#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 1.70 0.42 1.61 3.00 -1.26 -5.17 118.95 119.26 1fex s ARG 2 Ca 0.00 -1.85 0.05 0.00 0.00 0.00 0.00 55.73 53.93 1fex s ARG 2 Cb 0.00 0.36 0.01 0.00 0.00 0.00 0.00 34.95 35.31 1fex s ARG 2 CO 0.00 -0.65 0.60 0.42 0.00 0.00 0.00 175.30 175.67 1fex s ILE 3 N -3.47 3.50 0.57 1.52 1.01 -1.26 -5.12 121.20 117.95 1fex s ILE 3 Ca 0.37 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1fex s ILE 3 Cb 0.02 -3.24 0.12 0.00 0.01 0.00 0.00 42.46 39.38 1fex s ILE 3 CO 0.22 -0.12 0.78 0.00 0.00 0.00 0.00 174.94 175.82 1fex n ALA 4 N -1.93 -0.19 -3.71 9.38 0.00 -1.26 -5.11 120.51 117.69 1fex n ALA 4 Ca 0.04 -1.37 -0.21 0.00 0.00 0.00 0.00 53.44 51.91 1fex n ALA 4 Cb 0.59 0.15 -0.18 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.41 0.30 0.78 0.00 0.08 -1.26 -5.12 117.98 110.35 1fex s PHE 5 Ca 0.49 0.08 -0.13 0.00 0.12 0.00 0.00 56.93 57.49 1fex s PHE 5 Cb -0.02 -0.58 0.18 0.00 -0.57 0.00 0.00 43.02 42.03 1fex s PHE 5 CO 0.33 -0.23 1.02 0.25 -0.10 0.00 0.00 175.22 176.49 1fex n THR 6 N 5.10 0.00 0.11 0.64 -2.24 -1.26 -4.93 114.28 111.69 1fex n THR 6 Ca -0.08 -0.73 -0.04 0.00 -2.27 0.00 0.00 64.05 60.94 1fex n THR 6 Cb 0.50 -1.58 0.08 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.45 0.08 -0.33 3.42 3.32 -2.01 -3.13 116.42 116.32 1fex h ASP 7 Ca -0.33 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1fex h ASP 7 Cb 0.93 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1fex h ASP 7 CO 0.23 0.78 0.09 0.00 -1.72 0.00 0.00 179.24 178.63 1fex h ALA 8 N 1.21 0.43 -0.71 3.45 0.00 -2.01 -2.85 119.26 118.78 1fex h ALA 8 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1fex h ALA 8 Cb 1.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1fex h ALA 8 CO 0.10 0.08 0.31 -0.44 0.00 0.00 0.00 179.25 179.30 1fex h ASP 9 N 0.37 0.95 -0.65 0.00 5.19 -1.94 -1.93 116.42 118.42 1fex h ASP 9 Ca 0.10 -0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1fex h ASP 9 Cb 0.27 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1fex h ASP 9 CO -0.00 0.82 0.43 0.44 -3.12 0.00 0.00 179.24 177.81 1fex h ASP 10 N 1.02 0.76 0.02 6.45 3.32 -1.46 -0.00 116.42 126.53 1fex h ASP 10 Ca 0.24 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.01 1fex h ASP 10 Cb 0.16 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.54 1fex h ASP 10 CO -0.03 0.55 -1.02 0.58 -1.72 0.00 0.00 179.24 177.61 1fex h VAL 11 N 0.89 1.30 -0.27 -1.35 2.07 -1.23 -2.39 116.25 115.28 1fex h VAL 11 Ca 0.24 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 1fex h VAL 11 Cb -0.10 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1fex h VAL 11 CO -0.05 0.69 0.07 0.00 0.02 0.00 0.00 177.57 178.30 1fex h ALA 12 N 0.37 0.36 -0.30 1.67 0.00 -0.98 -1.06 119.26 119.31 1fex h ALA 12 Ca -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1fex h ALA 12 Cb 1.