#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 0.00 0.00 1.61 0.63 -1.26 -3.59 116.66 114.05 1fex n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1fex n ARG 2 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1fex n ARG 2 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1fex n ILE 3 N 0.00 0.00 -3.03 5.15 -6.64 -1.26 -4.91 119.36 108.67 1fex n ILE 3 Ca 0.00 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.97 1fex n ILE 3 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fex n ALA 4 N -0.10 -2.53 -2.97 -1.28 0.00 -1.26 -4.99 120.51 107.38 1fex n ALA 4 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 1fex n ALA 4 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 18.74 1fex n ALA 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1fex n PHE 5 N 1.06 -1.47 -0.67 0.00 3.72 -1.26 -5.03 117.46 113.81 1fex n PHE 5 Ca -0.00 -2.90 -0.19 0.00 -0.05 0.00 0.00 57.45 54.31 1fex n PHE 5 Cb 0.33 0.58 0.17 0.00 -0.94 0.00 0.00 39.48 39.62 1fex n PHE 5 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1fex n THR 6 N 0.69 0.00 0.04 4.37 5.66 -1.26 -4.62 114.28 119.16 1fex n THR 6 Ca 0.16 -0.23 0.02 0.00 -3.05 0.00 0.00 64.05 60.95 1fex n THR 6 Cb 0.65 -1.02 0.39 0.00 -1.55 0.00 0.00 70.33 68.80 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1fex h ASP 7 N -2.35 0.40 -0.11 1.09 3.32 -2.00 -1.70 116.42 115.07 1fex h ASP 7 Ca -0.26 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1fex h ASP 7 Cb 0.82 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1fex h ASP 7 CO 0.17 0.40 0.02 0.00 -1.72 0.00 0.00 179.24 178.11 1fex h ALA 8 N 1.66 1.68 0.12 3.45 0.00 -1.99 -0.17 119.26 124.01 1fex h ALA 8 Ca 0.11 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1fex h ALA 8 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fex h ALA 8 CO -0.00 0.25 -1.41 -0.44 0.00 0.00 0.00 179.25 177.64 1fex h ASP 9 N 0.27 0.39 -0.29 0.00 5.19 -1.65 -2.83 116.42 117.52 1fex h ASP 9 Ca 0.07 -0.49 -0.10 0.00 -0.62 0.00 0.00 57.03 55.88 1fex h ASP 9 Cb 0.16 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1fex h ASP 9 CO 0.00 1.40 -0.22 0.44 -3.12 0.00 0.00 179.24 177.74 1fex h ASP 10 N 0.07 0.69 0.21 6.45 3.32 -0.91 0.17 116.42 126.42 1fex h ASP 10 Ca -0.20 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.28 1fex h ASP 10 Cb 2.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 1fex h ASP 10 CO 0.18 0.99 -0.47 0.58 -1.72 0.00 0.00 179.24 178.80 1fex h VAL 11 N 0.39 1.33 -0.06 -1.35 2.07 -1.16 0.86 116.25 118.33 1fex h VAL 11 Ca 0.05 -1.66 -0.18 0.00 0.82 0.00 0.00 66.70 65.74 1fex h VAL 11 Cb 0.77 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1fex h VAL 11 CO 0.06 0.50 -0.65 0.00 0.02 0.00 0.00 177.57 177.49 1fex h ALA 12 N 1.26 0.15 -0.00 1.67 0.00 -1.41 -1.05 119.26 119.88 1fex h ALA 12 Ca 0.02 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1fex h ALA 12 Cb 0.92 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1fex h ALA 12 CO 0.08 0.45 -0.72 0.82 0.00 0.00 0.00 179.25 179.87 1fex h ILE 13 N 0.13 1.51 0.12 0.00 2.04 -0.93 -2.62 117.51 117.75 1fex h ILE 13 Ca -0.07 -2.45 -0.01 0.00 1.00 0.00 0.00 64.86 63.34 1fex h ILE 13 Cb 1.32 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1fex h ILE 13 CO 0.13 0.70 -0.06 0.25 0.00 0.00 0.00 178.15 179.18 1fex h LEU 14 N 0.02 -0.13 -1.41 1.44 5.85 -0.85 -2.23 115.31 118.00 1fex h LEU 14 Ca -0.01 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1fex h LEU 14 Cb 1.28 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1fex h LEU 14 CO 0.10 0.46 0.54 0.74 -0.34 0.00 0.00 178.44 179.94 1fex h THR 15 N -0.98 0.83 0.03 1.05 2.02 -1.29 0.33 112.91 114.90 1fex h THR 15 Ca -0.02 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1fex h THR 15 Cb 0.40 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1fex h THR 15 CO 0.03 0.11 -0.02 0.22 0.37 0.00 0.00 175.52 176.23 1fex h TYR 16 N 0.58 -0.04 -0.26 3.16 5.03 -1.54 -2.56 116.97 121.34 1fex h TYR 16 Ca 0.41 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.71 1fex h TYR 16 Cb 0.76 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 1fex h TYR 16 CO -0.00 0.44 0.10 0.28 -1.32 0.00 0.00 178.16 177.66 1fex h VAL 17 N -0.54 1.18 -0.02 1.81 2.07 -0.73 -1.93 116.25 118.09 1fex h VAL 17 Ca -0.00 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1fex h VAL 17 Cb 0.50 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1fex h VAL 17 CO 0.01 0.18 0.05 0.50 0.02 0.00 0.00 177.57 178.33 1fex h LYS 18 N 0.27 0.00 0.00 1.57 1.63 -0.42 0.61 116.57 120.24 1fex h LYS 18 Ca 0.09 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.67 1fex h LYS 18 Cb 0.19 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 1fex h LYS 18 CO -0.01 0.00 -1.48 0.93 -3.45 0.00 0.00 179.45 175.44 1fex h GLU 19 N 0.00 0.00 0.00 1.90 5.08 -0.96 -3.43 114.58 117.17 1fex h GLU 19 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1fex h GLU 19 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1fex h GLU 19 CO -0.00 0.42 -0.26 0.09 -1.00 0.00 0.00 179.01 178.26 1fex n ASN 20 N -2.99 1.25 -4.64 1.42 3.02 -0.60 -5.01 115.26 107.71 1fex n ASN 20 Ca -0.12 0.18 -0.55 0.00 -0.03 0.00 0.00 54.58 54.06 1fex n ASN 20 Cb 0.93 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.61 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 -3.68 -0.81 0.00 5.41 0.00 0.20 -4.62 120.51 117.01 1fex n ALA 21 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1fex n ALA 21 Cb 0.14 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 3.62 0.00 -2.42 0.00 0.00 -1.26 -4.64 116.66 111.96 1fex n ARG 22 Ca 0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.78 1fex n ARG 22 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.62 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1fex s SER 23 N -1.31 6.26 -0.95 6.15 1.04 -1.26 -4.93 113.70 118.69 1fex s SER 23 Ca 0.00 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 1fex s SER 23 Cb 0.00 -2.31 -0.10 0.00 0.10 0.00 0.00 66.02 63.71 1fex s SER 23 CO 0.00 -0.66 2.06 -0.81 0.98 0.00 0.00 173.24 174.81 1fex n PRO 24 N -2.39 1.95 0.00 4.02 -0.04 -1.26 -3.35 135.00 133.93 1fex n PRO 24 Ca 0.02 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1fex n PRO 24 Cb 0.55 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 6.34 0.00 -0.16 3.54 2.88 -1.26 -4.85 113.62 120.11 1fex n SER 25 Ca 0.50 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.00 1fex n SER 25 Cb 0.33 0.11 0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1fex h SER 26 N 0.00 0.29 1.53 -3.46 0.02 -1.91 0.87 113.55 110.89 1fex h SER 26 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1fex h SER 26 Cb 0.00 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1fex h SER 26 CO 0.00 0.21 -0.48 -0.37 -1.14 0.00 0.00 176.83 175.05 1fex h VAL 27 N 0.43 0.17 0.00 2.27 -1.51 -1.93 -3.31 116.25 112.37 1fex h VAL 27 Ca 0.22 -1.27 -0.11 0.00 -1.23 0.00 0.00 66.70 64.31 1fex h VAL 27 Cb 0.16 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 1fex h VAL 27 CO -0.18 0.10 -1.18 0.74 -1.23 0.00 0.00 177.57 175.82 1fex h THR 28 N 0.00 0.39 -3.47 7.19 2.02 -1.75 -3.47 112.91 113.82 1fex h THR 28 Ca -0.01 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1fex h THR 28 Cb 1.11 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1fex h THR 28 CO 0.01 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.74 1fex n GLY 29 N 1.32 1.95 0.55 2.16 0.00 0.30 -5.02 105.19 106.43 1fex n GLY 29 Ca -0.06 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.40 1.76 -0.05 1.61 5.03 -1.26 -4.80 115.26 116.14 1fex n ASN 30 Ca 0.00 -3.57 -0.03 0.00 0.87 0.00 0.00 54.58 51.84 1fex n ASN 30 Cb 0.00 -0.49 -0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fex h ALA 31 N 0.77 0.00 -0.68 5.41 0.00 -1.88 -3.06 119.26 119.82 1fex h ALA 31 Ca -0.02 -0.44 