#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 1.16 -0.23 1.61 3.03 -1.26 -5.02 118.95 118.24 1fex s ARG 2 Ca 0.00 -1.52 0.15 0.00 2.03 0.00 0.00 55.73 56.39 1fex s ARG 2 Cb 0.00 0.29 0.47 0.00 -1.03 0.00 0.00 34.95 34.67 1fex s ARG 2 CO 0.00 -0.38 1.17 -0.89 -1.13 0.00 0.00 175.30 174.06 1fex n ILE 3 N -0.23 1.76 -0.98 4.99 -0.00 -1.26 -5.12 119.36 118.51 1fex n ILE 3 Ca -0.01 -3.26 0.13 0.00 -0.00 0.00 0.00 62.75 59.62 1fex n ILE 3 Cb 0.65 0.07 -0.03 0.00 -0.00 0.00 0.00 39.64 40.32 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 -0.59 -3.19 -3.59 -1.39 0.00 -1.26 -4.84 120.51 105.66 1fex n ALA 4 Ca 0.23 0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.74 1fex n ALA 4 Cb 0.89 -1.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.91 0.14 0.00 0.00 0.40 -1.26 -5.13 117.98 110.21 1fex s PHE 5 Ca 0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1fex s PHE 5 Cb 0.00 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.87 1fex s PHE 5 CO 0.00 -0.54 0.00 -2.37 0.70 0.00 0.00 175.22 173.01 1fex n THR 6 N 5.28 0.00 0.04 0.64 5.66 -1.26 -4.85 114.28 119.79 1fex n THR 6 Ca -0.07 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 1fex n THR 6 Cb 0.49 -1.33 -0.14 0.00 -1.55 0.00 0.00 70.33 67.80 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 -0.14 0.37 -0.35 1.09 5.19 -2.01 -3.17 116.42 117.41 1fex h ASP 7 Ca 0.00 -0.61 -0.02 0.00 -0.62 0.00 0.00 57.03 55.78 1fex h ASP 7 Cb 0.00 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 1fex h ASP 7 CO 0.00 1.53 0.17 0.00 -3.12 0.00 0.00 179.24 177.82 1fex h ALA 8 N 0.42 1.57 -0.01 3.45 0.00 -2.00 -2.38 119.26 120.31 1fex h ALA 8 Ca -0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1fex h ALA 8 Cb 2.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1fex h ALA 8 CO 0.14 0.34 -0.09 -0.44 0.00 0.00 0.00 179.25 179.20 1fex h ASP 9 N 0.55 0.09 -0.47 0.00 5.19 -1.93 -2.73 116.42 117.11 1fex h ASP 9 Ca 0.14 -0.72 0.14 0.00 -0.62 0.00 0.00 57.03 55.96 1fex h ASP 9 Cb 0.09 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1fex h ASP 9 CO -0.02 0.80 0.37 0.44 -3.12 0.00 0.00 179.24 177.72 1fex h ASP 10 N -0.61 0.00 0.11 6.45 5.19 -1.48 0.31 116.42 126.39 1fex h ASP 10 Ca -0.01 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.15 1fex h ASP 10 Cb 0.80 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.34 1fex h ASP 10 CO 0.02 0.00 -1.04 0.58 -3.12 0.00 0.00 179.24 175.68 1fex h VAL 11 N 0.00 1.36 -0.20 -1.35 2.07 -1.42 -1.65 116.25 115.06 1fex h VAL 11 Ca 0.23 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.22 1fex h VAL 11 Cb 0.97 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1fex h VAL 11 CO -0.00 0.72 -0.31 0.00 0.02 0.00 0.00 177.57 178.00 1fex h ALA 12 N 0.24 0.31 -0.37 1.67 0.00 -0.81 -1.27 119.26 119.03 1fex h ALA 12 Ca -0.16 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1fex h ALA 12 Cb 1.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1fex h ALA 12 CO 0.20 0.34 -0.05 0.82 0.00 0.00 0.00 179.25 180.56 1fex h ILE 13 N 0.24 1.27 0.82 0.00 1.08 -0.56 -1.04 117.51 119.33 1fex h ILE 13 Ca 0.02 -1.