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1fex h ALA 12 CO 0.20 0.01 0.13 0.82 0.00 0.00 0.00 179.25 180.41 1fex h ILE 13 N 0.27 1.17 0.86 0.00 2.04 -1.09 -0.92 117.51 119.85 1fex h ILE 13 Ca 0.08 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1fex h ILE 13 Cb 0.28 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1fex h ILE 13 CO 0.00 0.18 -0.46 0.25 0.00 0.00 0.00 178.15 178.12 1fex h LEU 14 N 0.34 -1.13 -0.49 1.44 5.85 -1.33 0.75 115.31 120.74 1fex h LEU 14 Ca 0.10 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1fex h LEU 14 Cb 0.17 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1fex h LEU 14 CO -0.01 -0.75 -0.02 0.74 -0.34 0.00 0.00 178.44 178.06 1fex h THR 15 N -1.22 0.60 -0.02 1.05 2.02 -1.20 0.33 112.91 114.47 1fex h THR 15 Ca -0.12 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1fex h THR 15 Cb 0.95 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1fex h THR 15 CO 0.16 0.02 0.01 0.22 0.37 0.00 0.00 175.52 176.30 1fex h TYR 16 N 0.10 0.03 -0.64 3.16 5.03 -1.06 -2.12 116.97 121.46 1fex h TYR 16 Ca 0.25 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 1fex h TYR 16 Cb 0.37 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1fex h TYR 16 CO -0.33 0.03 0.24 0.28 -1.32 0.00 0.00 178.16 177.07 1fex h VAL 17 N 0.01 1.23 0.00 1.81 2.07 -0.22 -1.60 116.25 119.55 1fex h VAL 17 Ca 0.01 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1fex h VAL 17 Cb 0.02 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1fex h VAL 17 CO -0.00 0.29 -0.02 0.50 0.02 0.00 0.00 177.57 178.36 1fex h LYS 18 N 0.93 0.00 0.01 1.57 3.64 0.02 -0.34 116.57 122.40 1fex h LYS 18 Ca 0.22 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.34 1fex h LYS 18 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1fex h LYS 18 CO -0.02 0.02 -1.42 0.39 -2.27 0.00 0.00 179.45 176.16 1fex n GLU 19 N -3.19 0.58 -0.06 1.90 1.02 -0.67 -4.74 120.64 115.48 1fex n GLU 19 Ca -0.01 0.53 -0.04 0.00 -0.02 0.00 0.00 57.16 57.62 1fex n GLU 19 Cb 0.20 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 1fex n GLU 19 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1fex h ASN 20 N -0.92 0.00 -0.51 1.62 2.35 -1.36 -3.44 115.58 113.32 1fex h ASN 20 Ca -0.38 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 54.94 1fex h ASN 20 Cb 1.38 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.70 1fex h ASN 20 CO -0.21 0.67 1.61 0.00 -1.65 0.00 0.00 177.43 177.85 1fex n ALA 21 N -3.44 0.56 -2.10 -0.83 0.00 -0.14 -4.57 120.51 109.99 1fex n ALA 21 Ca -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.71 1fex n ALA 21 Cb 0.22 -2.66 -0.02 0.00 0.00 0.00 0.00 19.45 16.99 1fex n ALA 21 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fex n ARG 22 N 8.26 0.00 -3.69 0.00 1.85 -1.26 -4.69 116.66 117.13 1fex n ARG 22 Ca 0.56 -0.90 -0.04 0.00 -1.00 0.00 0.00 57.85 56.47 1fex n ARG 22 Cb 0.24 0.05 -0.01 0.00 -1.05 0.00 0.00 32.46 31.68 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fex s SER 23 N -0.90 -0.20 -1.22 2.89 1.04 -1.26 -5.04 113.70 109.00 1fex s SER 23 Ca 0.07 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.05 1fex s SER 23 Cb 0.08 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1fex s SER 23 CO -0.03 -0.79 2.25 -0.81 0.98 0.00 0.00 173.24 174.83 1fex n PRO 24 N -0.43 2.51 0.00 4.02 -0.04 -1.26 -3.44 135.00 136.36 1fex n PRO 24 Ca -0.07 