#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 -2.13 -1.08 1.61 5.12 -1.26 -4.76 116.66 114.16 1fex n ARG 2 Ca 0.00 1.48 -0.30 0.00 -1.93 0.00 0.00 57.85 57.09 1fex n ARG 2 Cb 0.00 -2.63 0.13 0.00 -1.16 0.00 0.00 32.46 28.80 1fex n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1fex s ILE 3 N -2.37 2.78 0.25 0.55 2.07 -1.26 -5.05 121.20 118.18 1fex s ILE 3 Ca 0.00 0.25 -0.00 0.00 -1.41 0.00 0.00 60.65 59.49 1fex s ILE 3 Cb 0.00 -2.62 0.05 0.00 0.13 0.00 0.00 42.46 40.02 1fex s ILE 3 CO 0.00 -0.33 0.34 0.00 -1.91 0.00 0.00 174.94 173.03 1fex n ALA 4 N -3.87 0.04 -3.59 1.50 0.00 -1.26 -5.07 120.51 108.27 1fex n ALA 4 Ca 0.09 -0.65 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 1fex n ALA 4 Cb 0.54 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.91 3.42 0.00 0.00 0.08 -1.26 -5.03 117.98 114.28 1fex s PHE 5 Ca 0.22 -2.00 0.00 0.00 0.12 0.00 0.00 56.93 55.27 1fex s PHE 5 Cb -0.01 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1fex s PHE 5 CO 0.15 -0.88 0.00 0.25 -0.10 0.00 0.00 175.22 174.64 1fex n THR 6 N 4.69 0.00 0.01 0.64 -2.24 -1.26 -4.77 114.28 111.35 1fex n THR 6 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1fex n THR 6 Cb 0.42 -1.84 0.02 0.00 -2.10 0.00 0.00 70.33 66.83 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fex h ASP 7 N -0.06 0.64 -0.17 3.42 3.32 -2.00 -2.73 116.42 118.84 1fex h ASP 7 Ca 0.00 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 56.49 1fex h ASP 7 Cb 0.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1fex h ASP 7 CO 0.00 1.12 -0.57 0.00 -1.72 0.00 0.00 179.24 178.08 1fex h ALA 8 N 0.87 0.53 -0.09 3.45 0.00 -2.01 -2.98 119.26 119.03 1fex h ALA 8 Ca -0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1fex h ALA 8 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1fex h ALA 8 CO 0.12 0.69 -0.31 -0.44 0.00 0.00 0.00 179.25 179.31 1fex h ASP 9 N 0.59 0.17 -0.02 0.00 3.32 -1.90 -2.52 116.42 116.06 1fex h ASP 9 Ca 0.01 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1fex h ASP 9 Cb 1.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1fex h ASP 9 CO 0.12 0.48 -0.38 0.44 -1.72 0.00 0.00 179.24 178.18 1fex h ASP 10 N 0.15 0.55 0.12 6.45 5.19 -1.39 -2.10 116.42 125.39 1fex h ASP 10 Ca 0.02 -0.23 -0.17 0.00 -0.62 0.00 0.00 57.03 56.03 1fex h ASP 10 Cb 0.63 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1fex h ASP 10 CO 0.05 0.88 -0.63 0.58 -3.12 0.00 0.00 179.24 176.99 1fex h VAL 11 N 0.44 1.34 0.19 -1.35 2.07 -1.34 -1.91 116.25 115.70 1fex h VAL 11 Ca 0.04 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 1fex h VAL 11 Cb 0.86 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1fex h VAL 11 CO 0.07 0.59 -0.09 0.00 0.02 0.00 0.00 177.57 178.16 1fex h ALA 12 N 0.95 -0.26 -0.06 1.67 0.00 -1.32 0.11 119.26 120.35 1fex h ALA 12 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1fex h ALA 12 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1fex h ALA 12 CO 0.11 -0.42 -0.02 0.82 0.00 0.00 0.00 179.25 179.74 1fex h ILE 13 N -0.71 0.92 0.88 0.00 2.04 -1.45 0.57 117.51 119.77 1fex h ILE 13 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1fex