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.37 1fex h ILE 13 Cb 0.89 1.23 0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1fex h ILE 13 CO 0.07 0.36 -0.40 0.25 -0.69 0.00 0.00 178.15 177.74 1fex h LEU 14 N 0.49 -0.94 -0.38 1.44 5.85 -1.31 -0.90 115.31 119.57 1fex h LEU 14 Ca 0.10 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1fex h LEU 14 Cb 0.54 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 1fex h LEU 14 CO 0.03 -0.59 -0.05 0.74 -0.34 0.00 0.00 178.44 178.23 1fex h THR 15 N -1.27 0.67 0.01 1.05 2.02 -1.28 0.15 112.91 114.26 1fex h THR 15 Ca -0.11 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1fex h THR 15 Cb 0.86 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1fex h THR 15 CO 0.19 0.01 -0.15 0.22 0.37 0.00 0.00 175.52 176.15 1fex h TYR 16 N 0.05 -0.39 0.38 3.16 5.03 -1.18 0.71 116.97 124.73 1fex h TYR 16 Ca 0.18 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 1fex h TYR 16 Cb 0.27 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 1fex h TYR 16 CO -0.30 -0.22 -0.20 0.28 -1.32 0.00 0.00 178.16 176.40 1fex h VAL 17 N -0.26 0.58 0.00 1.81 2.07 -0.64 -1.46 116.25 118.35 1fex h VAL 17 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1fex h VAL 17 Cb 0.31 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1fex h VAL 17 CO -0.14 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.62 1fex n LYS 18 N -5.33 0.07 -0.05 1.57 4.81 0.47 -0.59 118.16 119.11 1fex n LYS 18 Ca -0.10 0.46 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 1fex n LYS 18 Cb 0.24 -1.69 -0.15 0.00 0.02 0.00 0.00 35.03 33.46 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 -1.84 0.66 -0.12 1.64 1.02 0.23 -4.44 120.64 117.80 1fex n GLU 19 Ca 0.01 0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 57.11 1fex n GLU 19 Cb 0.10 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.74 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 -2.99 1.87 0.00 1.62 3.02 -0.63 -4.80 115.26 113.35 1fex n ASN 20 Ca -0.25 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1fex n ASN 20 Cb 1.09 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 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 -3.79 0.00 -1.94 5.41 0.00 0.24 -4.76 120.51 115.67 1fex n ALA 21 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1fex n ALA 21 Cb 0.86 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 1fex n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fex n ARG 22 N -0.48 -1.83 -3.52 0.00 1.74 -1.26 -4.83 116.66 106.49 1fex n ARG 22 Ca 0.00 0.58 -0.14 0.00 -0.77 0.00 0.00 57.85 57.52 1fex n ARG 22 Cb 0.00 -5.00 -0.05 0.00 -1.02 0.00 0.00 32.46 26.39 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fex s SER 23 N -1.98 -0.53 -1.22 0.55 1.04 -1.26 -5.04 113.70 105.26 1fex s SER 23 Ca 0.00 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 1fex s SER 23 Cb 0.00 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 1fex s SER 23 CO 0.00 -0.58 2.41 -0.81 0.98 0.00 0.00 173.24 175.25 1fex n PRO 24 N 0.55 2.69 0.00 4.02 -0.04 -1.26 -3.48 135.00 137.48 1fex n PRO 24 Ca -0.15 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1fex