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1fex n PRO 24 Cb 0.61 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 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 5.86 0.00 0.20 3.54 2.88 -1.26 -4.88 113.62 119.96 1fex n SER 25 Ca 0.55 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.96 1fex n SER 25 Cb 0.34 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.99 -0.38 -3.46 4.64 -1.92 -1.61 113.55 109.83 1fex h SER 26 Ca 0.00 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1fex h SER 26 Cb 0.00 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1fex h SER 26 CO 0.00 -0.47 0.02 1.33 -0.87 0.00 0.00 176.83 176.84 1fex n VAL 27 N -4.56 1.77 -0.05 0.95 0.24 -1.26 -2.37 118.33 113.05 1fex n VAL 27 Ca -0.08 -0.89 -0.06 0.00 -2.04 0.00 0.00 64.34 61.26 1fex n VAL 27 Cb 0.32 -0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 1fex n VAL 27 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1fex n THR 28 N 0.34 0.62 -0.91 3.34 -1.04 -0.98 -4.56 114.28 111.09 1fex n THR 28 Ca 0.19 -0.32 0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1fex n THR 28 Cb 0.87 -0.82 0.38 0.00 -1.82 0.00 0.00 70.33 68.94 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 2.67 3.16 2.20 3.41 0.00 -0.64 -4.92 105.19 111.08 1fex n GLY 29 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.46 -3.39 0.01 1.61 4.13 -1.26 -4.80 115.26 112.02 1fex n ASN 30 Ca 0.27 0.25 -0.21 0.00 1.68 0.00 0.00 54.58 56.57 1fex n ASN 30 Cb 1.14 -3.03 -0.14 0.00 -1.54 0.00 0.00 39.78 36.21 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fex h ALA 31 N 0.97 0.42 -0.12 5.41 0.00 -1.81 -3.13 119.26 120.99 1fex h ALA 31 Ca -0.25 -1.37 -0.11 0.00 0.00 0.00 0.00 54.91 53.18 1fex h ALA 31 Cb 1.01 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1fex h ALA 31 CO 0.33 1.30 -0.42 1.25 0.00 0.00 0.00 179.25 181.71 1fex h LEU 32 N 0.07 0.29 0.20 0.00 5.85 -1.77 -2.40 115.31 117.55 1fex h LEU 32 Ca -0.40 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1fex h LEU 32 Cb 2.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1fex h LEU 32 CO 0.10 0.68 -0.10 -0.50 -0.34 0.00 0.00 178.44 178.28 1fex h TRP 33 N 0.23 -0.25 -0.99 1.25 -0.00 -1.79 -3.13 115.95 111.26 1fex h TRP 33 Ca 0.02 -0.01 0.18 0.00 -0.00 0.00 0.00 58.89 59.09 1fex h TRP 33 Cb 0.84 0.08 -0.10 0.00 -0.00 0.00 0.00 29.16 29.99 1fex h TRP 33 CO 0.02 0.09 0.61 0.87 -0.00 0.00 0.00 178.44 180.03 1fex h LYS 34 N -0.96 0.73 -0.37 0.49 6.56 -1.60 -0.91 116.57 120.50 1fex h LYS 34 Ca -0.03 -0.04 0.07 0.00 -1.06 0.00 0.00 60.65 59.58 1fex h LYS 34 Cb 0.46 -0.16 -0.06 0.00 -0.57 0.00 0.00 32.23 31.89 1fex h LYS 34 CO 0.05 0.48 0.01 0.00 -2.06 0.00 0.00 179.45 177.93 1fex h ALA 35 N 1.63 0.35 -0.90 3.86 0.00 -1.47 -1.35 119.26 121.37 1fex h ALA 35 Ca 0.56 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.70 1fex h ALA 35 Cb 0.88 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1fex h ALA 35 CO -0.34 -0.39 0.51 0.52 0.00 0.00 0.00 179.25 179.56 1fex h MET 36 N 0.12 0.74 -0.47 0.00 2.86 -1.10 0.34 114.93 117.41 1fex h MET 36 Ca 0.18 