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1fex h ALA 31 Cb 1.07 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1fex h ALA 31 CO 0.01 0.38 0.47 1.25 0.00 0.00 0.00 179.25 181.36 1fex h LEU 32 N -0.76 0.18 0.10 0.00 5.85 -1.88 0.29 115.31 119.09 1fex h LEU 32 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1fex h LEU 32 Cb 0.38 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1fex h LEU 32 CO 0.00 0.09 -0.05 -0.50 -0.34 0.00 0.00 178.44 177.64 1fex h TRP 33 N 0.19 -0.12 -0.88 1.25 4.06 -1.80 -2.73 115.95 115.91 1fex h TRP 33 Ca 0.33 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1fex h TRP 33 Cb 1.02 0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 29.18 1fex h TRP 33 CO -0.00 0.39 0.57 0.87 -3.56 0.00 0.00 178.44 176.71 1fex h LYS 34 N -0.84 1.18 -0.43 0.49 1.79 -1.29 -1.88 116.57 115.58 1fex h LYS 34 Ca -0.01 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1fex h LYS 34 Cb 0.57 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1fex h LYS 34 CO 0.02 0.80 0.29 0.00 -1.08 0.00 0.00 179.45 179.48 1fex h ALA 35 N 1.31 1.70 -0.43 3.86 0.00 -0.52 -2.31 119.26 122.88 1fex h ALA 35 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1fex h ALA 35 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1fex h ALA 35 CO -0.07 0.28 0.20 1.98 0.00 0.00 0.00 179.25 181.65 1fex h MET 36 N 0.58 0.62 0.00 0.00 1.85 -1.01 0.42 114.93 117.38 1fex h MET 36 Ca 0.16 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1fex h MET 36 Cb -0.06 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 31.86 1fex h MET 36 CO -0.03 0.54 -0.08 1.49 -0.40 0.00 0.00 176.91 178.42 1fex h GLU 37 N 0.55 0.00 0.05 0.39 4.22 -1.31 -1.81 114.58 116.66 1fex h GLU 37 Ca 0.15 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.31 1fex h GLU 37 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1fex h GLU 37 CO -0.02 0.08 -1.49 0.87 -2.18 0.00 0.00 179.01 176.27 1fex h LYS 38 N 0.00 0.10 0.00 1.92 1.57 -1.17 -3.43 116.57 115.56 1fex h LYS 38 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1fex h LYS 38 Cb 0.19 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fex h LYS 38 CO 0.01 1.08 0.00 -1.13 -0.57 0.00 0.00 179.45 178.84 1fex n SER 39 N -4.12 0.00 -3.67 0.86 3.41 0.14 -4.90 113.62 105.34 1fex n SER 39 Ca -0.32 0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 58.92 1fex n SER 39 Cb 0.81 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fex s SER 40 N -2.17 -0.38 0.29 4.04 0.15 -0.69 -5.07 113.70 109.87 1fex s SER 40 Ca 0.00 0.95 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 1fex s SER 40 Cb 0.00 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.39 1fex s SER 40 CO 0.00 -0.21 0.52 -0.22 1.20 0.00 0.00 173.24 174.53 1fex s LEU 41 N 2.04 0.46 0.00 3.45 0.20 -1.23 -4.60 118.68 119.01 1fex s LEU 41 Ca -0.05 -1.11 0.00 0.00 0.69 0.00 0.00 54.13 53.66 1fex s LEU 41 Cb -0.10 1.84 0.00 0.00 -0.43 0.00 0.00 46.19 47.49 1fex s LEU 41 CO -0.13 -1.26 0.00 0.35 -0.29 0.00 0.00 176.35 175.02 1fex n THR 42 N -0.45 0.00 -2.72 3.68 -2.24 -1.26 -4.99 114.28 106.30 1fex n THR 42 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1fex n THR 42 Cb 0.61 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1fex n THR 42 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1fex n GLN 43 N -0.81 0.69 -4.05 -0.78 7.27 -1.26 -5.15 117.38 113.29 1fex n GLN 43 Ca 0.00 -1.52 -0.12 0.00 0.07 0.00 0.00 57.00 55.43 1fex n GLN 43 Cb 0.00 -0.96 -0.05 0.00 2.41 0.00 0.00 30.24 31.64 1fex n GLN 43 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1fex s HIS 44 N 0.38 0.76 0.11 3.69 3.76 -1.26 -5.15 115.29 117.58 1fex s HIS 44 Ca 0.26 -1.06 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1fex s HIS 44 Cb 0.26 0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.93 1fex s HIS 44 CO -0.15 -1.07 0.38 -1.54 -0.85 0.00 0.00 174.74 171.51 1fex s SER 45 N -3.14 6.53 0.51 1.40 1.04 -1.26 -4.96 