#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 1.38 -4.38 1.61 1.74 -1.26 -5.12 116.66 110.63 1fex n ARG 2 Ca 0.00 -0.53 -0.19 0.00 -0.77 0.00 0.00 57.85 56.36 1fex n ARG 2 Cb 0.00 0.06 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 1fex n ARG 2 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fex s ILE 3 N -0.43 0.98 0.85 0.55 1.01 -1.26 -5.13 121.20 117.77 1fex s ILE 3 Ca 0.05 -2.01 -0.12 0.00 0.00 0.00 0.00 60.65 58.56 1fex s ILE 3 Cb -0.00 -2.61 0.09 0.00 0.01 0.00 0.00 42.46 39.95 1fex s ILE 3 CO 0.03 -0.10 1.10 0.00 0.00 0.00 0.00 174.94 175.97 1fex n ALA 4 N -0.55 -0.49 -3.27 9.38 0.00 -1.26 -5.01 120.51 119.31 1fex n ALA 4 Ca -0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1fex n ALA 4 Cb 0.66 -2.19 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.28 0.52 0.93 0.00 0.08 -1.26 -5.07 117.98 110.91 1fex s PHE 5 Ca 0.70 -1.93 -0.15 0.00 0.12 0.00 0.00 56.93 55.67 1fex s PHE 5 Cb -0.27 -0.67 0.18 0.00 -0.57 0.00 0.00 43.02 41.70 1fex s PHE 5 CO 0.54 -0.92 1.29 0.95 -0.10 0.00 0.00 175.22 176.99 1fex s THR 6 N 0.28 2.01 0.21 0.64 -4.23 -1.26 -4.88 115.64 108.41 1fex s THR 6 Ca 0.31 -0.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1fex s THR 6 Cb 0.02 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 71.02 1fex s THR 6 CO -0.16 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.20 1fex h ASP 7 N -1.53 0.90 -0.33 3.99 5.19 -2.00 -1.95 116.42 120.69 1fex h ASP 7 Ca -0.44 -0.07 0.08 0.00 -0.62 0.00 0.00 57.03 55.97 1fex h ASP 7 Cb 1.25 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1fex h ASP 7 CO 0.42 0.71 0.23 0.00 -3.12 0.00 0.00 179.24 177.48 1fex h ALA 8 N 1.23 2.18 0.12 3.45 0.00 -1.99 -1.97 119.26 122.28 1fex h ALA 8 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1fex h ALA 8 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fex h ALA 8 CO -0.05 -0.26 -0.06 -0.44 0.00 0.00 0.00 179.25 178.45 1fex h ASP 9 N 0.10 -0.13 -0.60 0.00 5.19 -1.71 -0.11 116.42 119.16 1fex h ASP 9 Ca 0.15 -0.38 0.05 0.00 -0.62 0.00 0.00 57.03 56.23 1fex h ASP 9 Cb 0.48 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 1fex h ASP 9 CO -0.02 0.35 0.40 0.44 -3.12 0.00 0.00 179.24 177.29 1fex h ASP 10 N -0.66 0.53 0.64 6.45 5.19 -1.29 0.37 116.42 127.64 1fex h ASP 10 Ca -0.02 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.18 1fex h ASP 10 Cb 0.51 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1fex h ASP 10 CO 0.03 0.35 -0.94 0.58 -3.12 0.00 0.00 179.24 176.14 1fex h VAL 11 N 0.61 1.52 -0.26 -1.35 2.07 -1.34 -1.88 116.25 115.62 1fex h VAL 11 Ca 0.25 -2.78 -0.11 0.00 0.82 0.00 0.00 66.70 64.89 1fex h VAL 11 Cb 0.23 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1fex h VAL 11 CO -0.07 0.81 -0.28 0.00 0.02 0.00 0.00 177.57 178.05 1fex h ALA 12 N 0.93 0.38 -0.13 1.67 0.00 0.22 -2.05 119.26 120.27 1fex h ALA 12 Ca -0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1fex h ALA 12 Cb 1.