#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 0.85 -0.98 1.61 3.00 -1.26 -5.05 116.66 114.83 1fex n ARG 2 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.52 1fex n ARG 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.60 1fex n ARG 2 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1fex s ILE 3 N 0.34 2.14 0.75 0.55 2.07 -1.26 -5.02 121.20 120.77 1fex s ILE 3 Ca 0.00 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1fex s ILE 3 Cb 0.00 -2.32 0.13 0.00 0.13 0.00 0.00 42.46 40.41 1fex s ILE 3 CO 0.00 -0.05 1.04 0.00 -1.91 0.00 0.00 174.94 174.02 1fex s ALA 4 N -2.37 3.48 -0.10 1.50 0.00 -1.26 -5.10 121.76 117.90 1fex s ALA 4 Ca 0.70 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1fex s ALA 4 Cb -0.26 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.76 1fex s ALA 4 CO 0.53 -1.57 0.04 -0.06 0.00 0.00 0.00 175.76 174.70 1fex s PHE 5 N -3.24 0.45 0.94 0.00 0.40 -1.26 -5.12 117.98 110.16 1fex s PHE 5 Ca 0.67 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 1fex s PHE 5 Cb -0.05 -0.72 0.17 0.00 0.51 0.00 0.00 43.02 42.93 1fex s PHE 5 CO 0.45 -0.37 1.25 0.95 0.70 0.00 0.00 175.22 178.20 1fex s THR 6 N 2.05 1.96 0.08 0.64 -4.23 -1.26 -4.87 115.64 110.01 1fex s THR 6 Ca 0.03 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.35 1fex s THR 6 Cb -0.14 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 1fex s THR 6 CO -0.06 0.00 1.53 0.44 -0.54 0.00 0.00 174.62 175.99 1fex h ASP 7 N -1.58 0.33 -0.13 3.99 3.32 -2.01 -2.52 116.42 117.82 1fex h ASP 7 Ca -0.45 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 56.35 1fex h ASP 7 Cb 1.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1fex h ASP 7 CO 0.47 0.53 0.17 0.00 -1.72 0.00 0.00 179.24 178.69 1fex h ALA 8 N 0.81 1.64 0.10 3.45 0.00 -1.99 -1.57 119.26 121.70 1fex h ALA 8 Ca 0.06 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1fex h ALA 8 Cb 0.35 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1fex h ALA 8 CO 0.01 -0.24 -0.63 -0.44 0.00 0.00 0.00 179.25 177.94 1fex h ASP 9 N 0.00 0.33 -0.49 0.00 5.19 -1.83 -2.52 116.42 117.11 1fex h ASP 9 Ca 0.06 -0.95 -0.02 0.00 -0.62 0.00 0.00 57.03 55.50 1fex h ASP 9 Cb 0.41 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1fex h ASP 9 CO -0.00 1.30 0.24 0.44 -3.12 0.00 0.00 179.24 178.10 1fex h ASP 10 N -0.55 0.63 -0.33 6.45 5.19 -0.98 0.12 116.42 126.95 1fex h ASP 10 Ca -0.12 -0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.05 1fex h ASP 10 Cb 1.47 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1fex h ASP 10 CO 0.10 0.58 -0.22 0.58 -3.12 0.00 0.00 179.24 177.16 1fex h VAL 11 N 0.64 1.27 -0.02 -1.35 2.07 -1.44 -1.20 116.25 116.22 1fex h VAL 11 Ca 0.17 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1fex h VAL 11 Cb 0.11 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1fex h VAL 11 CO -0.02 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.01 1fex h ALA 12 N 1.04 0.02 -0.04 1.67 0.00 -1.16 -1.40 119.26 119.40 1fex h ALA 12 Ca 0.10 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1fex h ALA 12 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fex h ALA 12 CO 0.06 -0.23 -0.00 0.82 0.00 0.00 0.00 179.25 179.89 1fex h ILE 13 N -0.41 0.97 0.67 0.00 2.04 -0.76 0.50 117.51 120.52 1fex h ILE 13 Ca 0.00 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1fex h ILE 13 Cb 0.48 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1fex h ILE 13 CO 0.00 0.00 -0.46 0.25 0.00 0.00 0.00 178.15 177.95 1fex h LEU 14 N 0.01 -1.18 -0.37 1.44 5.85 -1.25 0.54 115.31 120.34 1fex h LEU 14 Ca 0.02 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1fex h LEU 14 Cb 0.02 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1fex h LEU 14 CO -0.04 -0.68 0.09 0.74 -0.34 0.00 0.00 178.44 178.21 1fex h THR 15 N -1.07 0.83 0.26 1.05 2.02 -1.20 0.47 112.91 115.27 1fex h THR 15 Ca -0.09 