113.70 113.82 1fex s SER 45 Ca 0.27 0.65 0.28 0.00 0.48 0.00 0.00 55.95 57.64 1fex s SER 45 Cb -0.00 -2.12 1.39 0.00 0.10 0.00 0.00 66.02 65.39 1fex s SER 45 CO 0.15 0.10 1.87 4.11 0.98 0.00 0.00 173.24 180.45 1fex h TRP 46 N 3.17 0.15 -0.50 5.02 5.08 -1.93 0.73 115.95 127.66 1fex h TRP 46 Ca -0.47 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.41 1fex h TRP 46 Cb 1.18 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 1fex h TRP 46 CO 0.63 0.03 -0.04 0.37 -1.28 0.00 0.00 178.44 178.16 1fex h GLN 47 N 0.10 0.90 0.60 0.12 4.15 -1.91 -1.88 115.11 117.19 1fex h GLN 47 Ca 0.45 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1fex h GLN 47 Cb 1.62 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1fex h GLN 47 CO -0.06 0.95 -0.33 1.03 -1.93 0.00 0.00 178.83 178.49 1fex h SER 48 N 0.76 -0.82 -0.03 -0.69 0.87 -0.91 0.18 113.55 112.91 1fex h SER 48 Ca 0.14 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1fex h SER 48 Cb 0.57 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1fex h SER 48 CO 0.03 -0.53 0.16 0.17 -0.53 0.00 0.00 176.83 176.14 1fex h LEU 49 N -0.86 0.00 0.06 2.23 -0.00 -1.59 0.24 115.31 115.39 1fex h LEU 49 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 1fex h LEU 49 Cb 0.68 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1fex h LEU 49 CO 0.11 0.00 -0.43 0.50 -0.00 0.00 0.00 178.44 178.62 1fex h LYS 50 N 0.00 0.17 -0.24 0.17 3.11 -0.63 -3.00 116.57 116.16 1fex h LYS 50 Ca 0.01 -0.27 -0.08 0.00 -2.81 0.00 0.00 60.65 57.50 1fex h LYS 50 Cb 0.34 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1fex h LYS 50 CO -0.00 1.10 -0.21 0.22 -2.81 0.00 0.00 179.45 177.75 1fex h ASP 51 N -0.61 0.43 -0.51 4.20 3.58 0.41 -2.78 116.42 121.13 1fex h ASP 51 Ca -0.07 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 1fex h ASP 51 Cb 1.30 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 1fex h ASP 51 CO 0.08 0.65 0.03 -0.09 -2.88 0.00 0.00 179.24 177.03 1fex h ARG 52 N 0.39 0.93 -0.73 0.28 1.12 -1.08 0.40 114.38 115.69 1fex h ARG 52 Ca 0.06 -0.26 0.02 0.00 -1.11 0.00 0.00 59.98 58.69 1fex h ARG 52 Cb 0.59 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.41 1fex h ARG 52 CO 0.04 0.90 0.48 -0.92 -3.11 0.00 0.00 179.97 177.36 1fex h TYR 53 N 0.87 0.90 0.00 2.20 3.20 -1.34 -2.30 116.97 120.51 1fex h TYR 53 Ca 0.17 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 1fex h TYR 53 Cb 0.46 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1fex h TYR 53 CO 0.03 0.55 -0.75 -0.07 -1.64 0.00 0.00 178.16 176.28 1fex h LEU 54 N 0.96 0.00 -0.19 2.82 3.38 -1.43 0.26 115.31 121.11 1fex h LEU 54 Ca 0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.28 1fex h LEU 54 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1fex h LEU 54 CO -0.08 0.51 -0.01 0.11 0.09 0.00 0.00 178.44 179.06 1fex h LYS 55 N 0.00 0.04 0.00 1.13 1.79 0.36 -3.42 116.57 116.48 1fex h LYS 55 Ca -0.05 -0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.27 1fex h LYS 55 Cb 1.43 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.95 1fex h LYS 55 CO 0.06 0.03 -0.08 -2.39 -1.08 0.00 0.00 179.45 175.99 1fex n HIS 56 N -5.15 -1.39 0.00 -1.35 1.44 -1.10 -4.99 115.22 102.69 1fex n HIS 56 Ca -0.03 -1.28 0.00 0.00 -2.01 0.00 0.00 57.72 54.40 1fex n HIS 56 Cb 0.11 1.37 0.00 0.00 0.12 0.00 0.00 29.99 31.59 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 -0.58 0.25 -0.08 2.39 4.77 -0.87 -4.93 117.00 117.96 1fex n LEU 57 Ca -0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1fex n LEU 57 Cb 0.74 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1fex n LEU 57 CO -0.10 -0.20 -0.24 -0.09 -1.33 0.00 0.00 177.39 175.43 1fex h ARG 58 N 0.00 0.00 0.00 3.23 2.43 -1.27 -3.50 114.38 115.27 1fex h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fex h ARG 58 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1fex h ARG 58 CO 0.00 0.37 0.00 0.41 -1.51 0.00 0.00 179.97 179.24