h ILE 13 Cb 0.49 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1fex h ILE 13 CO 0.04 0.00 -0.44 0.25 0.00 0.00 0.00 178.15 178.00 1fex h LEU 14 N -0.02 -1.06 -0.44 1.44 5.85 -1.40 0.17 115.31 119.85 1fex h LEU 14 Ca 0.03 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1fex h LEU 14 Cb 0.06 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1fex h LEU 14 CO -0.07 -0.74 0.17 0.74 -0.34 0.00 0.00 178.44 178.20 1fex h THR 15 N -1.21 0.88 0.56 1.05 2.02 -0.88 0.17 112.91 115.50 1fex h THR 15 Ca -0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1fex h THR 15 Cb 0.93 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1fex h THR 15 CO 0.18 0.06 -0.27 0.22 0.37 0.00 0.00 175.52 176.08 1fex h TYR 16 N 0.34 -0.70 -0.78 3.16 3.20 0.27 -1.44 116.97 121.01 1fex h TYR 16 Ca 0.20 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1fex h TYR 16 Cb 0.19 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1fex h TYR 16 CO -0.15 -0.44 0.46 0.28 -1.64 0.00 0.00 178.16 176.68 1fex h VAL 17 N -0.76 1.01 0.00 1.81 2.07 -0.43 0.14 116.25 120.09 1fex h VAL 17 Ca -0.08 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1fex h VAL 17 Cb 0.58 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1fex h VAL 17 CO 0.12 0.15 -0.05 0.50 0.02 0.00 0.00 177.57 178.31 1fex h LYS 18 N 0.85 0.00 0.08 1.57 1.63 -0.41 0.69 116.57 120.97 1fex h LYS 18 Ca 0.34 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.84 1fex h LYS 18 Cb 0.18 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 1fex h LYS 18 CO -0.18 0.05 -1.62 0.93 -3.45 0.00 0.00 179.45 175.18 1fex h GLU 19 N 0.00 0.17 0.00 1.90 4.39 0.09 -3.42 114.58 117.71 1fex h GLU 19 Ca -0.00 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.33 1fex h GLU 19 Cb 0.19 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1fex h GLU 19 CO 0.01 0.95 -1.20 0.09 -1.16 0.00 0.00 179.01 177.70 1fex n ASN 20 N -3.34 1.83 -4.51 1.42 3.02 -0.58 -4.89 115.26 108.22 1fex n ASN 20 Ca -0.18 0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1fex n ASN 20 Cb 1.04 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1fex n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 21 N -4.31 0.54 0.00 5.41 0.00 0.24 -4.61 120.51 117.78 1fex n ALA 21 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1fex n ALA 21 Cb 0.54 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1fex n ALA 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fex n ARG 22 N 8.64 0.00 -3.43 0.00 0.63 -1.26 -4.71 116.66 116.52 1fex n ARG 22 Ca 0.53 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 57.20 1fex n ARG 22 Cb 0.24 -0.68 -0.02 0.00 0.45 0.00 0.00 32.46 32.45 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1fex s SER 23 N -4.02 6.35 -1.20 6.15 1.04 -1.26 -4.96 113.70 115.79 1fex s SER 23 Ca 0.00 0.50 -0.10 0.00 0.48 0.00 0.00 55.95 56.83 1fex s SER 23 Cb 0.00 -2.05 -0.07 0.00 0.10 0.00 0.00 66.02 64.00 1fex s SER 23 CO 0.00 -0.22 2.40 -0.81 0.98 0.00 0.00 173.24 175.58 1fex n PRO 24 N -1.38 2.66 0.00 4.02 -0.04 -1.26 -3.48 135.00 135.52 1fex n PRO 24 Ca -0.04 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1fex n PRO 24 