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1fex h THR 15 Cb 0.87 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1fex h THR 15 CO 0.06 0.04 -0.20 0.22 0.37 0.00 0.00 175.52 176.01 1fex h TYR 16 N 0.21 -0.52 -0.03 3.16 5.03 0.18 0.27 116.97 125.27 1fex h TYR 16 Ca 0.18 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 1fex h TYR 16 Cb 0.20 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 1fex h TYR 16 CO -0.18 -0.30 0.02 0.28 -1.32 0.00 0.00 178.16 176.65 1fex h VAL 17 N -0.46 1.04 0.00 1.81 2.07 0.43 -1.34 116.25 119.80 1fex h VAL 17 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1fex h VAL 17 Cb 0.41 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1fex h VAL 17 CO -0.01 0.03 0.00 0.50 0.02 0.00 0.00 177.57 178.11 1fex h LYS 18 N 0.00 0.00 0.00 1.57 3.64 0.09 -0.61 116.57 121.26 1fex h LYS 18 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1fex h LYS 18 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1fex h LYS 18 CO -0.00 0.00 -1.21 0.39 -2.27 0.00 0.00 179.45 176.35 1fex n GLU 19 N -2.37 0.27 0.02 1.90 -0.58 0.93 -4.60 120.64 116.20 1fex n GLU 19 Ca 0.01 -0.04 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 1fex n GLU 19 Cb 0.18 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.50 1fex n GLU 19 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1fex n ASN 20 N -1.86 1.01 0.00 1.62 3.02 -0.57 -4.93 115.26 113.54 1fex n ASN 20 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1fex n ASN 20 Cb 0.43 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.53 0.00 -1.91 5.41 0.00 -0.27 -4.75 120.51 115.46 1fex n ALA 21 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1fex n ALA 21 Cb 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.25 -1.78 -3.58 0.00 0.63 -1.26 -4.80 116.66 105.61 1fex n ARG 22 Ca 0.00 0.62 -0.08 0.00 -0.92 0.00 0.00 57.85 57.47 1fex n ARG 22 Cb 0.00 -5.03 -0.04 0.00 0.45 0.00 0.00 32.46 27.83 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 -2.01 -0.28 -1.48 6.15 1.04 -1.26 -5.04 113.70 110.82 1fex s SER 23 Ca 0.00 0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 1fex s SER 23 Cb 0.00 0.24 -0.08 0.00 0.10 0.00 0.00 66.02 66.28 1fex s SER 23 CO 0.00 -0.30 2.77 -0.81 0.98 0.00 0.00 173.24 175.88 1fex n PRO 24 N 0.52 3.35 0.00 4.02 -0.04 -1.26 -3.78 135.00 137.81 1fex n PRO 24 Ca -0.07 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1fex n PRO 24 Cb 0.58 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.79 0.00 -0.21 3.54 2.88 -1.26 -4.83 113.62 117.53 1fex n SER 25 Ca 0.71 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 58.24 1fex n SER 25 Cb 0.21 0.30 0.22 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.87 -0.96 -3.46 0.02 -1.87 -2.13 113.55 106.02 1fex h SER 26 Ca 0.00 -0.06 -0.57 0.00 -0.84 0.00 0.00 61.79 60.32 1fex h SER 26 Cb 0.00 -0.22 -0.29 0.00 0.14 0.00 0.00 62.40 62.02 1fex h SER 26 CO 0.00 0.69 0.68 1.33 -1.14 0.00 0.00 176.83 178.38 1fex n VAL 27 N -4.38 3.34 0.00 2.27 0.24 -1.26 -1.40 118.33 117.15 1fex n VAL 27 Ca 0.07 -2.45 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 1fex n VAL 27 Cb 0.08 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 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 -1.04 0.00 -1.37 3.34 -1.04 -0.81 -4.76 114.28 108.60 1fex n THR 28 Ca 0.60 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 62.39 1fex n THR 28 Cb 1.20 -0.42 0.15 0.00 -1.82 0.00 0.00 70.33 69.44 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 3.02 5.05 3.25 3.41 0.00 -1.19 -4.90 105.19 113.83 1fex n GLY 29 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.06 -4.18 -0.05 1.61 3.02 -1.26 -4.88 115.26 108.46 1fex n ASN 30 Ca 0.52 -0.34 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 1fex n ASN 30 Cb 1.23 -3.44 -0.01 0.00 -0.61 0.00 0.00 39.78 36.95 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex