#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 0.51 -0.44 1.61 1.70 -1.26 -4.43 118.95 116.64 1fex s ARG 2 Ca 0.00 1.09 0.10 0.00 -0.47 0.00 0.00 55.73 56.45 1fex s ARG 2 Cb 0.00 0.25 0.34 0.00 -0.57 0.00 0.00 34.95 34.97 1fex s ARG 2 CO 0.00 -0.18 0.78 0.44 -1.08 0.00 0.00 175.30 175.26 1fex n ILE 3 N 4.70 0.78 -1.20 4.99 -0.00 -1.26 -5.11 119.36 122.25 1fex n ILE 3 Ca -0.17 -4.85 0.12 0.00 -0.00 0.00 0.00 62.75 57.85 1fex n ILE 3 Cb 0.54 -0.75 -0.03 0.00 -0.00 0.00 0.00 39.64 39.40 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 0.23 -2.91 -3.68 -1.28 0.00 -1.26 -4.71 120.51 106.90 1fex n ALA 4 Ca 0.27 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 1fex n ALA 4 Cb 0.57 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.66 2.92 0.66 0.00 0.40 -1.26 -5.11 117.98 113.92 1fex s PHE 5 Ca 0.00 -1.16 -0.03 0.00 -0.60 0.00 0.00 56.93 55.14 1fex s PHE 5 Cb 0.00 -2.05 0.07 0.00 0.51 0.00 0.00 43.02 41.54 1fex s PHE 5 CO 0.00 -0.63 0.93 0.99 0.70 0.00 0.00 175.22 177.21 1fex s THR 6 N 1.42 2.39 0.19 0.64 2.01 -1.26 -4.94 115.64 116.08 1fex s THR 6 Ca 0.05 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 1fex s THR 6 Cb -0.14 -2.91 0.11 0.00 0.01 0.00 0.00 72.50 69.57 1fex s THR 6 CO -0.06 0.00 1.82 0.44 -0.69 0.00 0.00 174.62 176.13 1fex h ASP 7 N -0.37 0.81 -0.15 3.53 3.32 -2.00 -1.83 116.42 119.73 1fex h ASP 7 Ca -0.42 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 56.60 1fex h ASP 7 Cb 1.30 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1fex h ASP 7 CO 0.52 0.64 0.15 0.00 -1.72 0.00 0.00 179.24 178.83 1fex h ALA 8 N 1.20 1.83 0.18 3.45 0.00 -2.00 -1.78 119.26 122.14 1fex h ALA 8 Ca 0.24 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.85 1fex h ALA 8 Cb -0.00 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1fex h ALA 8 CO -0.04 -0.22 -1.25 -0.44 0.00 0.00 0.00 179.25 177.30 1fex h ASP 9 N 0.00 0.79 -0.38 0.00 5.19 -1.71 -2.46 116.42 117.85 1fex h ASP 9 Ca 0.07 -0.89 -0.01 0.00 -0.62 0.00 0.00 57.03 55.58 1fex h ASP 9 Cb 0.36 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1fex h ASP 9 CO -0.00 1.61 0.20 0.44 -3.12 0.00 0.00 179.24 178.37 1fex h ASP 10 N 0.09 0.51 0.46 6.45 3.32 -1.03 0.29 116.42 126.51 1fex h ASP 10 Ca -0.21 -0.04 -0.29 0.00 0.02 0.00 0.00 57.03 56.51 1fex h ASP 10 Cb 1.96 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 41.40 1fex h ASP 10 CO 0.24 0.43 -1.31 0.58 -1.72 0.00 0.00 179.24 177.46 1fex h VAL 11 N 0.58 1.41 -0.07 -1.35 2.07 -1.52 -2.34 116.25 115.03 1fex h VAL 11 Ca 0.15 -2.88 -0.08 0.00 0.82 0.00 0.00 66.70 64.71 1fex h VAL 11 Cb 0.06 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1fex h VAL 11 CO -0.02 0.85 -0.26 0.00 0.02 0.00 0.00 177.57 178.15 1fex h ALA 12 N 0.43 0.12 -0.13 1.67 0.00 -1.03 -1.83 119.26 118.49 1fex h ALA 12 Ca -0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1fex h ALA 12 Cb 2.