#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 0.24 0.99 1.61 1.70 -1.26 -5.01 118.95 117.22 1fex s ARG 2 Ca 0.00 0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 55.99 1fex s ARG 2 Cb 0.00 0.11 0.18 0.00 -0.57 0.00 0.00 34.95 34.67 1fex s ARG 2 CO 0.00 -0.26 1.09 -1.50 -1.08 0.00 0.00 175.30 173.56 1fex s ILE 3 N 2.35 2.14 0.00 4.99 2.07 -1.26 -5.05 121.20 126.44 1fex s ILE 3 Ca -0.01 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1fex s ILE 3 Cb -0.12 -2.53 0.00 0.00 0.13 0.00 0.00 42.46 39.94 1fex s ILE 3 CO -0.11 -0.06 0.00 0.00 -1.91 0.00 0.00 174.94 172.86 1fex n ALA 4 N -4.15 0.00 -3.67 1.50 0.00 -1.26 -5.09 120.51 107.84 1fex n ALA 4 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1fex n ALA 4 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.01 0.51 0.00 0.00 0.40 -1.26 -5.12 117.98 112.50 1fex s PHE 5 Ca 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 1fex s PHE 5 Cb 0.00 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 43.01 1fex s PHE 5 CO 0.00 -0.15 0.00 0.25 0.70 0.00 0.00 175.22 176.02 1fex n THR 6 N 4.07 0.00 -0.05 0.64 -2.24 -1.26 -4.90 114.28 110.54 1fex n THR 6 Ca -0.26 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1fex n THR 6 Cb 0.51 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.00 0.81 0.26 3.42 3.32 -2.01 -2.73 116.42 119.49 1fex h ASP 7 Ca 0.00 -0.58 -0.11 0.00 0.02 0.00 0.00 57.03 56.36 1fex h ASP 7 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1fex h ASP 7 CO 0.00 1.25 -0.44 0.00 -1.72 0.00 0.00 179.24 178.33 1fex h ALA 8 N 0.58 1.08 0.00 3.45 0.00 -2.00 -2.85 119.26 119.52 1fex h ALA 8 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1fex h ALA 8 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1fex h ALA 8 CO 0.12 0.61 -0.53 -0.44 0.00 0.00 0.00 179.25 179.01 1fex h ASP 9 N 0.19 0.00 -0.03 0.00 5.19 -1.92 -2.04 116.42 117.81 1fex h ASP 9 Ca 0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1fex h ASP 9 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1fex h ASP 9 CO 0.07 0.53 -0.07 0.44 -3.12 0.00 0.00 179.24 177.09 1fex h ASP 10 N 0.00 0.12 0.39 6.45 3.32 -1.26 -1.37 116.42 124.07 1fex h ASP 10 Ca -0.01 -0.58 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 1fex h ASP 10 Cb 1.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1fex h ASP 10 CO 0.07 0.68 -0.38 0.58 -1.72 0.00 0.00 179.24 178.47 1fex h VAL 11 N -0.44 1.25 -0.13 -1.35 2.07 -1.54 0.17 116.25 116.28 1fex h VAL 11 Ca 0.00 -1.30 -0.20 0.00 0.82 0.00 0.00 66.70 66.02 1fex h VAL 11 Cb 0.66 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1fex h VAL 11 CO 0.02 0.37 -0.70 0.00 0.02 0.00 0.00 177.57 177.28 1fex h ALA 12 N 1.62 0.26 0.04 1.67 0.00 -1.34 -1.75 119.26 119.75 1fex h ALA 12 Ca -0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.11 1fex h ALA 12 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1fex h ALA 12 CO 0.05 0.58 -1.01 0.82 0.00 0.00 0.00 179.25 179.69 1fex h ILE 13 N 0.39 1.57 0.15 0.00 2.04 -1.09 -3.04 117.51 117.52 1fex h ILE 13 Ca -0.05 -2.99 -0.01 0.00 1.00 0.00 0.00 64.86 62.81 1fex h ILE 13 Cb 1.34 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1fex h ILE 13 CO 0.14 0.86 -0.07 0.25 0.00 0.00 0.00 178.15 179.34 1fex h LEU 14 N 0.06 -0.17 -0.25 1.44 5.85 -0.70 -2.09 115.31 119.45 1fex h LEU 14 Ca -0.06 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1fex h LEU 14 Cb 1.71 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.72 1fex h LEU 14 CO 0.15 0.24 -0.13 0.74 -0.34 0.00 0.00 178.44 179.10 1fex h THR 15 N -0.62 0.61 -0.13 1.05 2.02 -1.41 0.32 112.91 114.75 1fex h THR 15 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1fex h THR 15 Cb 0.46 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1fex h THR 15 CO 0.03 0.00 0.02 0.22 0.37 