n PRO 24 Cb 0.59 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.53 0.00 0.06 3.54 2.88 -1.26 -4.88 113.62 118.49 1fex n SER 25 Ca 0.58 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 58.00 1fex n SER 25 Cb 0.22 0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.17 0.11 -3.46 0.02 -1.88 0.58 113.55 108.75 1fex h SER 26 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1fex h SER 26 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1fex h SER 26 CO 0.00 0.30 0.00 -0.37 -1.14 0.00 0.00 176.83 175.62 1fex h VAL 27 N -0.70 0.00 -0.14 2.27 -1.51 -1.94 -2.79 116.25 111.44 1fex h VAL 27 Ca -0.02 -0.05 -0.17 0.00 -1.23 0.00 0.00 66.70 65.23 1fex h VAL 27 Cb 0.51 1.05 -0.26 0.00 -2.13 0.00 0.00 31.29 30.46 1fex h VAL 27 CO 0.03 0.00 -0.84 1.07 -1.23 0.00 0.00 177.57 176.61 1fex n THR 28 N -3.08 1.23 -0.71 7.19 5.66 -1.15 -4.75 114.28 118.67 1fex n THR 28 Ca -0.03 -2.41 0.00 0.00 -3.05 0.00 0.00 64.05 58.56 1fex n THR 28 Cb 0.09 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.35 -0.80 2.16 1.09 0.00 0.20 -4.88 105.19 102.61 1fex n GLY 29 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.10 -3.80 -0.09 1.61 3.02 -1.24 -4.80 115.26 109.85 1fex n ASN 30 Ca 0.00 0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.74 1fex n ASN 30 Cb 0.35 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 36.08 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 0.63 0.65 0.18 5.41 0.00 -1.26 -2.90 120.51 123.23 1fex n ALA 31 Ca -0.13 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.84 1fex n ALA 31 Cb 0.46 -0.20 0.43 0.00 0.00 0.00 0.00 19.45 20.14 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 0.07 -0.01 0.00 5.85 -1.87 -1.99 115.31 116.36 1fex h LEU 32 Ca -0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1fex h LEU 32 Cb 0.91 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1fex h LEU 32 CO -0.11 0.29 -0.06 -0.50 -0.34 0.00 0.00 178.44 177.73 1fex h TRP 33 N 0.07 0.07 -0.61 1.25 4.06 -1.82 -3.05 115.95 115.92 1fex h TRP 33 Ca 0.01 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.00 1fex h TRP 33 Cb 0.43 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 1fex h TRP 33 CO 0.00 0.76 0.40 0.87 -3.56 0.00 0.00 178.44 176.91 1fex h LYS 34 N -0.64 0.54 -0.80 0.49 1.79 -1.39 -0.94 116.57 115.62 1fex h LYS 34 Ca -0.01 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1fex h LYS 34 Cb 0.77 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1fex h LYS 34 CO 0.01 0.36 0.38 0.00 -1.08 0.00 0.00 179.45 179.13 1fex h ALA 35 N 1.68 1.03 0.13 3.86 0.00 -1.36 -2.73 119.26 121.86 1fex h ALA 35 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fex h ALA 35 Cb 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fex h ALA 35 CO -0.08 0.60 -0.06 0.52 0.00 0.00 0.00 179.25 180.23 1fex h MET 36 N 1.13 -0.17 -0.43 0.00 2.86 -1.07 0.17 114.93 117.43 1fex h MET 36 Ca 0.27 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.05 1fex h MET 36 Cb 0.12 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1fex h MET 36 CO -0.03 -0.06 0.41 1.49 1.06 0.00 0.00 176.91 179.78 1fex h GLU 37 N -0.24 0.00 