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1fex h ALA 12 CO 0.23 0.13 0.04 0.82 0.00 0.00 0.00 179.25 180.47 1fex h ILE 13 N -0.21 1.19 0.79 0.00 2.04 -0.57 0.44 117.51 121.19 1fex h ILE 13 Ca -0.01 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 1fex h ILE 13 Cb 0.90 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1fex h ILE 13 CO 0.06 0.18 -0.42 0.25 0.00 0.00 0.00 178.15 178.21 1fex h LEU 14 N 0.02 -1.02 -0.70 1.44 5.85 -1.49 0.54 115.31 119.94 1fex h LEU 14 Ca 0.04 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1fex h LEU 14 Cb 0.24 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1fex h LEU 14 CO -0.00 -0.68 0.41 0.74 -0.34 0.00 0.00 178.44 178.57 1fex h THR 15 N -1.11 1.02 -0.15 1.05 2.02 -1.36 0.53 112.91 114.92 1fex h THR 15 Ca -0.11 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1fex h THR 15 Cb 0.87 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1fex h THR 15 CO 0.15 0.14 -0.03 0.22 0.37 0.00 0.00 175.52 176.37 1fex h TYR 16 N 0.77 0.31 -0.10 3.16 5.03 -0.76 -1.99 116.97 123.39 1fex h TYR 16 Ca 0.30 -0.06 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 1fex h TYR 16 Cb 0.13 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1fex h TYR 16 CO -0.06 0.55 -0.38 0.28 -1.32 0.00 0.00 178.16 177.23 1fex h VAL 17 N -0.02 1.30 0.00 1.81 2.07 0.39 -2.70 116.25 119.10 1fex h VAL 17 Ca 0.04 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 1fex h VAL 17 Cb 0.45 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1fex h VAL 17 CO 0.01 0.43 -0.36 0.50 0.02 0.00 0.00 177.57 178.17 1fex h LYS 18 N 0.18 0.00 0.09 1.57 3.11 0.16 0.27 116.57 121.95 1fex h LYS 18 Ca 0.02 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.61 1fex h LYS 18 Cb 0.77 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.02 1fex h LYS 18 CO 0.06 0.36 -1.01 0.93 -2.81 0.00 0.00 179.45 176.98 1fex h GLU 19 N 0.00 0.52 0.00 1.90 4.39 -1.04 -3.42 114.58 116.93 1fex h GLU 19 Ca -0.00 -0.69 -0.16 0.00 0.34 0.00 0.00 59.36 58.85 1fex h GLU 19 Cb 0.93 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1fex h GLU 19 CO 0.05 1.29 -1.35 0.09 -1.16 0.00 0.00 179.01 177.92 1fex n ASN 20 N -3.96 1.20 -4.58 1.42 3.02 -1.09 -4.83 115.26 106.44 1fex n ASN 20 Ca -0.13 0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.42 1fex n ASN 20 Cb 0.88 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1fex n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex s ALA 21 N -2.34 0.98 0.00 5.41 0.00 0.94 -4.31 121.76 122.44 1fex s ALA 21 Ca -0.18 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1fex s ALA 21 Cb 0.06 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.49 1fex s ALA 21 CO 0.24 -6.23 0.00 -2.13 0.00 0.00 0.00 175.76 167.64 1fex n ARG 22 N 8.26 1.85 -2.95 0.00 0.63 -1.26 -4.44 116.66 118.75 1fex n ARG 22 Ca 0.43 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 57.13 1fex n ARG 22 Cb 0.47 -0.93 0.01 0.00 0.45 0.00 0.00 32.46 32.46 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 -3.25 5.78 -1.16 6.15 1.04 -1.26 -4.96 113.70 116.04 1fex s SER 23 Ca 0.00 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 1fex s SER 23 Cb 0.00 -1.47 -0.07 0.00 0.10 0.00 0.00 66.02 64.58 1fex s SER 23 CO 0.00 -0.74 2.30 -0.81 0.98 0.00 0.00 173.24 174.97 