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1fex h ALA 12 CO 0.14 0.38 -0.51 0.82 0.00 0.00 0.00 179.25 180.08 1fex h ILE 13 N 0.36 1.34 0.75 0.00 1.08 -1.03 -2.77 117.51 117.24 1fex h ILE 13 Ca 0.04 -1.76 -0.04 0.00 -0.39 0.00 0.00 64.86 62.71 1fex h ILE 13 Cb 0.84 1.80 0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1fex h ILE 13 CO 0.07 0.53 -0.36 0.25 -0.69 0.00 0.00 178.15 177.95 1fex h LEU 14 N 0.28 -0.85 -1.58 1.44 5.85 -1.26 0.27 115.31 119.46 1fex h LEU 14 Ca 0.01 0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.97 1fex h LEU 14 Cb 1.00 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1fex h LEU 14 CO 0.09 -0.48 0.60 0.74 -0.34 0.00 0.00 178.44 179.04 1fex h THR 15 N -1.25 0.66 0.09 1.05 2.02 -1.43 0.63 112.91 114.67 1fex h THR 15 Ca -0.10 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1fex h THR 15 Cb 0.77 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1fex h THR 15 CO 0.17 0.06 -0.04 0.22 0.37 0.00 0.00 175.52 176.30 1fex h TYR 16 N 0.34 -0.11 -0.68 3.16 5.03 -1.36 -2.98 116.97 120.38 1fex h TYR 16 Ca 0.46 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.75 1fex h TYR 16 Cb 1.25 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.53 1fex h TYR 16 CO -0.00 0.38 0.36 0.28 -1.32 0.00 0.00 178.16 177.86 1fex h VAL 17 N -0.92 1.21 -0.86 1.81 2.07 0.12 -1.76 116.25 117.92 1fex h VAL 17 Ca -0.01 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1fex h VAL 17 Cb 0.54 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1fex h VAL 17 CO 0.02 0.24 0.57 0.50 0.02 0.00 0.00 177.57 178.91 1fex h LYS 18 N 0.93 0.98 0.38 1.57 3.64 0.14 0.89 116.57 125.10 1fex h LYS 18 Ca 0.24 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1fex h LYS 18 Cb 0.05 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1fex h LYS 18 CO -0.04 0.65 -0.18 0.93 -2.27 0.00 0.00 179.45 178.54 1fex h GLU 19 N 1.00 -0.49 0.04 1.90 4.39 -1.28 -3.41 114.58 116.74 1fex h GLU 19 Ca 0.36 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1fex h GLU 19 Cb 0.15 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1fex h GLU 19 CO -0.13 -0.30 -0.02 -0.91 -1.16 0.00 0.00 179.01 176.49 1fex h ASN 20 N -1.12 -0.05 -2.09 1.42 2.35 -1.25 -3.44 115.58 111.40 1fex h ASN 20 Ca -0.05 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.12 1fex h ASN 20 Cb 0.42 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.81 1fex h ASN 20 CO 0.09 0.23 1.27 0.00 -1.65 0.00 0.00 177.43 177.37 1fex n ALA 21 N -2.45 1.40 0.00 -0.83 0.00 0.31 -4.52 120.51 114.42 1fex n ALA 21 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1fex n ALA 21 Cb 0.02 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 7.63 0.00 -2.18 0.00 5.12 -1.26 -4.25 116.66 121.71 1fex n ARG 22 Ca 0.24 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.90 1fex n ARG 22 Cb 0.37 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.75 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 -1.33 4.72 -1.27 0.55 1.04 -1.26 -4.93 113.70 111.22 1fex s SER 23 Ca 0.00 0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.77 1fex s SER 23 Cb 0.00 -1.