0.00 0.00 175.52 176.16 1fex h TYR 16 N -0.10 0.02 -0.71 3.16 5.03 -1.57 0.82 116.97 123.62 1fex h TYR 16 Ca 0.13 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 1fex h TYR 16 Cb 0.30 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 1fex h TYR 16 CO -0.31 0.00 0.21 0.28 -1.32 0.00 0.00 178.16 177.02 1fex h VAL 17 N 0.06 1.26 -0.00 1.81 2.07 -0.93 -2.31 116.25 118.21 1fex h VAL 17 Ca 0.06 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1fex h VAL 17 Cb 0.06 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1fex h VAL 17 CO -0.08 0.36 -0.04 1.17 0.02 0.00 0.00 177.57 179.00 1fex n LYS 18 N -4.27 0.66 -0.11 1.57 4.81 0.11 -2.59 118.16 118.35 1fex n LYS 18 Ca 0.05 -0.11 -0.13 0.00 -0.87 0.00 0.00 58.31 57.26 1fex n LYS 18 Cb 0.24 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.66 1fex n LYS 18 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1fex n GLU 19 N -1.08 0.78 -0.11 1.64 1.02 0.25 -4.47 120.64 118.68 1fex n GLU 19 Ca 0.16 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.12 1fex n GLU 19 Cb 0.23 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 1fex n GLU 19 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fex n ASN 20 N -2.94 1.92 0.00 1.62 3.02 -0.91 -4.66 115.26 113.32 1fex n ASN 20 Ca -0.36 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1fex n ASN 20 Cb 1.03 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.17 -1.88 5.41 0.00 -1.07 -4.78 120.51 114.35 1fex n ALA 21 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1fex n ALA 21 Cb 0.80 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.40 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 -1.82 -1.70 -3.53 0.00 0.63 -1.26 -4.80 116.66 104.18 1fex n ARG 22 Ca 0.00 0.71 -0.08 0.00 -0.92 0.00 0.00 57.85 57.56 1fex n ARG 22 Cb 0.00 -5.12 -0.02 0.00 0.45 0.00 0.00 32.46 27.77 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 -2.07 -0.31 -1.33 6.15 1.04 -1.26 -5.04 113.70 110.87 1fex s SER 23 Ca 0.00 0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 1fex s SER 23 Cb 0.00 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 1fex s SER 23 CO 0.00 -0.52 3.02 -0.81 0.98 0.00 0.00 173.24 175.91 1fex n PRO 24 N -0.18 3.50 0.00 4.02 -0.04 -1.26 -3.80 135.00 137.24 1fex n PRO 24 Ca -0.07 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1fex n PRO 24 Cb 0.61 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 3.22 0.00 0.11 3.54 2.88 -1.26 -4.80 113.62 117.31 1fex n SER 25 Ca 0.72 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 58.14 1fex n SER 25 Cb 0.34 0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.18 -3.46 0.02 -1.87 0.89 113.55 109.03 1fex h SER 26 Ca 0.00 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1fex h SER 26 Cb 0.00 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1fex h SER 26 CO 0.00 0.17 -0.02 -0.37 -1.14 0.00 0.00 176.83 175.48 1fex h VAL 27 N -0.84 0.19 0.05 2.27 -1.51 -1.91 -2.95 116.25 111.55 1fex h VAL 27 Ca -0.03 -0.14 -0.38 0.00 -1.23 0.00 0.00 66.70 64.91 1fex h VAL 27 Cb 0.51 1.11 -0.05 0.00 -2.13 0.00 0.00 31.29 30.74 1fex h VAL 27 CO 0.06 0.02 -2.25 0.41 -1.23 0.00 0.00 177.57 174.58 1fex n THR 28 N -3.32 1.60 0.00 7.19 -1.04 -1.17 -4.87 114.28 112.68 1fex n THR 28 Ca -0.02 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1fex n THR 28 Cb 0.13 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 2.04 -0.03 1.29 3.41 0.00 0.31 -5.01 105.19 107.19 1fex n GLY 29 Ca -0.41 -1.37 0.04 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 0.00 1.00 -0.07 1.61 3.02 -1.26 -4.89 115.26 114.67 1fex n ASN 30 Ca 0.00 -2.23 -0.07 0.00 -0.03 0.00 0.00 54.58 52.26 1fex n ASN 30 Cb 0.00 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.25 0.50 0.24 5.41 0.00 -1.26 -2.91 120.51 122.73 1fex