1fex n PRO 24 N -2.10 2.50 0.18 4.02 -0.04 -1.26 -3.85 135.00 134.44 1fex n PRO 24 Ca 0.02 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1fex n PRO 24 Cb 0.58 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 5.14 -2.55 0.02 3.54 3.41 -1.26 -4.85 113.62 117.07 1fex n SER 25 Ca 0.55 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.92 1fex n SER 25 Cb 0.26 2.48 0.34 0.00 -0.26 0.00 0.00 64.21 67.03 1fex n SER 25 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fex n SER 26 N -3.34 0.09 -0.01 4.04 3.41 -1.25 -1.60 113.62 114.97 1fex n SER 26 Ca 0.00 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 1fex n SER 26 Cb 0.00 -0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 63.25 1fex n SER 26 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1fex n VAL 27 N -1.60 0.14 -1.88 -3.33 0.24 -1.26 -3.86 118.33 106.78 1fex n VAL 27 Ca 0.03 -0.53 0.05 0.00 -2.04 0.00 0.00 64.34 61.86 1fex n VAL 27 Cb 0.18 -0.06 0.13 0.00 -1.47 0.00 0.00 33.84 32.63 1fex n VAL 27 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1fex n THR 28 N -2.32 1.33 -0.37 3.34 5.66 -1.10 -4.72 114.28 116.10 1fex n THR 28 Ca -0.06 -2.25 0.00 0.00 -3.05 0.00 0.00 64.05 58.69 1fex n THR 28 Cb 0.61 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fex n GLY 29 N -0.54 0.63 2.16 1.09 0.00 -0.63 -4.96 105.19 102.95 1fex n GLY 29 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.28 -3.98 -0.02 1.61 3.02 -1.26 -4.83 115.26 109.51 1fex n ASN 30 Ca 0.00 0.37 -0.02 0.00 -0.03 0.00 0.00 54.58 54.90 1fex n ASN 30 Cb 0.31 -3.65 -0.01 0.00 -0.61 0.00 0.00 39.78 35.83 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 0.67 0.15 0.21 5.41 0.00 -1.26 -3.00 120.51 122.69 1fex n ALA 31 Ca -0.15 -0.23 0.18 0.00 0.00 0.00 0.00 53.44 53.24 1fex n ALA 31 Cb 0.50 0.01 0.84 0.00 0.00 0.00 0.00 19.45 20.79 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 -0.32 0.00 0.06 0.00 5.85 -1.88 -1.34 115.31 117.68 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 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1fex h LEU 32 CO 0.00 0.00 -0.03 -0.50 -0.34 0.00 0.00 178.44 177.57 1fex h TRP 33 N 0.00 -0.08 -0.96 1.25 4.06 -1.78 -3.11 115.95 115.32 1fex h TRP 33 Ca 0.09 -0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.19 1fex h TRP 33 Cb 0.61 0.03 -0.09 0.00 -1.00 0.00 0.00 29.16 28.71 1fex h TRP 33 CO 0.00 0.19 0.61 0.87 -3.56 0.00 0.00 178.44 176.55 1fex h LYS 34 N -1.00 0.77 0.77 0.49 1.79 -1.35 -1.51 116.57 116.53 1fex h LYS 34 Ca -0.01 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1fex h LYS 34 Cb 0.31 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1fex h LYS 34 CO 0.01 0.51 -0.44 0.00 -1.08 0.00 0.00 179.45 178.45 1fex h ALA 35 N 1.59 -1.27 -0.02 3.86 0.00 -1.36 -2.25 119.26 119.82 1fex h ALA 35 Ca 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1fex h ALA 35 Cb 0.73 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fex h ALA 35 CO -0.27 -1.21 0.02 0.00 0.00 0.00 0.00 179.25 177.79 1fex h MET 36 N -1.13 0.00 -0.77 0.00 -0.00 -1.41 -0.95 114.93 110.68 1fex h MET 36 