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.00 1fex s SER 23 CO 0.00 -1.67 2.44 -0.81 0.98 0.00 0.00 173.24 174.18 1fex n PRO 24 N -2.98 2.77 0.07 4.02 -0.04 -1.26 -3.69 135.00 133.89 1fex n PRO 24 Ca 0.08 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1fex n PRO 24 Cb 0.60 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1fex n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fex n SER 25 N 4.74 -1.06 0.00 3.54 3.41 -1.26 -4.85 113.62 118.13 1fex n SER 25 Ca 0.60 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1fex n SER 25 Cb 0.25 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1fex n SER 25 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1fex n SER 26 N -2.79 0.00 0.27 4.04 7.64 -1.24 0.11 113.62 121.65 1fex n SER 26 Ca 0.00 0.83 0.17 0.00 1.01 0.00 0.00 58.87 60.88 1fex n SER 26 Cb 0.00 -0.38 0.92 0.00 -1.01 0.00 0.00 64.21 63.74 1fex n SER 26 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1fex h VAL 27 N 0.00 0.39 0.00 0.44 -1.51 -1.93 -0.83 116.25 112.82 1fex h VAL 27 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.38 1fex h VAL 27 Cb 0.00 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1fex h VAL 27 CO 0.00 0.00 -0.95 0.74 -1.23 0.00 0.00 177.57 176.13 1fex h THR 28 N 0.00 0.36 -3.31 7.19 2.02 -1.82 -3.47 112.91 113.88 1fex h THR 28 Ca 0.03 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1fex h THR 28 Cb 0.24 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1fex h THR 28 CO -0.00 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.71 1fex n GLY 29 N 1.26 3.59 0.96 2.16 0.00 0.30 -4.97 105.19 108.49 1fex n GLY 29 Ca -0.03 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.71 1.40 -0.10 1.61 3.02 -1.26 -4.82 115.26 114.40 1fex n ASN 30 Ca 0.00 -3.07 -0.18 0.00 -0.03 0.00 0.00 54.58 51.30 1fex n ASN 30 Cb 0.00 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.44 0.72 -0.12 5.41 0.00 -1.26 -2.66 120.51 122.17 1fex n ALA 31 Ca 0.13 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 53.11 1fex n ALA 31 Cb 0.88 -0.35 0.38 0.00 0.00 0.00 0.00 19.45 20.36 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 0.59 -0.02 0.00 5.85 -1.88 -0.65 115.31 118.21 1fex h LEU 32 Ca -0.27 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.26 1fex h LEU 32 Cb 1.11 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1fex h LEU 32 CO -0.17 0.40 -0.69 -0.50 -0.34 0.00 0.00 178.44 177.14 1fex h TRP 33 N 0.68 0.73 -0.98 1.25 4.06 -1.88 -3.11 115.95 116.70 1fex h TRP 33 Ca 0.25 -0.39 0.05 0.00 2.06 0.00 0.00 58.89 60.86 1fex h TRP 33 Cb 0.14 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.16 1fex h TRP 33 CO -0.00 1.20 0.64 0.87 -3.56 0.00 0.00 178.44 177.59 1fex h LYS 34 N 0.05 1.17 -0.53 0.49 1.57 -1.16 -1.99 116.57 116.17 1fex h LYS 34 Ca -0.08 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1fex h LYS 34 Cb 1.38 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1fex h LYS 34 CO 0.14 0.77 0.35 0.00 -0.57 0.00 0.00 179.45 180.14 1fex h ALA 35 N 1.42 0.67 -0.73 3.86 0.00 -1.16 -2.40 119.26 120.92 1fex h ALA 35 Ca 0.40 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1fex h ALA 35 Cb 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1fex h ALA 35 CO -0.14 0.10 0.47 0.52 0.00 0.00 0.00 179.25 180.20 1fex h MET 36 N 0.71 0.91 -0.90 0.00 2.86 -1.31 -0.14 114.93 117.06 1fex h MET 36 Ca 0.20 -0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.94 1fex h MET 36 Cb -0.07 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 31.31 