0.09 1.72 4.22 -1.29 0.68 114.58 119.75 1fex h GLU 37 Ca -0.02 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.10 1fex h GLU 37 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1fex h GLU 37 CO 0.03 0.00 -1.77 -0.22 -2.18 0.00 0.00 179.01 174.87 1fex h LYS 38 N 0.00 0.18 -0.98 1.92 3.64 -1.08 -3.43 116.57 116.82 1fex h LYS 38 Ca 0.20 -0.31 -0.32 0.00 -1.27 0.00 0.00 60.65 58.95 1fex h LYS 38 Cb 1.02 0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.73 1fex h LYS 38 CO -0.00 0.97 -0.68 0.43 -2.27 0.00 0.00 179.45 177.90 1fex n SER 39 N -3.34 -2.10 -4.93 4.20 7.64 0.53 -5.11 113.62 110.50 1fex n SER 39 Ca -0.23 -2.96 -0.24 0.00 1.01 0.00 0.00 58.87 56.45 1fex n SER 39 Cb 1.05 0.99 0.01 0.00 -1.01 0.00 0.00 64.21 65.25 1fex n SER 39 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1fex s SER 40 N -0.71 4.76 -0.02 6.43 1.04 0.22 -4.57 113.70 120.86 1fex s SER 40 Ca 0.32 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1fex s SER 40 Cb 0.13 0.32 -0.26 0.00 0.10 0.00 0.00 66.02 66.32 1fex s SER 40 CO -0.16 -1.13 0.76 0.25 0.98 0.00 0.00 173.24 173.94 1fex h LEU 41 N 0.64 0.27 0.00 2.42 5.85 -1.97 -3.47 115.31 119.04 1fex h LEU 41 Ca -0.35 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 57.94 1fex h LEU 41 Cb 1.30 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1fex h LEU 41 CO 0.53 1.37 0.00 0.41 -0.34 0.00 0.00 178.44 180.41 1fex n THR 42 N -3.35 0.00 -3.83 1.05 -1.04 -1.26 -5.11 114.28 100.74 1fex n THR 42 Ca -0.18 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 1fex n THR 42 Cb 1.04 -0.36 -0.16 0.00 -1.82 0.00 0.00 70.33 69.03 1fex n THR 42 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1fex s GLN 43 N 3.08 1.09 0.01 -2.82 0.74 -1.26 -5.07 119.66 115.44 1fex s GLN 43 Ca 0.00 -0.86 -0.28 0.00 0.05 0.00 0.00 55.36 54.27 1fex s GLN 43 Cb 0.00 -2.33 0.09 0.00 1.10 0.00 0.00 33.01 31.87 1fex s GLN 43 CO 0.00 -0.72 0.80 -1.01 -0.55 0.00 0.00 175.29 173.81 1fex s HIS 44 N 1.57 -0.44 0.16 1.67 3.76 -1.26 -5.04 115.29 115.71 1fex s HIS 44 Ca 0.00 0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 55.13 1fex s HIS 44 Cb -0.18 0.51 -0.08 0.00 1.11 0.00 0.00 32.58 33.95 1fex s HIS 44 CO -0.11 -0.60 0.68 -1.54 -0.85 0.00 0.00 174.74 172.31 1fex s SER 45 N -2.19 7.12 0.50 1.40 1.04 -1.26 -4.41 113.70 115.90 1fex s SER 45 Ca 0.01 1.40 0.24 0.00 0.48 0.00 0.00 55.95 58.08 1fex s SER 45 Cb -0.01 -2.41 1.31 0.00 0.10 0.00 0.00 66.02 65.01 1fex s SER 45 CO -0.06 0.15 1.93 4.11 0.98 0.00 0.00 173.24 180.35 1fex h TRP 46 N 3.97 0.17 -0.39 5.02 5.08 -1.91 -0.97 115.95 126.93 1fex h TRP 46 Ca -0.48 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.49 1fex h TRP 46 Cb 1.20 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 1fex h TRP 46 CO 0.65 0.06 0.23 1.96 -1.28 0.00 0.00 178.44 180.06 1fex h GLN 47 N 0.14 0.53 -0.12 0.12 1.08 -1.92 0.20 115.11 115.14 1fex h GLN 47 Ca 0.36 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.43 1fex h GLN 47 Cb 1.23 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1fex h GLN 47 CO -0.05 0.40 -0.31 1.03 -0.95 0.00 0.00 178.83 178.94 1fex h SER 48 N 0.51 0.23 0.74 1.46 0.87 -1.58 -1.47 113.55 114.31 1fex h SER 48 Ca 0.14 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 1fex h SER 48 Cb 0.