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1fex h MET 36 Cb 0.89 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.45 1fex h MET 36 CO 0.13 0.00 0.51 1.49 -0.00 0.00 0.00 176.91 179.03 1fex h GLU 37 N 0.00 0.91 -0.18 -0.10 4.22 -0.67 1.00 114.58 119.76 1fex h GLU 37 Ca 0.01 -0.05 -0.18 0.00 0.08 0.00 0.00 59.36 59.21 1fex h GLU 37 Cb 0.05 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1fex h GLU 37 CO -0.00 0.60 -0.61 0.87 -2.18 0.00 0.00 179.01 177.69 1fex h LYS 38 N 0.93 0.62 -1.35 1.92 1.57 -1.01 -3.40 116.57 115.85 1fex h LYS 38 Ca 0.31 -0.43 -0.35 0.00 -1.87 0.00 0.00 60.65 58.31 1fex h LYS 38 Cb 0.06 0.06 -0.25 0.00 0.08 0.00 0.00 32.23 32.18 1fex h LYS 38 CO -0.09 1.05 -0.72 0.45 -0.57 0.00 0.00 179.45 179.56 1fex n SER 39 N -3.94 -1.97 -5.02 0.86 2.88 -0.47 -5.14 113.62 100.80 1fex n SER 39 Ca -0.04 -2.80 -0.20 0.00 -1.33 0.00 0.00 58.87 54.49 1fex n SER 39 Cb 0.65 0.76 0.06 0.00 -0.75 0.00 0.00 64.21 64.92 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 -0.15 5.02 0.18 -3.46 0.15 0.34 -4.71 113.70 111.07 1fex s SER 40 Ca 0.32 -0.92 0.06 0.00 0.70 0.00 0.00 55.95 56.11 1fex s SER 40 Cb 0.08 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1fex s SER 40 CO -0.14 -1.35 1.41 0.25 1.20 0.00 0.00 173.24 174.61 1fex h LEU 41 N 0.21 0.09 0.00 3.45 5.85 -1.94 -3.46 115.31 119.51 1fex h LEU 41 Ca -0.30 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.13 1fex h LEU 41 Cb 1.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1fex h LEU 41 CO 0.42 0.89 -0.10 0.35 -0.34 0.00 0.00 178.44 179.67 1fex n THR 42 N -3.59 0.00 -3.77 1.05 -2.24 -1.26 -5.09 114.28 99.37 1fex n THR 42 Ca -0.02 -0.82 -0.36 0.00 -2.27 0.00 0.00 64.05 60.58 1fex n THR 42 Cb 0.80 -0.37 -0.11 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 -2.87 2.18 0.28 -0.78 -1.52 -1.26 -5.05 119.66 110.63 1fex s GLN 43 Ca 0.13 -2.12 -0.09 0.00 -1.95 0.00 0.00 55.36 51.33 1fex s GLN 43 Cb -0.01 -3.61 0.04 0.00 -0.22 0.00 0.00 33.01 29.21 1fex s GLN 43 CO 0.08 -1.11 0.53 0.72 -0.25 0.00 0.00 175.29 175.27 1fex n HIS 44 N 4.11 -1.85 -3.01 0.91 8.25 -1.26 -4.95 115.22 117.42 1fex n HIS 44 Ca 0.02 -1.40 -0.03 0.00 -0.26 0.00 0.00 57.72 56.05 1fex n HIS 44 Cb 0.40 0.62 0.01 0.00 1.12 0.00 0.00 29.99 32.14 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 -1.45 0.35 -0.09 0.41 3.41 -1.26 -4.81 113.62 110.18 1fex n SER 45 Ca -0.05 -1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 57.19 1fex n SER 45 Cb 0.43 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.20 0.00 0.28 7.33 4.27 -1.26 -4.23 117.44 122.62 1fex n TRP 46 Ca 0.03 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.47 1fex n TRP 46 Cb 0.10 -0.70 -0.09 0.00 -1.36 0.00 0.00 31.31 29.26 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 -0.89 -0.27 -2.67 4.15 -1.97 0.76 115.11 114.21 1fex h GLN 47 Ca -0.40 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.16 1fex h GLN 47 Cb 1.65 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 29.53 1fex h GLN 47 CO -0.06 -0.59 0.28 1.03 -1.93 0.00 0.00 178.83 177.56 1fex h SER 48 N -0.92 