALA 31 Cb 0.87 -0.05 0.19 0.00 0.00 0.00 0.00 19.45 20.47 1fex n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fex h LEU 32 N -1.00 1.00 0.28 0.00 5.85 -1.82 0.16 115.31 119.78 1fex h LEU 32 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1fex h LEU 32 Cb 0.63 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1fex h LEU 32 CO -0.03 0.65 -0.14 -0.50 -0.34 0.00 0.00 178.44 178.09 1fex h TRP 33 N 1.14 -0.35 -0.99 1.25 4.06 -1.77 -3.03 115.95 116.26 1fex h TRP 33 Ca 0.41 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.46 1fex h TRP 33 Cb 0.13 0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.33 1fex h TRP 33 CO -0.00 0.00 0.63 0.87 -3.56 0.00 0.00 178.44 176.38 1fex h LYS 34 N -0.80 0.97 -0.89 0.49 1.79 -1.37 -1.14 116.57 115.63 1fex h LYS 34 Ca -0.04 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.47 1fex h LYS 34 Cb 0.51 -0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 30.86 1fex h LYS 34 CO 0.06 0.64 0.53 0.00 -1.08 0.00 0.00 179.45 179.61 1fex h ALA 35 N 1.53 1.30 -0.45 3.86 0.00 -0.94 -1.33 119.26 123.22 1fex h ALA 35 Ca 0.47 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1fex h ALA 35 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1fex h ALA 35 CO -0.24 0.16 -0.02 1.98 0.00 0.00 0.00 179.25 181.13 1fex h MET 36 N 0.87 0.81 -0.49 0.00 1.85 -1.10 -2.67 114.93 114.20 1fex h MET 36 Ca 0.43 -0.27 0.14 0.00 -0.61 0.00 0.00 59.70 59.40 1fex h MET 36 Cb 0.40 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 1fex h MET 36 CO -0.25 0.88 0.43 1.49 -0.40 0.00 0.00 176.91 179.05 1fex h GLU 37 N 0.65 0.00 0.05 0.39 4.81 -0.85 0.94 114.58 120.58 1fex h GLU 37 Ca 0.13 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.07 1fex h GLU 37 Cb 0.52 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1fex h GLU 37 CO 0.03 0.00 -1.55 -0.22 -0.73 0.00 0.00 179.01 176.54 1fex h LYS 38 N 0.00 0.12 -0.79 1.92 3.11 -1.22 -3.42 116.57 116.29 1fex h LYS 38 Ca 0.23 -0.20 -0.35 0.00 -2.81 0.00 0.00 60.65 57.53 1fex h LYS 38 Cb 1.09 0.07 -0.24 0.00 -1.00 0.00 0.00 32.23 32.15 1fex h LYS 38 CO -0.00 0.88 -0.74 0.45 -2.81 0.00 0.00 179.45 177.23 1fex n SER 39 N -3.29 -1.44 -3.87 4.20 2.88 -0.21 -5.14 113.62 106.75 1fex n SER 39 Ca -0.15 -3.22 -0.19 0.00 -1.33 0.00 0.00 58.87 53.98 1fex n SER 39 Cb 1.03 0.89 0.11 0.00 -0.75 0.00 0.00 64.21 65.49 1fex n SER 39 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1fex n SER 40 N 1.03 0.85 -0.07 -3.46 3.41 0.31 -4.76 113.62 110.93 1fex n SER 40 Ca 0.14 -1.78 -0.03 0.00 -0.26 0.00 0.00 58.87 56.94 1fex n SER 40 Cb 0.63 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 1fex n SER 40 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fex n LEU 41 N 0.00 0.06 0.00 1.04 7.94 -1.26 -4.99 117.00 119.79 1fex n LEU 41 Ca 0.13 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1fex n LEU 41 Cb 0.46 0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.73 1fex n LEU 41 CO 0.31 0.33 0.00 0.35 -1.11 0.00 0.00 177.39 177.28 1fex n THR 42 N -2.62 0.00 -3.73 1.96 -2.24 -1.26 -5.08 114.28 101.31 1fex n THR 42 Ca -0.23 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 1fex n THR 42 Cb 0.97 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1fex n THR 42 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fex s GLN 43 N -1.16 2.44 0.29 -0.78 -0.21 -1.26 -5.04 119.66 113.94 1fex s GLN 43 Ca 0.00 -2.39 -0.20 0.00 0.02 0.00 0.00 55.36 52.79 1fex s GLN 43 Cb 0.00 -3.70 0.04 0.00 1.00 0.00 0.00 33.01 30.35 1fex s GLN 43 CO 0.00 -1.15 0.79 -1.01 -2.12 0.00 0.00 175.29 171.79 1fex s HIS 44 N 0.18 -0.09 0.00 0.91 3.76 -1.26 -5.18 115.29 113.61 1fex s HIS 44 Ca 0.15 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1fex s HIS 44 Cb -0.21 0.74 0.00 0.00 1.11 0.00 0.00 32.58 34.22 1fex s HIS 44 CO -0.03 -1.26 0.00 -1.13 -0.85 0.00 0.00 174.74 171.46 1fex n SER 45 N -0.75 0.00 -0.06 1.40 3.41 -1.26 -4.72 113.62 111.63 1fex n SER 45 Ca -0.05 -0.86 -0.08 0.00 -0.26 0.00 0.00 58.87 57.61 1fex n SER 45 Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 1fex n SER 45 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1fex n TRP 46 N -0.88 0.44 0.00 7.33 4.27 -1.26 -3.95 117.44 123.39 1fex n TRP 46 Ca 0.00 0.16 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 1fex n TRP 46 Cb 0.00 -1.07 0.00 0.00 -1.36 0.00 0.00 31.31 28.88 1fex n TRP 46 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1fex n GLN 47 N -2.86 0.00 0.17 -2.67 6.02 -1.26 0.38 117.38 117.16 1fex n GLN 47 Ca -0.25 0.52 0.18 0.00 -0.01 0.00 0.00 57.00 57.45 1fex n GLN 47 Cb 1.09 -1.40 0.80 0.00 1.02 0.00 0.00 30.24 31.75 1fex n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1fex h SER 48 N 0.00 0.00 -0.14 1.08 0.87 -1.94 -0.10 113.55 113.33 1fex h SER 48 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1fex h SER 48 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1fex h SER 48 CO 0.00 0.00 -0.60 0.25 -0.53 0.00 0.00 176.83 175.95 1fex h LEU 49 N 0.00 0.77 -0.03 2.23 5.85 -1.53 -1.66 115.31 120.94 1fex h LEU 49 Ca 0.12 -0.62 -0.17 0.00 0.84 0.00 0.00 57.88 58.05 1fex h LEU 49 Cb 0.74 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1fex h LEU 49 CO -0.00 1.26 -0.63 0.50 -0.34 0.00 0.00 178.44 179.24 1fex h LYS 50 N 0.32 0.48 -0.68 1.25 3.11 0.16 -3.02 116.57 118.19 1fex h LYS 50 Ca -0.03 -0.48 -0.05 0.00 -2.81 0.00 0.00 60.65 57.28 1fex h LYS 50 Cb 1.23 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.55 1fex h LYS 50 CO 0.12 1.12 0.23 0.22 -2.81 0.00 0.00 179.45 178.33 1fex h ASP 51 N 0.03 0.96 -0.71 4.20 1.82 -1.18 -2.72 116.42 118.81 1fex h ASP 51 Ca -0.07 -0.16 -0.05 0.00 -0.39 0.00 0.00 57.03 56.36 1fex h ASP 51 Cb 1.31 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1fex h ASP 51 CO 0.13 0.88 0.26 -0.09 -1.61 0.00 0.00 179.24 178.80 1fex h ARG 52 N 1.00 1.10 -0.60 0.28 9.65 -1.34 0.85 114.38 125.32 1fex h ARG 52 Ca 0.23 -0.21 -0.07 0.00 -1.10 0.00 0.00 59.98 58.82 1fex h ARG 52 Cb 0.25 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1fex h ARG 52 CO -0.01 0.92 0.08 -0.92 2.80 0.00 0.00 179.97 182.84 1fex h TYR 53 N 1.07 1.04 0.00 2.20 3.20 -1.35 -2.91 116.97 120.21 1fex h TYR 53 Ca 0.24 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1fex h TYR 53 Cb 0.25 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1fex h TYR 53 CO 0.02 0.89 -0.95 1.28 -1.64 0.00 0.00 178.16 177.76 1fex n LEU 54 N -4.22 0.76 -0.11 2.82 4.77 -1.06 -0.65 117.00 119.31 1fex n LEU 54 Ca 0.04 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1fex n LEU 54 Cb 0.29 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1fex n LEU 54 CO 0.42 -0.12 0.79 0.11 -1.33 0.00 0.00 177.39 177.26 1fex h LYS 55 N 0.00 0.55 0.00 3.23 1.79 0.92 -3.42 116.57 119.64 1fex h LYS 55 Ca 0.00 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1fex h LYS 55 Cb 0.91 -0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.40 1fex h LYS 55 CO 0.00 0.67 -0.13 -2.39 -1.08 0.00 0.00 179.45 176.52 1fex n HIS 56 N -4.57 -1.34 0.00 -1.35 1.44 -1.17 -5.01 115.22 103.21 1fex n HIS 56 Ca -0.02 -1.17 0.00 0.00 -2.01 0.00 0.00 57.72 54.52 1fex n HIS 56 Cb 0.24 1.27 0.00 0.00 0.12 0.00 0.00 29.99 31.62 1fex n HIS 56 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1fex n LEU 57 N -0.76 0.02 -4.43 2.39 4.77 -1.06 -5.04 117.00 112.90 1fex n LEU 57 Ca -0.13 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.54 1fex n LEU 57 Cb 0.74 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.00 1fex n LEU 57 CO -0.10 -0.22 0.02 -2.11 -1.33 0.00 0.00 177.39 173.66 1fex n ARG 58 N -2.77 -1.19 0.00 3.23 -4.01 0.17 -5.04 116.66 107.06 1fex n ARG 58 Ca 0.00 -0.31 0.00 0.00 -1.04 0.00 0.00 57.85 56.50 1fex n ARG 58 Cb 0.28 -1.96 0.00 0.00 -3.04 0.00 0.00 32.46 27.74 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00