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1fex h MET 36 Cb 0.25 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1fex h MET 36 CO -0.29 0.49 0.17 1.49 1.06 0.00 0.00 176.91 179.83 1fex h GLU 37 N 0.76 0.72 -0.69 1.72 4.81 -1.18 -2.41 114.58 118.31 1fex h GLU 37 Ca 0.48 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1fex h GLU 37 Cb 0.60 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1fex h GLU 37 CO -0.32 0.66 0.07 1.17 -0.73 0.00 0.00 179.01 179.86 1fex n LYS 38 N -4.56 4.06 0.00 1.92 3.00 -0.56 -4.65 118.16 117.38 1fex n LYS 38 Ca 0.01 -2.69 0.00 0.00 -0.00 0.00 0.00 58.31 55.63 1fex n LYS 38 Cb 0.17 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1fex n LYS 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1fex n SER 39 N 0.35 0.00 -3.25 3.14 2.88 0.11 -5.01 113.62 111.83 1fex n SER 39 Ca 0.27 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.74 1fex n SER 39 Cb 1.12 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.09 -0.31 -0.10 -3.46 0.15 -0.94 -5.05 113.70 101.90 1fex s SER 40 Ca 0.00 -1.25 -0.18 0.00 0.70 0.00 0.00 55.95 55.22 1fex s SER 40 Cb 0.00 1.30 0.04 0.00 -1.71 0.00 0.00 66.02 65.65 1fex s SER 40 CO 0.00 -0.20 0.44 -0.22 1.20 0.00 0.00 173.24 174.46 1fex s LEU 41 N 1.55 0.33 0.00 3.45 2.96 -1.19 -4.91 118.68 120.87 1fex s LEU 41 Ca 0.18 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1fex s LEU 41 Cb -0.08 1.61 0.00 0.00 0.50 0.00 0.00 46.19 48.21 1fex s LEU 41 CO -0.05 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.00 1fex n THR 42 N 2.00 0.00 -1.86 3.68 -2.24 -1.26 -4.66 114.28 109.93 1fex n THR 42 Ca -0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1fex n THR 42 Cb 0.57 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.67 2.14 0.18 -0.78 2.00 -1.26 -4.85 119.66 114.42 1fex s GLN 43 Ca 0.00 -0.12 -0.18 0.00 -2.00 0.00 0.00 55.36 53.06 1fex s GLN 43 Cb 0.00 -4.98 0.03 0.00 0.80 0.00 0.00 33.01 28.86 1fex s GLN 43 CO 0.00 -3.94 0.50 -1.01 -0.50 0.00 0.00 175.29 170.34 1fex s HIS 44 N 12.21 -0.17 0.52 1.67 3.76 -1.26 -5.09 115.29 126.93 1fex s HIS 44 Ca 0.78 -0.16 0.07 0.00 -0.15 0.00 0.00 55.06 55.61 1fex s HIS 44 Cb -0.08 0.37 0.04 0.00 1.11 0.00 0.00 32.58 34.02 1fex s HIS 44 CO 0.05 -0.86 0.52 -1.54 -0.85 0.00 0.00 174.74 172.05 1fex s SER 45 N -2.85 4.91 0.06 1.40 1.04 -1.26 -4.86 113.70 112.15 1fex s SER 45 Ca 0.07 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 1fex s SER 45 Cb -0.00 0.11 -0.27 0.00 0.10 0.00 0.00 66.02 65.96 1fex s SER 45 CO -0.06 -1.06 1.08 4.11 0.98 0.00 0.00 173.24 178.30 1fex h TRP 46 N 0.64 0.39 0.14 5.02 5.08 -1.92 -3.19 115.95 122.10 1fex h TRP 46 Ca -0.36 -0.28 0.00 0.00 1.08 0.00 0.00 58.89 59.33 1fex h TRP 46 Cb 1.29 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.41 1fex h TRP 46 CO 0.69 1.25 -0.29 1.96 -1.28 0.00 0.00 178.44 180.77 1fex h GLN 47 N 0.06 -0.45 -0.03 0.12 4.20 -1.96 0.59 115.11 117.64 1fex h GLN 47 Ca -0.14 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1fex h GLN 47 Cb 1.95 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.83 1fex h GLN 47 CO 0.18 -0.30 0.06 1.03 -0.67 0.00 0.00 178.83 