Cb 0.55 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 4.55 0.00 0.18 3.54 7.64 -1.26 -4.79 113.62 123.49 1fex n SER 25 Ca 0.58 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.59 1fex n SER 25 Cb 0.22 0.23 0.70 0.00 -1.01 0.00 0.00 64.21 64.35 1fex n SER 25 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1fex h SER 26 N 0.00 0.00 0.78 6.43 4.64 -1.92 0.93 113.55 124.40 1fex h SER 26 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1fex h SER 26 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1fex h SER 26 CO 0.00 0.00 -1.33 -0.37 -0.87 0.00 0.00 176.83 174.26 1fex h VAL 27 N 0.00 0.57 0.04 0.95 -1.51 -1.91 -3.36 116.25 111.04 1fex h VAL 27 Ca 0.08 -2.08 -0.29 0.00 -1.23 0.00 0.00 66.70 63.18 1fex h VAL 27 Cb 0.35 2.11 -0.03 0.00 -2.13 0.00 0.00 31.29 31.59 1fex h VAL 27 CO -0.00 0.33 -1.60 0.74 -1.23 0.00 0.00 177.57 175.80 1fex h THR 28 N 0.00 1.01 -0.59 7.19 2.02 -1.54 -3.47 112.91 117.53 1fex h THR 28 Ca -0.15 -2.78 0.00 0.00 0.77 0.00 0.00 66.41 64.25 1fex h THR 28 Cb 1.59 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1fex h THR 28 CO 0.05 0.69 0.00 0.61 0.37 0.00 0.00 175.52 177.24 1fex n GLY 29 N 1.61 0.35 1.21 2.16 0.00 0.31 -5.04 105.19 105.79 1fex n GLY 29 Ca -0.16 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.29 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 0.71 -0.11 1.61 3.02 -1.26 -4.90 115.26 114.34 1fex n ASN 30 Ca 0.00 -2.00 -0.21 0.00 -0.03 0.00 0.00 54.58 52.33 1fex n ASN 30 Cb 0.00 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.80 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 0.35 0.80 -0.01 5.41 0.00 -1.26 -2.63 120.51 123.17 1fex n ALA 31 Ca 0.04 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 53.05 1fex n ALA 31 Cb 1.02 -0.42 0.55 0.00 0.00 0.00 0.00 19.45 20.60 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 0.25 0.08 0.00 5.85 -1.91 0.53 115.31 119.11 1fex h LEU 32 Ca -0.35 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 1fex h LEU 32 Cb 1.26 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.26 1fex h LEU 32 CO -0.21 0.15 -0.47 -0.50 -0.34 0.00 0.00 178.44 177.07 1fex h TRP 33 N 0.28 0.31 -0.72 1.25 4.06 -1.81 -3.04 115.95 116.28 1fex h TRP 33 Ca 0.22 -0.23 0.01 0.00 2.06 0.00 0.00 58.89 60.95 1fex h TRP 33 Cb 0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 1fex h TRP 33 CO -0.00 1.18 0.47 0.87 -3.56 0.00 0.00 178.44 177.40 1fex h LYS 34 N -0.64 0.92 -0.79 0.49 1.57 -1.14 -2.26 116.57 114.72 1fex h LYS 34 Ca -0.08 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1fex h LYS 34 Cb 1.37 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1fex h LYS 34 CO 0.09 0.61 0.51 0.00 -0.57 0.00 0.00 179.45 180.08 1fex h ALA 35 N 1.27 1.03 -0.81 3.86 0.00 -0.06 -2.09 119.26 122.46 1fex h ALA 35 Ca 0.27 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1fex h ALA 35 Cb -0.08 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.34 1fex h ALA 35 CO -0.07 0.33 0.37 1.98 0.00 0.00 0.00 179.25 181.85 1fex h MET 36 N 0.99 0.49 -0.32 0.00 -1.53 -1.28 0.66 114.93 113.93 1fex h MET 36 Ca 0.31 -0.03 -0.11 0.00 -3.44 0.00 0.00 59.70 56.44 