1fex h MET 36 CO -0.05 0.60 0.58 1.49 1.06 0.00 0.00 176.91 180.59 1fex h GLU 37 N 0.93 0.62 -0.01 1.72 4.81 -0.92 0.57 114.58 122.30 1fex h GLU 37 Ca 0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1fex h GLU 37 Cb -0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1fex h GLU 37 CO -0.09 0.41 -0.45 0.36 -0.73 0.00 0.00 179.01 178.51 1fex n LYS 38 N -4.57 0.82 -2.70 1.92 2.85 -0.78 -4.66 118.16 111.03 1fex n LYS 38 Ca 0.18 -0.60 -0.06 0.00 -1.05 0.00 0.00 58.31 56.78 1fex n LYS 38 Cb 0.52 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.50 1fex n LYS 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1fex n SER 39 N -0.57 -1.97 -4.90 -5.58 2.88 -0.01 -5.11 113.62 98.37 1fex n SER 39 Ca 0.10 -2.75 -0.22 0.00 -1.33 0.00 0.00 58.87 54.66 1fex n SER 39 Cb 0.39 1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 65.31 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1fex s SER 40 N -0.89 4.95 0.20 -3.46 0.15 0.18 -4.54 113.70 110.29 1fex s SER 40 Ca 0.25 -0.88 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 1fex s SER 40 Cb 0.26 -0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.50 1fex s SER 40 CO -0.14 -0.85 1.54 0.25 1.20 0.00 0.00 173.24 175.23 1fex h LEU 41 N 0.85 0.66 0.00 3.45 6.46 -1.95 -3.46 115.31 121.32 1fex h LEU 41 Ca -0.39 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1fex h LEU 41 Cb 1.28 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1fex h LEU 41 CO 0.55 1.03 0.00 0.41 -0.62 0.00 0.00 178.44 179.81 1fex n THR 42 N -4.00 0.00 -3.94 1.05 -1.04 -1.26 -5.11 114.28 99.97 1fex n THR 42 Ca -0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 1fex n THR 42 Cb 0.56 -0.11 -0.15 0.00 -1.82 0.00 0.00 70.33 68.81 1fex n THR 42 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1fex s GLN 43 N 2.07 1.47 0.11 -2.82 -0.21 -1.26 -5.02 119.66 114.01 1fex s GLN 43 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 55.36 53.90 1fex s GLN 43 Cb 0.00 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.32 1fex s GLN 43 CO 0.00 -0.78 0.34 -1.01 -2.12 0.00 0.00 175.29 171.72 1fex s HIS 44 N 1.24 -0.11 0.23 0.91 3.76 -1.26 -5.00 115.29 115.06 1fex s HIS 44 Ca 0.02 -0.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.47 1fex s HIS 44 Cb -0.19 0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.59 1fex s HIS 44 CO -0.10 -0.65 0.80 -1.54 -0.85 0.00 0.00 174.74 172.39 1fex s SER 45 N -2.79 7.25 0.37 1.40 1.04 -1.26 -4.45 113.70 115.26 1fex s SER 45 Ca 0.03 1.61 0.14 0.00 0.48 0.00 0.00 55.95 58.21 1fex s SER 45 Cb 0.03 -2.49 1.00 0.00 0.10 0.00 0.00 66.02 64.65 1fex s SER 45 CO -0.11 0.07 1.77 4.11 0.98 0.00 0.00 173.24 180.06 1fex h TRP 46 N 3.68 0.78 -0.19 5.02 5.08 -1.91 -1.14 115.95 127.28 1fex h TRP 46 Ca -0.47 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.45 1fex h TRP 46 Cb 1.20 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 27.12 1fex h TRP 46 CO 0.63 0.10 -0.16 0.37 -1.28 0.00 0.00 178.44 178.11 1fex h GLN 47 N 0.50 0.44 -0.30 0.12 4.15 -1.92 -2.34 115.11 115.74 1fex h GLN 47 Ca 0.59 -0.22 0.09 0.00 0.77 0.00 0.00 58.65 59.88 1fex h GLN 47 Cb 1.