h ALA 31 N 0.98 0.00 0.00 5.41 0.00 -1.84 -3.01 119.26 120.80 1fex h ALA 31 Ca -0.44 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 1fex h ALA 31 Cb 1.30 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1fex h ALA 31 CO 0.53 0.36 -0.05 1.25 0.00 0.00 0.00 179.25 181.34 1fex h LEU 32 N -0.81 0.00 0.04 0.00 5.85 -1.57 -0.64 115.31 118.18 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 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1fex h LEU 32 CO 0.00 0.05 -0.02 -0.50 -0.34 0.00 0.00 178.44 177.63 1fex h TRP 33 N 0.00 -0.05 -0.21 1.25 4.06 -1.77 -2.76 115.95 116.47 1fex h TRP 33 Ca -0.00 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1fex h TRP 33 Cb 0.13 0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 1fex h TRP 33 CO 0.00 0.28 -0.00 0.87 -3.56 0.00 0.00 178.44 176.03 1fex h LYS 34 N -0.99 0.06 -0.70 0.49 1.79 -1.40 -2.08 116.57 113.74 1fex h LYS 34 Ca -0.01 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1fex h LYS 34 Cb 0.36 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1fex h LYS 34 CO 0.01 0.04 0.46 0.00 -1.08 0.00 0.00 179.45 178.89 1fex h ALA 35 N 1.18 1.57 -0.67 3.86 0.00 -1.26 -2.21 119.26 121.73 1fex h ALA 35 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fex h ALA 35 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1fex h ALA 35 CO -0.17 0.37 0.38 1.98 0.00 0.00 0.00 179.25 181.81 1fex h MET 36 N 0.88 0.92 -0.25 0.00 1.85 -1.07 0.86 114.93 118.11 1fex h MET 36 Ca 0.27 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1fex h MET 36 Cb 0.01 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 1fex h MET 36 CO -0.07 0.68 0.12 1.49 -0.40 0.00 0.00 176.91 178.74 1fex h GLU 37 N 0.91 0.34 0.00 0.39 4.22 -1.03 -2.16 114.58 117.25 1fex h GLU 37 Ca 0.24 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.54 1fex h GLU 37 Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1fex h GLU 37 CO -0.04 0.27 -1.41 1.17 -2.18 0.00 0.00 179.01 176.82 1fex n LYS 38 N -4.46 0.62 0.00 1.92 0.00 -0.77 -4.52 118.16 110.96 1fex n LYS 38 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1fex n LYS 38 Cb 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.38 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 -2.72 0.00 -3.27 3.14 2.88 0.29 -4.94 113.62 109.00 1fex n SER 39 Ca -0.07 0.19 -0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1fex n SER 39 Cb 0.73 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.61 -0.23 -0.15 -3.46 0.15 -0.87 -5.07 113.70 102.47 1fex s SER 40 Ca 0.00 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 55.83 1fex s SER 40 Cb 0.00 1.34 0.04 0.00 -1.71 0.00 0.00 66.02 65.69 1fex s SER 40 CO 0.00 -0.28 0.43 -0.22 1.20 0.00 0.00 173.24 174.37 1fex s LEU 41 N 2.17 0.37 0.00 3.45 1.98 -1.23 -4.90 118.68 120.51 1fex s LEU 41 Ca 0.13 0.82 -0.12 0.00 -2.89 0.00 0.00 54.13 52.07 1fex s LEU 41 Cb -0.11 1.48 0.19 0.00 0.66 0.00 0.00 46.19 48.41 1fex s LEU 41 CO -0.18 -0.17 0.43 0.35 -1.89 0.00 0.00 176.35 174.89 1fex n THR 42 N 2.74 0.00 -1.78 3.68 -2.24 -1.26 -4.62 114.28 110.80 1fex n THR 42 Ca -0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1fex n THR 42 Cb 0.57 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.55 1.82 0.27 -0.78 -1.52 -1.26 -4.83 119.66 109.80 1fex s GLN 43 Ca 0.33 -0.35 -0.03 0.00 -1.95 0.00 0.00 55.36 53.36 1fex s GLN 43 Cb -0.06 -5.01 -0.02 0.00 -0.22 0.00 0.00 33.01 27.71 1fex s GLN 43 CO 0.28 -4.54 0.34 -1.01 -0.25 0.00 0.00 175.29 170.11 1fex s HIS 44 N 13.93 1.01 0.10 0.91 3.76 -1.26 -5.09 115.29 128.66 1fex s HIS 44 Ca 0.79 -1.23 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1fex s HIS 44 Cb -0.06 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 1fex s HIS 44 CO 0.11 -0.91 -0.19 -1.54 -0.85 0.00 0.00 174.74 171.36 1fex s SER 45 N -3.18 3.79 0.39 1.40 1.04 -1.26 -4.96 113.70 110.93 1fex