1fex h MET 36 Cb -0.00 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.92 1fex h MET 36 CO -0.11 0.32 -0.24 1.49 0.14 0.00 0.00 176.91 178.51 1fex h GLU 37 N 0.50 0.63 -0.74 0.39 4.81 -1.31 -2.73 114.58 116.14 1fex h GLU 37 Ca 0.46 -0.25 -0.30 0.00 -0.13 0.00 0.00 59.36 59.14 1fex h GLU 37 Cb 0.71 -0.03 -0.18 0.00 0.63 0.00 0.00 28.75 29.88 1fex h GLU 37 CO -0.41 0.82 0.33 1.63 -0.73 0.00 0.00 179.01 180.66 1fex n LYS 38 N -4.11 2.89 0.00 1.92 4.76 0.31 -4.69 118.16 119.23 1fex n LYS 38 Ca -0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 1fex n LYS 38 Cb 0.42 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 1fex n LYS 38 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1fex n SER 39 N -0.67 0.00 -0.02 4.39 2.88 0.20 -4.98 113.62 115.43 1fex n SER 39 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1fex n SER 39 Cb 1.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1fex n SER 39 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1fex n SER 40 N -2.22 0.00 -2.77 -3.46 2.88 -1.05 -5.06 113.62 101.95 1fex n SER 40 Ca 0.00 -0.02 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1fex n SER 40 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1fex n SER 40 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1fex n LEU 41 N 0.00 -5.06 0.00 2.46 0.00 -1.26 -4.61 117.00 108.53 1fex n LEU 41 Ca 0.00 1.64 0.03 0.00 0.00 0.00 0.00 56.01 57.68 1fex n LEU 41 Cb 0.00 -2.36 -0.01 0.00 0.00 0.00 0.00 43.42 41.06 1fex n LEU 41 CO 0.00 -3.25 -0.04 0.35 0.00 0.00 0.00 177.39 174.45 1fex n THR 42 N 2.14 0.00 -3.26 1.96 -2.24 -1.26 -4.84 114.28 106.77 1fex n THR 42 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1fex n THR 42 Cb 0.27 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1fex n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fex s GLN 43 N -0.50 0.45 0.35 -0.78 -2.07 -1.26 -4.81 119.66 111.04 1fex s GLN 43 Ca 0.00 0.30 0.01 0.00 -1.82 0.00 0.00 55.36 53.84 1fex s GLN 43 Cb 0.00 -0.15 -0.00 0.00 -1.09 0.00 0.00 33.01 31.77 1fex s GLN 43 CO 0.00 -0.99 0.02 0.72 -1.32 0.00 0.00 175.29 173.72 1fex n HIS 44 N 5.37 0.70 -0.27 9.60 8.25 -1.26 -5.03 115.22 132.58 1fex n HIS 44 Ca 0.01 -1.82 0.03 0.00 -0.26 0.00 0.00 57.72 55.68 1fex n HIS 44 Cb 0.51 -0.19 0.26 0.00 1.12 0.00 0.00 29.99 31.68 1fex n HIS 44 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1fex n SER 45 N -1.31 4.09 0.00 0.41 3.41 -1.26 -4.62 113.62 114.35 1fex n SER 45 Ca -0.13 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1fex n SER 45 Cb 0.46 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.33 0.00 0.12 7.33 4.27 -1.26 -4.68 117.44 123.55 1fex n TRP 46 Ca 0.20 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.76 1fex n TRP 46 Cb 0.91 -0.24 -0.03 0.00 -1.36 0.00 0.00 31.31 30.59 1fex n TRP 46 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1fex h GLN 47 N 0.06 -0.33 -0.18 -2.67 4.20 -1.94 -2.47 115.11 111.78 1fex h GLN 47 Ca 0.00 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1fex h GLN 47 Cb 0.00 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1fex h GLN 47 CO 0.00 -0.22 0.35 1.03 -0.67 0.00 0.00 178.83 