#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex s ARG 2 N 0.00 2.77 -0.15 1.61 1.70 -1.26 -4.75 118.95 118.86 1fex s ARG 2 Ca 0.00 -0.70 0.23 0.00 -0.47 0.00 0.00 55.73 54.78 1fex s ARG 2 Cb 0.00 -2.67 0.47 0.00 -0.57 0.00 0.00 34.95 32.18 1fex s ARG 2 CO 0.00 0.58 1.14 -0.89 -1.08 0.00 0.00 175.30 175.05 1fex n ILE 3 N 0.74 0.86 -3.04 4.99 -0.00 -1.26 -5.13 119.36 116.52 1fex n ILE 3 Ca -0.11 -2.21 0.00 0.00 -0.00 0.00 0.00 62.75 60.43 1fex n ILE 3 Cb 0.52 0.97 0.00 0.00 -0.00 0.00 0.00 39.64 41.13 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1fex n ALA 4 N -0.17 0.00 -3.13 -1.39 0.00 -1.26 -4.91 120.51 109.65 1fex n ALA 4 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1fex n ALA 4 Cb 0.95 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.30 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 0.00 -0.02 0.00 0.00 0.08 -1.26 -5.10 117.98 111.68 1fex s PHE 5 Ca 0.00 -0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1fex s PHE 5 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.44 1fex s PHE 5 CO 0.00 -0.29 0.00 0.25 -0.10 0.00 0.00 175.22 175.08 1fex n THR 6 N 1.57 0.00 0.14 0.64 -2.24 -1.26 -5.02 114.28 108.10 1fex n THR 6 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1fex n THR 6 Cb 0.56 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.00 0.00 -0.28 3.42 5.19 -2.02 -2.99 116.42 119.74 1fex h ASP 7 Ca 0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 1fex h ASP 7 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1fex h ASP 7 CO 0.00 0.60 -0.54 0.00 -3.12 0.00 0.00 179.24 176.18 1fex h ALA 8 N 1.40 0.48 -0.37 3.45 0.00 -2.00 -2.83 119.26 119.38 1fex h ALA 8 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1fex h ALA 8 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1fex h ALA 8 CO 0.08 0.68 -0.14 -0.44 0.00 0.00 0.00 179.25 179.43 1fex h ASP 9 N 0.67 0.76 -0.96 0.00 3.32 -1.95 -2.21 116.42 116.04 1fex h ASP 9 Ca 0.02 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.69 1fex h ASP 9 Cb 1.15 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 1fex h ASP 9 CO 0.12 0.97 0.64 0.44 -1.72 0.00 0.00 179.24 179.69 1fex h ASP 10 N 0.53 1.09 -0.22 6.45 3.32 -1.54 0.80 116.42 126.86 1fex h ASP 10 Ca 0.09 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1fex h ASP 10 Cb 0.67 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1fex h ASP 10 CO 0.05 0.78 -0.10 0.58 -1.72 0.00 0.00 179.24 178.83 1fex h VAL 11 N 1.29 1.30 -0.32 -1.35 2.07 -1.39 -1.62 116.25 116.23 1fex h VAL 11 Ca 0.36 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1fex h VAL 11 Cb -0.12 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1fex h VAL 11 CO -0.08 0.35 0.07 0.00 0.02 0.00 0.00 177.57 177.93 1fex h ALA 12 N 0.71 0.43 0.16 1.67 0.00 -1.03 0.21 119.26 121.41 1fex h ALA 12 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1fex h ALA 12 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fex h ALA 12 CO 0.03 0.10 -0.08 0.82 0.00 0.00 0.00 179.25 180.13 1fex h ILE 13 N 0.36 0.89 0.58 0.00 2.04 -0.86 0.81 117.51 121.33 1fex h ILE 13 Ca 0.10 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1fex h ILE 13 Cb 0.32 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1fex h ILE 13 CO 0.00 0.04 -0.28 0.25 0.00 0.00 0.00 178.15 178.16 1fex h LEU 14 N -0.29 -0.66 -1.28 1.44 5.85 -1.27 -1.13 115.31 117.97 1fex h LEU 14 Ca -0.02 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.85 1fex h LEU 14 Cb 0.23 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1fex h LEU 14 CO 0.04 -0.33 0.60 0.74 -0.34 0.00 0.00 178.44 179.15 1fex h THR 15 N -1.02 0.73 -0.15 1.05 2.02 -0.61 0.50 112.91 115.42 1fex h THR 15 Ca -0.08 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1fex h THR 15 Cb 0.66 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1fex h THR 15 CO 0.13 0.11 -0.13 0.22 0.37 0.00 0.00 175.52 176.22 