n ALA 31 Ca 0.07 -0.44 0.16 0.00 0.00 0.00 0.00 53.44 53.23 1fex n ALA 31 Cb 1.05 -0.05 0.85 0.00 0.00 0.00 0.00 19.45 21.30 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 0.00 0.00 0.00 5.85 -1.91 -1.47 115.31 116.78 1fex h LEU 32 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1fex h LEU 32 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1fex h LEU 32 CO -0.03 0.00 -0.23 -0.50 -0.34 0.00 0.00 178.44 177.34 1fex h TRP 33 N 0.00 0.00 -0.97 1.25 4.06 -1.84 -3.09 115.95 115.36 1fex h TRP 33 Ca 0.06 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.08 1fex h TRP 33 Cb 0.31 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.40 1fex h TRP 33 CO 0.00 0.69 0.62 0.87 -3.56 0.00 0.00 178.44 177.07 1fex h LYS 34 N -1.00 1.05 -0.22 0.49 1.79 -1.38 -0.49 116.57 116.82 1fex h LYS 34 Ca -0.05 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1fex h LYS 34 Cb 0.71 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1fex h LYS 34 CO -0.03 0.69 0.11 0.00 -1.08 0.00 0.00 179.45 179.15 1fex h ALA 35 N 1.49 0.28 -0.88 3.86 0.00 -1.41 -2.61 119.26 119.98 1fex h ALA 35 Ca 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1fex h ALA 35 Cb 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1fex h ALA 35 CO -0.18 -0.18 0.48 1.98 0.00 0.00 0.00 179.25 181.36 1fex h MET 36 N 0.23 1.23 -0.93 0.00 1.85 -1.26 -2.39 114.93 113.66 1fex h MET 36 Ca 0.08 -0.14 0.17 0.00 -0.61 0.00 0.00 59.70 59.19 1fex h MET 36 Cb 0.09 -0.24 -0.08 0.00 0.43 0.00 0.00 31.60 31.80 1fex h MET 36 CO -0.01 0.90 0.60 1.49 -0.40 0.00 0.00 176.91 179.49 1fex h GLU 37 N 1.24 0.61 -0.12 0.39 4.22 -0.74 1.12 114.58 121.30 1fex h GLU 37 Ca 0.31 -0.04 -0.18 0.00 0.08 0.00 0.00 59.36 59.54 1fex h GLU 37 Cb 0.03 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1fex h GLU 37 CO -0.05 0.41 -0.66 0.87 -2.18 0.00 0.00 179.01 177.40 1fex h LYS 38 N 0.63 0.48 -1.50 1.92 1.57 -1.28 -3.39 116.57 115.01 1fex h LYS 38 Ca 0.49 -0.35 -0.46 0.00 -1.87 0.00 0.00 60.65 58.46 1fex h LYS 38 Cb 0.90 0.06 -0.33 0.00 0.08 0.00 0.00 32.23 32.94 1fex h LYS 38 CO -0.24 0.97 -0.97 0.45 -0.57 0.00 0.00 179.45 179.09 1fex n SER 39 N -3.89 -0.40 -4.96 0.86 2.88 -0.06 -5.13 113.62 102.92 1fex n SER 39 Ca -0.04 -2.96 -0.23 0.00 -1.33 0.00 0.00 58.87 54.32 1fex n SER 39 Cb 0.67 -0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.15 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 -1.58 5.61 0.08 -3.46 0.15 0.37 -4.78 113.70 110.09 1fex s SER 40 Ca 0.35 0.21 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 1fex s SER 40 Cb 0.23 -1.31 -0.21 0.00 -1.71 0.00 0.00 66.02 63.02 1fex s SER 40 CO -0.12 -0.89 1.21 0.25 1.20 0.00 0.00 173.24 174.89 1fex h LEU 41 N 0.24 0.85 0.00 3.45 7.12 -1.95 -3.46 115.31 121.55 1fex h LEU 41 Ca -0.45 -0.68 0.00 0.00 0.13 0.00 0.00 57.88 56.88 1fex h LEU 41 Cb 1.27 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1fex h LEU 41 CO 0.56 1.48 0.00 0.35 -0.13 0.00 0.00 178.44 180.70 1fex n THR 42 N -3.83 0.00 -3.87 1.05 -2.24 -1.26 -5.08 114.28 99.05 1fex n THR 42 Ca -0.10 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1fex n THR 42 Cb 0.88 -0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.09 2.04 0.13 -0.78 0.74 -1.26 -5.07 119.66 116.55 1fex s GLN 43 Ca 0.00 -2.31 -0.16 0.00 0.05 0.00 0.00 55.36 52.94 1fex s GLN 43 Cb 0.00 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.69 1fex s GLN 43 CO 0.00 -1.09 0.40 -1.01 -0.55 0.00 0.00 175.29 173.05 1fex s HIS 44 N 0.25 -0.16 0.00 1.67 3.76 -1.26 -4.91 115.29 114.64 1fex s HIS 44 Ca 0.14 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1fex s HIS 44 Cb -0.22 0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1fex s HIS 44 CO -0.03 -0.72 0.00 -1.13 -0.85 0.00 0.00 174.74 172.01 1fex n SER 45 N -0.23 -0.15 -0.07 1.40 3.41 -1.26 -4.70 113.62 112.02 1fex n SER 45 Ca -0.15 -0.79 -0.17 0.00 -0.26 0.00 0.00 58.87 57.50 1fex n SER 45 Cb 0.64 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.81 0.53 -0.05 7.33 4.27 -1.26 -4.15 117.44 122.29 1fex n TRP 46 Ca 0.00 0.13 -0.15 0.00 -3.89 0.00 0.00 57.50 53.59 1fex n TRP 46 Cb 0.00 -1.08 -0.07 0.00 -1.36 0.00 0.00 31.31 28.81 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 0.02 0.63 -0.35 -2.67 4.15 -1.95 -1.62 115.11 113.32 1fex h GLN 47 Ca -0.49 -0.44 0.10 0.00 0.77 0.00 0.00 58.65 58.59 1fex h GLN 47 Cb 2.01 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.75 1fex h GLN 47 CO 0.01 1.06 0.29 1.03 -1.93 0.00 0.00 178.83 179.29 1fex h SER 48 N 0.30 0.00 0.13 -0.69 0.87 -1.97 0.25 113.55 112.44 1fex h SER 48 Ca -0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.25 1fex h SER 48 Cb 1.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1fex h SER 48 CO 0.10 0.00 -1.54 -0.07 -0.53 0.00 0.00 176.83 174.79 1fex h LEU 49 N 0.00 0.42 -1.55 2.23 3.38 -1.69 -3.10 115.31 115.01 1fex h LEU 49 Ca 0.17 -0.87 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 1fex h LEU 49 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1fex h LEU 49 CO -0.00 1.68 -0.23 0.50 0.09 0.00 0.00 178.44 180.47 1fex h LYS 50 N -0.20 0.00 0.09 1.13 3.11 -0.34 -1.77 116.57 118.59 1fex h LYS 50 Ca -0.33 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 1fex h LYS 50 Cb 1.85 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.08 1fex h LYS 50 CO 0.08 0.23 -0.05 0.22 -2.81 0.00 0.00 179.45 177.13 1fex h ASP 51 N 0.00 -0.11 -0.89 4.20 3.58 -0.66 -3.00 116.42 119.55 1fex h ASP 51 Ca -0.00 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1fex h ASP 51 Cb 0.42 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1fex h ASP 51 CO 0.03 0.54 0.49 -0.09 -2.88 0.00 0.00 179.24 177.33 1fex h ARG 52 N -0.92 1.24 0.03 0.28 1.12 -1.52 0.63 114.38 115.25 1fex h ARG 52 Ca -0.01 -0.15 -0.00 0.00 -1.11 0.00 0.00 59.98 58.71 1fex h ARG 52 Cb 0.54 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1fex h ARG 52 CO 0.02 0.91 -0.01 -0.92 -3.11 0.00 0.00 179.97 176.86 1fex h TYR 53 N 1.25 -0.03 0.00 2.20 3.20 -1.44 -2.53 116.97 119.62 1fex h TYR 53 Ca 0.31 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 1fex h TYR 53 Cb 0.03 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1fex h TYR 53 CO 0.01 0.01 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.23 1fex h LEU 54 N -0.06 0.00 0.19 2.82 3.38 -1.36 0.78 115.31 121.05 1fex h LEU 54 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1fex h LEU 54 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1fex h LEU 54 CO 0.01 0.23 -0.10 0.11 0.09 0.00 0.00 178.44 178.78 1fex h LYS 55 N 0.00 -0.26 0.00 1.13 1.79 0.70 -3.42 116.57 116.51 1fex h LYS 55 Ca -0.00 0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 1fex h LYS 55 Cb 1.04 0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 31.62 1fex h LYS 55 CO 0.03 -0.18 -0.23 -2.39 -1.08 0.00 0.00 179.45 175.61 1fex n HIS 56 N -5.22 -1.92 0.05 -1.35 1.44 -1.06 -5.01 115.22 102.15 1fex n HIS 56 Ca -0.09 -1.58 0.00 0.00 -2.01 0.00 0.00 57.72 54.05 1fex n HIS 56 Cb 0.14 1.47 0.00 0.00 0.12 0.00 0.00 29.99 31.72 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 0.11 0.00 2.39 4.77 -0.64 -5.03 117.00 117.82 1fex n LEU 57 Ca -0.10 0.16 0.07 0.00 -0.03 0.00 0.00 56.01 56.11 1fex n LEU 57 Cb 0.81 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1fex n LEU 57 CO -0.10 -0.52 -0.10 0.54 -1.33 0.00 0.00 177.39 175.89 1fex n ARG 58 N -3.01 -1.06 0.00 3.23 1.74 0.17 -5.03 116.66 112.70 1fex n ARG 58 Ca 0.00 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1fex n ARG 58 Cb 0.10 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52