0.00 1.12 -0.69 0.87 -1.97 0.26 113.55 112.21 1fex h SER 48 Ca -0.06 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1fex h SER 48 Cb 0.79 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1fex h SER 48 CO -0.03 0.00 -0.91 0.25 -0.53 0.00 0.00 176.83 175.61 1fex h LEU 49 N 0.00 0.00 0.05 2.23 5.85 -1.36 -3.01 115.31 119.07 1fex h LEU 49 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1fex h LEU 49 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1fex h LEU 49 CO -0.00 0.77 -0.02 0.50 -0.34 0.00 0.00 178.44 179.34 1fex h LYS 50 N 0.00 -0.07 -0.92 1.25 3.11 0.39 -2.79 116.57 117.56 1fex h LYS 50 Ca -0.05 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1fex h LYS 50 Cb 1.63 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.82 1fex h LYS 50 CO 0.09 0.56 0.60 0.22 -2.81 0.00 0.00 179.45 178.11 1fex h ASP 51 N -0.84 0.98 -0.32 4.20 3.58 -1.42 -1.68 116.42 120.92 1fex h ASP 51 Ca -0.01 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 1fex h ASP 51 Cb 0.65 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1fex h ASP 51 CO 0.01 0.67 -0.04 -0.09 -2.88 0.00 0.00 179.24 176.91 1fex h ARG 52 N 1.13 0.69 -0.18 0.28 9.65 -1.60 0.75 114.38 125.10 1fex h ARG 52 Ca 0.37 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1fex h ARG 52 Cb 0.04 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1fex h ARG 52 CO -0.12 0.74 0.07 -0.92 2.80 0.00 0.00 179.97 182.54 1fex h TYR 53 N 0.65 0.25 0.00 2.20 3.20 -1.01 -2.04 116.97 120.21 1fex h TYR 53 Ca 0.12 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 1fex h TYR 53 Cb 0.46 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1fex h TYR 53 CO 0.02 0.21 -1.31 1.28 -1.64 0.00 0.00 178.16 176.72 1fex n LEU 54 N -4.45 0.86 -0.21 2.82 4.77 -0.89 0.32 117.00 120.21 1fex n LEU 54 Ca -0.00 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 1fex n LEU 54 Cb 0.12 0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1fex n LEU 54 CO 0.35 0.06 1.10 0.11 -1.33 0.00 0.00 177.39 177.68 1fex h LYS 55 N 0.00 0.71 0.00 3.23 1.57 -0.11 -3.41 116.57 118.55 1fex h LYS 55 Ca -0.12 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1fex h LYS 55 Cb 1.44 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1fex h LYS 55 CO 0.03 0.47 0.03 -2.39 -0.57 0.00 0.00 179.45 177.03 1fex n HIS 56 N -4.74 -0.97 0.00 -1.35 1.44 -1.16 -5.02 115.22 103.42 1fex n HIS 56 Ca 0.06 -1.06 0.00 0.00 -2.01 0.00 0.00 57.72 54.71 1fex n HIS 56 Cb 0.09 1.30 0.00 0.00 0.12 0.00 0.00 29.99 31.50 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 -0.44 0.07 0.15 2.39 4.77 -1.04 -4.82 117.00 118.08 1fex n LEU 57 Ca -0.19 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1fex n LEU 57 Cb 0.71 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.56 1fex n LEU 57 CO -0.10 -0.31 1.15 -0.09 -1.33 0.00 0.00 177.39 176.71 1fex h ARG 58 N 0.00 0.00 0.00 3.23 2.43 -0.43 -3.50 114.38 116.11 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 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1fex h ARG 58 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87