1fex h TYR 16 N 0.61 0.43 0.54 3.16 5.03 -0.72 -2.62 116.97 123.40 1fex h TYR 16 Ca 0.51 -0.12 -0.03 0.00 2.58 0.00 0.00 58.73 61.66 1fex h TYR 16 Cb 0.97 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 39.16 1fex h TYR 16 CO -0.00 0.73 -0.26 0.28 -1.32 0.00 0.00 178.16 177.59 1fex h VAL 17 N 0.00 0.38 -0.10 1.81 2.07 0.01 -2.57 116.25 117.84 1fex h VAL 17 Ca 0.03 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1fex h VAL 17 Cb 0.65 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1fex h VAL 17 CO 0.03 0.04 0.26 0.50 0.02 0.00 0.00 177.57 178.43 1fex h LYS 18 N -0.94 0.00 0.00 1.57 3.64 -1.05 0.44 116.57 120.23 1fex h LYS 18 Ca -0.07 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1fex h LYS 18 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1fex h LYS 18 CO 0.12 0.00 -0.67 0.93 -2.27 0.00 0.00 179.45 177.56 1fex h GLU 19 N 0.00 0.00 0.00 1.90 5.08 -1.16 -3.40 114.58 117.00 1fex h GLU 19 Ca 0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1fex h GLU 19 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1fex h GLU 19 CO -0.00 0.18 -0.98 0.09 -1.00 0.00 0.00 179.01 177.29 1fex n ASN 20 N -2.97 0.58 0.00 1.42 3.02 0.12 -4.92 115.26 112.51 1fex n ASN 20 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1fex n ASN 20 Cb 0.65 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 -3.33 0.00 -2.73 5.41 0.00 0.13 -4.80 120.51 115.19 1fex n ALA 21 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1fex n ALA 21 Cb 0.44 0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.52 -2.79 -3.54 0.00 1.74 -1.26 -4.87 116.66 105.42 1fex n ARG 22 Ca 0.00 0.65 -0.11 0.00 -0.77 0.00 0.00 57.85 57.63 1fex n ARG 22 Cb 0.00 -5.32 -0.04 0.00 -1.02 0.00 0.00 32.46 26.08 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fex s SER 23 N -2.28 -0.41 -1.51 0.55 1.04 -1.26 -5.04 113.70 104.79 1fex s SER 23 Ca 0.13 0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.74 1fex s SER 23 Cb -0.07 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 1fex s SER 23 CO 0.16 -0.51 2.86 -0.81 0.98 0.00 0.00 173.24 175.92 1fex n PRO 24 N 0.33 3.45 0.15 4.02 -0.04 -1.26 -3.84 135.00 137.82 1fex n PRO 24 Ca -0.11 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1fex n PRO 24 Cb 0.60 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1fex n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1fex n SER 25 N 3.65 -2.21 -0.21 3.54 2.88 -1.26 -4.81 113.62 115.19 1fex n SER 25 Ca 0.74 0.56 0.05 0.00 -1.33 0.00 0.00 58.87 58.89 1fex n SER 25 Cb 0.23 2.21 0.31 0.00 -0.75 0.00 0.00 64.21 66.20 1fex n SER 25 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1fex h SER 26 N 0.00 0.75 1.75 -3.46 4.64 -1.90 0.90 113.55 116.24 1fex h SER 26 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1fex h SER 26 Cb 0.00 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1fex h SER 26 CO 0.00 0.49 -0.10 -0.37 -0.87 0.00 0.00 176.83 175.98 1fex h VAL 27 N 0.86 0.18 0.00 0.95 -1.51 -1.91 -3.30 116.25 111.51 1fex h VAL 27 Ca 0.32 -1.17 -0.33 0.00 -1.23 0.00 0.00 66.70 64.29 1fex h VAL 27 Cb 0.19 2.01 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 1fex h VAL 27 CO -0.11 0.10 -2.16 0.41 -1.23 0.00 0.00 177.57 174.58 1fex n THR 28 N -3.14 1.41 -2.22 7.19 -1.04 -0.33 -4.95 114.28 111.20 1fex n THR 28 Ca 0.03 -0.83 -0.00 0.00 -2.04 0.00 0.00 64.05 61.21 1fex n THR 28 Cb 0.54 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fex n GLY 29 N 1.67 0.73 1.40 3.41 0.00 0.30 -5.02 105.19 107.69 1fex n GLY 29 Ca -0.27 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.00 3.47 -0.03 1.61 3.02 -1.26 -4.77 115.26 114.30 1fex n ASN 30 Ca 0.00 -3.81 -0.02 0.00 -0.03 0.00 0.00 54.58 50.72 1fex n ASN 30 Cb 0.00 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.99 0.18 0.05 5.41 0.00 -1.26 -2.83 120.51 121.07 1fex n ALA 31 Ca 0.36 -0.25 0.20 0.00 0.00 0.00 