179.31 1fex h SER 48 N -0.59 0.00 0.10 1.46 0.87 -1.98 0.45 113.55 113.85 1fex h SER 48 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1fex h SER 48 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1fex h SER 48 CO 0.06 0.00 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.24 1fex h LEU 49 N 0.00 -0.11 -0.61 2.23 3.38 -1.91 -2.90 115.31 115.39 1fex h LEU 49 Ca 0.09 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1fex h LEU 49 Cb 0.78 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1fex h LEU 49 CO -0.00 0.53 -0.38 0.50 0.09 0.00 0.00 178.44 179.17 1fex h LYS 50 N -0.93 0.67 0.20 1.13 3.11 -0.92 -2.81 116.57 117.03 1fex h LYS 50 Ca -0.01 -0.34 -0.01 0.00 -2.81 0.00 0.00 60.65 57.48 1fex h LYS 50 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1fex h LYS 50 CO 0.02 0.94 -0.10 0.22 -2.81 0.00 0.00 179.45 177.73 1fex h ASP 51 N 0.56 -0.23 0.11 4.20 1.82 -1.05 -2.37 116.42 119.45 1fex h ASP 51 Ca 0.05 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1fex h ASP 51 Cb 0.91 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 1fex h ASP 51 CO 0.08 -0.15 -0.09 -0.09 -1.61 0.00 0.00 179.24 177.39 1fex h ARG 52 N -0.30 0.00 -0.85 0.28 1.12 -1.53 -1.74 114.38 111.36 1fex h ARG 52 Ca -0.03 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.81 1fex h ARG 52 Cb 0.23 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.15 1fex h ARG 52 CO 0.05 0.09 0.41 -0.92 -3.11 0.00 0.00 179.97 176.48 1fex h TYR 53 N 0.00 1.24 -0.01 2.20 3.20 -1.15 -2.22 116.97 120.22 1fex h TYR 53 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1fex h TYR 53 Cb 0.17 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1fex h TYR 53 CO 0.00 0.89 -0.20 1.28 -1.64 0.00 0.00 178.16 178.49 1fex n LEU 54 N -4.30 1.26 0.04 2.82 4.77 -0.88 0.23 117.00 120.94 1fex n LEU 54 Ca 0.08 -0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 55.49 1fex n LEU 54 Cb 0.14 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1fex n LEU 54 CO 0.40 0.23 -0.03 0.11 -1.33 0.00 0.00 177.39 176.77 1fex h LYS 55 N 1.66 0.28 0.00 3.23 1.79 -0.70 -3.44 116.57 119.39 1fex h LYS 55 Ca 0.00 -0.48 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 1fex h LYS 55 Cb 0.53 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 1fex h LYS 55 CO 0.00 1.23 -0.18 -2.39 -1.08 0.00 0.00 179.45 177.03 1fex n HIS 56 N -4.11 0.00 0.02 -1.35 1.44 -1.16 -5.00 115.22 105.06 1fex n HIS 56 Ca -0.16 -0.27 -0.02 0.00 -2.01 0.00 0.00 57.72 55.26 1fex n HIS 56 Cb 0.82 0.37 -0.01 0.00 0.12 0.00 0.00 29.99 31.29 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 0.01 1.25 -4.49 2.39 4.77 -1.09 -4.87 117.00 114.97 1fex n LEU 57 Ca -0.15 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1fex n LEU 57 Cb 0.62 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1fex n LEU 57 CO -0.07 -0.61 1.29 -0.60 -1.33 0.00 0.00 177.39 176.07 1fex s ARG 58 N -2.19 3.79 0.00 3.23 3.00 0.14 -5.03 118.95 121.88 1fex s ARG 58 Ca -0.06 -1.94 0.21 0.00 -1.00 0.00 0.00 55.73 52.93 1fex s ARG 58 Cb 0.01 -5.10 0.17 0.00 0.00 0.00 0.00 34.95 30.03 1fex s ARG 58 CO 0.09 -1.89 1.16 0.41 0.00 0.00 0.00 175.30 175.08