179.13 1fex h SER 48 N -0.47 0.00 -0.01 1.46 0.87 -2.00 -0.32 113.55 113.09 1fex h SER 48 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1fex h SER 48 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1fex h SER 48 CO -0.12 0.00 -0.16 0.25 -0.53 0.00 0.00 176.83 176.28 1fex h LEU 49 N 0.00 0.16 -0.37 2.23 5.85 -1.02 -2.64 115.31 119.51 1fex h LEU 49 Ca 0.01 -0.73 -0.17 0.00 0.84 0.00 0.00 57.88 57.83 1fex h LEU 49 Cb 0.13 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1fex h LEU 49 CO -0.00 0.87 -0.44 0.50 -0.34 0.00 0.00 178.44 179.03 1fex h LYS 50 N -0.54 0.91 -0.53 1.25 3.11 0.73 -3.07 116.57 118.43 1fex h LYS 50 Ca -0.02 -0.51 -0.01 0.00 -2.81 0.00 0.00 60.65 57.31 1fex h LYS 50 Cb 0.88 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 1fex h LYS 50 CO 0.03 1.16 0.31 0.22 -2.81 0.00 0.00 179.45 178.36 1fex h ASP 51 N 0.73 0.65 -0.51 4.20 1.82 -1.17 -2.91 116.42 119.22 1fex h ASP 51 Ca 0.05 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1fex h ASP 51 Cb 1.03 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.85 1fex h ASP 51 CO 0.10 0.53 0.33 -0.09 -1.61 0.00 0.00 179.24 178.50 1fex h ARG 52 N 0.71 0.65 -0.97 0.28 1.12 -1.45 0.29 114.38 115.00 1fex h ARG 52 Ca 0.19 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.12 1fex h ARG 52 Cb 0.01 -0.15 -0.08 0.00 -0.01 0.00 0.00 29.97 29.74 1fex h ARG 52 CO -0.03 0.43 0.60 -0.92 -3.11 0.00 0.00 179.97 176.94 1fex h TYR 53 N 0.67 1.10 0.00 2.20 3.20 -1.42 -1.21 116.97 121.51 1fex h TYR 53 Ca 0.20 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1fex h TYR 53 Cb -0.04 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.86 1fex h TYR 53 CO -0.05 0.47 -0.79 -0.07 -1.64 0.00 0.00 178.16 176.08 1fex h LEU 54 N 0.99 0.00 -0.29 2.82 3.38 -1.37 -0.74 115.31 120.10 1fex h LEU 54 Ca 0.47 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.45 1fex h LEU 54 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1fex h LEU 54 CO -0.24 0.38 0.17 0.11 0.09 0.00 0.00 178.44 178.95 1fex h LYS 55 N 0.00 0.35 0.00 1.13 1.57 0.81 -3.42 116.57 117.01 1fex h LYS 55 Ca -0.05 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1fex h LYS 55 Cb 1.34 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1fex h LYS 55 CO 0.04 0.23 -0.13 -2.39 -0.57 0.00 0.00 179.45 176.63 1fex n HIS 56 N -4.92 -1.19 0.03 -1.35 1.44 -1.07 -5.03 115.22 103.14 1fex n HIS 56 Ca -0.01 -1.02 0.00 0.00 -2.01 0.00 0.00 57.72 54.68 1fex n HIS 56 Cb 0.05 1.17 0.00 0.00 0.12 0.00 0.00 29.99 31.33 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 -0.78 0.41 -0.32 2.39 4.77 -0.93 -4.78 117.00 117.76 1fex n LEU 57 Ca -0.11 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1fex n LEU 57 Cb 0.72 -0.09 0.32 0.00 -2.33 0.00 0.00 43.42 42.04 1fex n LEU 57 CO -0.09 -0.43 1.22 -0.09 -1.33 0.00 0.00 177.39 176.67 1fex h ARG 58 N 0.00 0.79 -0.01 3.23 2.43 -1.47 -3.50 114.38 115.85 1fex h ARG 58 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1fex h ARG 58 Cb 0.40 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1fex h ARG 58 CO 0.00 0.52 0.00 0.41 -1.51 0.00 0.00 179.97 179.39