0.00 53.44 53.76 1fex n ALA 31 Cb 0.91 0.01 0.72 0.00 0.00 0.00 0.00 19.45 21.09 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 -0.40 0.00 0.04 0.00 5.85 -1.86 -0.65 115.31 118.28 1fex h LEU 32 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fex h LEU 32 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1fex h LEU 32 CO 0.00 0.00 -0.02 -0.50 -0.34 0.00 0.00 178.44 177.58 1fex h TRP 33 N 0.00 -0.05 -0.89 1.25 4.06 -1.81 -2.87 115.95 115.63 1fex h TRP 33 Ca 0.22 -0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.29 1fex h TRP 33 Cb 0.97 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.06 1fex h TRP 33 CO 0.00 0.53 0.51 0.87 -3.56 0.00 0.00 178.44 176.79 1fex h LYS 34 N -0.94 0.76 -0.37 0.49 1.79 -1.24 0.14 116.57 117.20 1fex h LYS 34 Ca -0.01 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1fex h LYS 34 Cb 0.61 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1fex h LYS 34 CO 0.01 0.50 0.08 0.00 -1.08 0.00 0.00 179.45 178.97 1fex h ALA 35 N 1.52 1.45 0.08 3.86 0.00 -1.23 -2.75 119.26 122.19 1fex h ALA 35 Ca 0.46 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1fex h ALA 35 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fex h ALA 35 CO -0.30 0.40 -0.04 1.98 0.00 0.00 0.00 179.25 181.30 1fex h MET 36 N 0.54 -0.10 -1.00 0.00 1.85 -0.51 -2.84 114.93 112.87 1fex h MET 36 Ca 0.13 0.01 0.21 0.00 -0.61 0.00 0.00 59.70 59.43 1fex h MET 36 Cb 0.22 0.02 -0.11 0.00 0.43 0.00 0.00 31.60 32.16 1fex h MET 36 CO -0.00 0.07 0.61 1.49 -0.40 0.00 0.00 176.91 178.67 1fex h GLU 37 N -0.25 0.68 -0.83 0.39 4.22 -1.11 1.02 114.58 118.69 1fex h GLU 37 Ca -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 1fex h GLU 37 Cb 0.21 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1fex h GLU 37 CO 0.02 0.45 0.46 0.87 -2.18 0.00 0.00 179.01 178.62 1fex h LYS 38 N 0.70 1.16 0.00 1.92 1.79 -1.38 -3.42 116.57 117.35 1fex h LYS 38 Ca 0.60 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1fex h LYS 38 Cb 1.02 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1fex h LYS 38 CO -0.41 0.86 0.00 0.43 -1.08 0.00 0.00 179.45 179.24 1fex n SER 39 N -4.39 0.00 -1.15 0.86 7.64 0.16 -5.13 113.62 111.61 1fex n SER 39 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.10 1fex n SER 39 Cb 0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1fex n SER 39 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1fex n SER 40 N -2.05 -6.30 -0.09 6.43 2.88 0.33 -4.73 113.62 110.09 1fex n SER 40 Ca 0.00 0.64 -0.10 0.00 -1.33 0.00 0.00 58.87 58.07 1fex n SER 40 Cb 0.00 -3.66 -0.13 0.00 -0.75 0.00 0.00 64.21 59.67 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 -3.51 0.60 0.00 2.46 7.94 -1.26 -5.00 117.00 118.22 1fex n LEU 41 Ca -0.02 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1fex n LEU 41 Cb 0.63 0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1fex n LEU 41 CO 0.02 0.52 0.00 0.35 -1.11 0.00 0.00 177.39 177.17 1fex n THR 42 N -2.75 0.00 -3.93 1.96 -2.24 -1.26 -5.08 114.28 100.98 1fex n THR 42 Ca -0.31 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1fex n THR 42 Cb 1.04 -0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 1fex n THR 42 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1fex s GLN 43 N 2.53 2.02 0.27 -0.78 0.74 -1.26 -5.07 119.66 118.12 1fex s GLN 43 Ca 0.00 -2.57 -0.09 0.00 0.05 0.00 0.00 55.36 52.75 1fex s GLN 43 Cb 0.00 -3.36 -0.00 0.00 1.10 0.00 0.00 33.01 30.74 1fex s GLN 43 CO 0.00 -1.11 0.45 -1.01 -0.55 0.00 0.00 175.29 173.08 1fex s HIS 44 N -0.19 0.63 0.00 1.67 3.76 -1.26 -4.92 115.29 114.98 1fex s HIS 44 Ca 0.17 -0.95 0.00 0.00 -0.15 0.00 0.00 55.06 54.12 1fex s HIS 44 Cb -0.25 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.50 1fex s HIS 44 CO -0.01 -1.02 0.00 -1.13 -0.85 0.00 0.00 174.74 171.73 1fex n SER 45 N -0.69 0.00 -0.10 1.40 3.41 -1.26 -4.61 113.62 111.77 1fex n SER 45 