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1fex h GLN 47 CO -0.33 0.78 0.28 1.03 -1.93 0.00 0.00 178.83 178.66 1fex h SER 48 N 0.10 0.00 0.63 -0.69 0.87 -1.60 0.13 113.55 112.99 1fex h SER 48 Ca 0.03 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 1fex h SER 48 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1fex h SER 48 CO 0.04 0.00 -1.40 -0.07 -0.53 0.00 0.00 176.83 174.87 1fex h LEU 49 N 0.00 0.20 -0.14 2.23 3.38 -1.28 -3.01 115.31 116.69 1fex h LEU 49 Ca 0.14 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1fex h LEU 49 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1fex h LEU 49 CO -0.00 1.22 -0.37 0.50 0.09 0.00 0.00 178.44 179.88 1fex h LYS 50 N 0.03 0.49 -0.47 1.13 3.11 -0.49 -2.66 116.57 117.72 1fex h LYS 50 Ca -0.18 -0.34 -0.13 0.00 -2.81 0.00 0.00 60.65 57.19 1fex h LYS 50 Cb 1.94 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 33.21 1fex h LYS 50 CO 0.14 0.96 -0.20 0.22 -2.81 0.00 0.00 179.45 177.75 1fex h ASP 51 N 0.10 0.96 -0.05 4.20 3.58 -1.27 -2.99 116.42 120.94 1fex h ASP 51 Ca -0.01 -0.35 -0.08 0.00 0.42 0.00 0.00 57.03 57.01 1fex h ASP 51 Cb 0.98 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1fex h ASP 51 CO 0.08 1.13 -0.20 -0.09 -2.88 0.00 0.00 179.24 177.28 1fex h ARG 52 N 0.82 0.43 0.74 0.28 9.65 -1.57 0.77 114.38 125.50 1fex h ARG 52 Ca 0.11 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1fex h ARG 52 Cb 0.76 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1fex h ARG 52 CO 0.06 0.62 -0.35 -0.92 2.80 0.00 0.00 179.97 182.18 1fex h TYR 53 N 0.39 -0.92 0.00 2.20 3.20 -1.33 -2.82 116.97 117.70 1fex h TYR 53 Ca 0.07 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1fex h TYR 53 Cb 0.58 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1fex h TYR 53 CO 0.02 -0.55 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.82 1fex h LEU 54 N -1.07 0.00 -0.16 2.82 3.38 -1.54 -0.89 115.31 117.85 1fex h LEU 54 Ca -0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1fex h LEU 54 Cb 0.78 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1fex h LEU 54 CO 0.17 0.09 -0.04 0.11 0.09 0.00 0.00 178.44 178.86 1fex h LYS 55 N 0.00 0.00 0.00 1.13 1.79 -0.59 -3.42 116.57 115.49 1fex h LYS 55 Ca -0.00 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1fex h LYS 55 Cb 0.65 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.21 1fex h LYS 55 CO 0.01 0.00 -0.05 -2.39 -1.08 0.00 0.00 179.45 175.95 1fex n HIS 56 N -5.17 -1.03 0.00 -1.35 1.44 -1.15 -5.07 115.22 102.89 1fex n HIS 56 Ca -0.03 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 54.70 1fex n HIS 56 Cb 0.10 1.19 0.00 0.00 0.12 0.00 0.00 29.99 31.40 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 -0.61 0.00 -2.10 2.39 4.77 -0.37 -4.99 117.00 116.09 1fex n LEU 57 Ca -0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 1fex n LEU 57 Cb 0.70 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.76 1fex n LEU 57 CO -0.09 -0.14 -0.15 0.54 -1.33 0.00 0.00 177.39 176.22 1fex n ARG 58 N -1.41 -1.90 0.00 3.23 1.74 -1.03 -5.05 116.66 112.24 1fex n ARG 58 Ca 0.00 0.67 0.16 0.00 -0.77 0.00 0.00 57.85 57.90 1fex n ARG 58 Cb 0.00 -5.15 0.90 0.00 -1.02 0.00 0.00 32.46 27.19 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52