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1fex h SER 48 CO -0.03 0.54 -0.78 -0.07 -0.53 0.00 0.00 176.83 175.96 1fex h LEU 49 N 0.20 0.04 0.16 2.23 3.38 -1.00 -2.07 115.31 118.25 1fex h LEU 49 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1fex h LEU 49 Cb 0.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1fex h LEU 49 CO 0.05 0.80 -0.08 0.50 0.09 0.00 0.00 178.44 179.80 1fex h LYS 50 N 0.02 -0.21 -0.22 1.13 1.63 -0.25 -2.78 116.57 115.90 1fex h LYS 50 Ca -0.01 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1fex h LYS 50 Cb 1.38 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.04 1fex h LYS 50 CO 0.10 0.19 0.11 0.22 -3.45 0.00 0.00 179.45 176.63 1fex h ASP 51 N -0.92 0.25 -0.39 4.20 3.58 -1.38 -2.37 116.42 119.40 1fex h ASP 51 Ca -0.02 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 1fex h ASP 51 Cb 0.49 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1fex h ASP 51 CO 0.04 0.21 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.51 1fex h ARG 52 N 0.30 0.70 -0.76 0.28 9.65 -1.42 0.38 114.38 123.51 1fex h ARG 52 Ca 0.08 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1fex h ARG 52 Cb 0.02 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 1fex h ARG 52 CO -0.01 0.80 0.50 -0.92 2.80 0.00 0.00 179.97 183.14 1fex h TYR 53 N 0.52 0.94 -0.00 2.20 3.20 -1.13 -1.57 116.97 121.13 1fex h TYR 53 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1fex h TYR 53 Cb 0.49 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1fex h TYR 53 CO 0.04 0.57 -0.49 1.28 -1.64 0.00 0.00 178.16 177.92 1fex n LEU 54 N -4.43 0.71 -0.03 2.82 4.77 -1.11 0.41 117.00 120.15 1fex n LEU 54 Ca 0.09 -0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1fex n LEU 54 Cb 0.06 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1fex n LEU 54 CO 0.36 0.16 0.40 0.11 -1.33 0.00 0.00 177.39 177.09 1fex h LYS 55 N 0.35 0.38 0.00 3.23 1.79 0.81 -3.43 116.57 119.70 1fex h LYS 55 Ca 0.00 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.05 1fex h LYS 55 Cb 0.51 0.07 -0.10 0.00 -1.58 0.00 0.00 32.23 31.13 1fex h LYS 55 CO 0.00 0.96 -0.22 -2.39 -1.08 0.00 0.00 179.45 176.72 1fex n HIS 56 N -4.36 -0.08 -0.02 -1.35 1.44 -1.16 -4.99 115.22 104.70 1fex n HIS 56 Ca -0.08 -0.42 -0.04 0.00 -2.01 0.00 0.00 57.72 55.16 1fex n HIS 56 Cb 0.54 0.48 -0.01 0.00 0.12 0.00 0.00 29.99 31.12 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 -0.06 0.99 -4.72 2.39 4.77 -1.07 -5.05 117.00 114.26 1fex n LEU 57 Ca -0.21 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.51 1fex n LEU 57 Cb 0.60 -0.12 0.15 0.00 -2.33 0.00 0.00 43.42 41.72 1fex n LEU 57 CO -0.11 0.21 0.67 -0.60 -1.33 0.00 0.00 177.39 176.23 1fex s ARG 58 N -2.07 0.92 0.00 3.23 3.52 0.17 -5.02 118.95 119.69 1fex s ARG 58 Ca -0.05 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1fex s ARG 58 Cb 0.02 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 1fex s ARG 58 CO 0.07 -2.41 0.00 0.41 -0.81 0.00 0.00 175.30 172.56