Ca -0.01 -0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 57.88 1fex n SER 45 Cb 0.62 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.00 -0.10 7.33 4.27 -1.26 -4.29 117.44 122.51 1fex n TRP 46 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 1fex n TRP 46 Cb 0.00 -0.80 -0.04 0.00 -1.36 0.00 0.00 31.31 29.11 1fex n TRP 46 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1fex h GLN 47 N 0.00 0.55 -0.24 -2.67 4.15 -1.97 0.10 115.11 115.03 1fex h GLN 47 Ca -0.46 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 58.76 1fex h GLN 47 Cb 1.80 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 1fex h GLN 47 CO -0.04 0.76 0.16 1.03 -1.93 0.00 0.00 178.83 178.80 1fex h SER 48 N 0.30 0.27 0.71 -0.69 0.87 -1.99 0.15 113.55 113.16 1fex h SER 48 Ca 0.07 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.37 1fex h SER 48 Cb 0.56 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 1fex h SER 48 CO 0.03 0.19 -1.38 -0.07 -0.53 0.00 0.00 176.83 175.07 1fex h LEU 49 N 0.31 0.05 -0.23 2.23 3.38 -1.70 -3.06 115.31 116.29 1fex h LEU 49 Ca 0.09 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1fex h LEU 49 Cb -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1fex h LEU 49 CO -0.02 1.06 -0.73 0.50 0.09 0.00 0.00 178.44 179.33 1fex h LYS 50 N 0.01 0.74 -0.25 1.13 3.11 0.04 -2.72 116.57 118.62 1fex h LYS 50 Ca -0.16 -0.58 -0.11 0.00 -2.81 0.00 0.00 60.65 56.99 1fex h LYS 50 Cb 1.91 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 33.25 1fex h LYS 50 CO 0.11 1.19 -0.27 0.22 -2.81 0.00 0.00 179.45 177.89 1fex h ASP 51 N 0.51 0.67 -0.83 4.20 3.58 -0.85 -3.10 116.42 120.61 1fex h ASP 51 Ca -0.04 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 56.92 1fex h ASP 51 Cb 1.35 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1fex h ASP 51 CO 0.15 1.02 0.48 -0.09 -2.88 0.00 0.00 179.24 177.91 1fex h ARG 52 N 0.34 1.15 -0.20 0.28 1.12 -1.58 0.34 114.38 115.83 1fex h ARG 52 Ca 0.04 -0.12 0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1fex h ARG 52 Cb 0.84 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.54 1fex h ARG 52 CO 0.07 0.82 0.07 -0.92 -3.11 0.00 0.00 179.97 176.90 1fex h TYR 53 N 1.16 0.12 0.00 2.20 3.20 -1.43 -2.27 116.97 119.95 1fex h TYR 53 Ca 0.30 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1fex h TYR 53 Cb -0.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1fex h TYR 53 CO 0.01 0.06 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.44 1fex h LEU 54 N 0.16 0.00 0.43 2.82 3.38 -1.43 -0.91 115.31 119.76 1fex h LEU 54 Ca 0.08 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1fex h LEU 54 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1fex h LEU 54 CO -0.09 0.00 -0.22 0.11 0.09 0.00 0.00 178.44 178.33 1fex h LYS 55 N 0.00 -0.57 0.00 1.13 1.79 0.26 -3.42 116.57 115.76 1fex h LYS 55 Ca 0.00 0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 1fex h LYS 55 Cb 0.98 0.13 -0.12 0.00 -1.58 0.00 0.00 32.23 31.64 1fex h LYS 55 CO 0.00 -0.38 -0.20 -2.39 -1.08 0.00 0.00 179.45 175.39 1fex n HIS 56 N -5.35 -1.68 0.05 -1.35 1.44 -1.10 -5.02 115.22 102.21 1fex n HIS 56 Ca -0.11 -1.39 0.00 0.00 -2.01 0.00 0.00 57.72 54.21 1fex n HIS 56 Cb 0.26 1.38 0.00 0.00 0.12 0.00 0.00 29.99 31.74 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 -1.01 0.95 -4.56 2.39 4.77 -0.85 -4.87 117.00 113.82 1fex n LEU 57 Ca -0.13 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.65 1fex n LEU 57 Cb 0.79 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1fex n LEU 57 CO -0.11 -0.74 1.76 -1.14 -1.33 0.00 0.00 177.39 175.83 1fex n ARG 58 N -3.43 2.42 0.00 3.23 0.00 -0.40 -5.05 116.66 113.43 1fex n ARG 58 Ca 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 57.85 54.97 1fex n ARG 58 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 32.46 28.86 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04