s SER 45 Ca 0.33 -0.56 0.08 0.00 0.48 0.00 0.00 55.95 56.28 1fex s SER 45 Cb 0.02 -0.52 0.85 0.00 0.10 0.00 0.00 66.02 66.48 1fex s SER 45 CO 0.16 0.19 1.99 4.11 0.98 0.00 0.00 173.24 180.67 1fex h TRP 46 N 3.91 0.61 0.17 5.02 5.08 -1.93 -1.84 115.95 126.98 1fex h TRP 46 Ca -0.50 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.49 1fex h TRP 46 Cb 1.17 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 27.12 1fex h TRP 46 CO 0.59 0.33 -0.17 1.96 -1.28 0.00 0.00 178.44 179.87 1fex h GLN 47 N 0.61 -0.32 -0.16 0.12 4.20 -1.95 0.19 115.11 117.79 1fex h GLN 47 Ca 0.27 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.05 1fex h GLN 47 Cb 0.27 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1fex h GLN 47 CO -0.08 -0.22 0.19 1.03 -0.67 0.00 0.00 178.83 179.09 1fex h SER 48 N -0.34 0.00 -0.05 1.46 0.87 -1.96 0.33 113.55 113.86 1fex h SER 48 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1fex h SER 48 Cb 0.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1fex h SER 48 CO -0.02 0.00 -0.01 0.25 -0.53 0.00 0.00 176.83 176.51 1fex h LEU 49 N 0.00 0.09 -0.15 2.23 7.12 -0.39 -1.12 115.31 123.09 1fex h LEU 49 Ca 0.08 -0.37 -0.17 0.00 0.13 0.00 0.00 57.88 57.54 1fex h LEU 49 Cb 0.46 -0.03 0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1fex h LEU 49 CO -0.00 0.44 -0.58 0.50 -0.13 0.00 0.00 178.44 178.68 1fex h LYS 50 N -0.26 0.65 -0.85 1.25 3.11 0.45 -2.93 116.57 117.99 1fex h LYS 50 Ca 0.01 -0.50 0.01 0.00 -2.81 0.00 0.00 60.65 57.35 1fex h LYS 50 Cb 0.40 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.69 1fex h LYS 50 CO 0.00 1.12 0.56 0.22 -2.81 0.00 0.00 179.45 178.55 1fex h ASP 51 N 0.33 0.99 -0.38 4.20 1.82 -1.02 -1.90 116.42 120.45 1fex h ASP 51 Ca -0.03 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.53 1fex h ASP 51 Cb 1.21 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 1fex h ASP 51 CO 0.12 0.72 0.08 -0.09 -1.61 0.00 0.00 179.24 178.47 1fex h ARG 52 N 1.16 0.71 -0.70 0.28 9.65 -1.21 0.41 114.38 124.67 1fex h ARG 52 Ca 0.31 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1fex h ARG 52 Cb -0.12 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.32 1fex h ARG 52 CO -0.07 0.67 0.28 -0.92 2.80 0.00 0.00 179.97 182.73 1fex h TYR 53 N 0.68 1.05 0.00 2.20 3.20 -1.16 -2.57 116.97 120.38 1fex h TYR 53 Ca 0.15 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1fex h TYR 53 Cb 0.30 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1fex h TYR 53 CO 0.01 0.80 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.42 1fex h LEU 54 N 1.02 0.00 -0.14 2.82 3.38 -1.10 -0.81 115.31 120.48 1fex h LEU 54 Ca 0.24 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fex h LEU 54 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1fex h LEU 54 CO -0.02 0.03 0.08 0.11 0.09 0.00 0.00 178.44 178.74 1fex h LYS 55 N 0.00 0.19 0.00 1.13 1.57 0.22 -3.42 116.57 116.27 1fex h LYS 55 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1fex h LYS 55 Cb 0.92 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 1fex h LYS 55 CO 0.00 0.18 -0.14 -2.39 -0.57 0.00 0.00 179.45 176.53 1fex n HIS 56 N -4.96 -1.36 0.00 -1.35 1.44 -1.17 -5.07 115.22 102.77 1fex n HIS 56 Ca -0.05 -1.16 0.00 0.00 -2.01 0.00 0.00 57.72 54.50 1fex n HIS 56 Cb 0.06 1.26 0.00 0.00 0.12 0.00 0.00 29.99 31.42 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 -0.82 0.00 0.00 2.39 4.77 -1.02 -5.05 117.00 117.27 1fex n LEU 57 Ca -0.12 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 1fex n LEU 57 Cb 0.74 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1fex n LEU 57 CO -0.10 -0.01 -0.02 0.54 -1.33 0.00 0.00 177.39 176.48 1fex n ARG 58 N -1.02 -0.17 0.00 3.23 1.74 -0.34 -5.03 116.66 115.07 1fex n ARG 58 Ca 0.00 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1fex n ARG 58 Cb 0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52