#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgg n THR 8 N 0.00 3.47 -1.38 -3.48 -2.24 -1.26 -3.92 114.28 105.47 1sgg n THR 8 Ca 0.00 -1.97 0.02 0.00 -2.27 0.00 0.00 64.05 59.83 1sgg n THR 8 Cb 0.00 -2.16 0.03 0.00 -2.10 0.00 0.00 70.33 66.10 1sgg n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sgg n SER 9 N 2.71 0.68 -4.78 3.42 2.88 -1.26 -5.07 113.62 112.21 1sgg n SER 9 Ca 0.54 -2.00 -0.31 0.00 -1.33 0.00 0.00 58.87 55.78 1sgg n SER 9 Cb 0.68 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1sgg n SER 9 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1sgg s PHE 10 N -0.69 3.19 -0.15 0.66 0.08 -1.25 -5.01 117.98 114.80 1sgg s PHE 10 Ca 0.07 0.08 0.19 0.00 0.12 0.00 0.00 56.93 57.39 1sgg s PHE 10 Cb 0.06 -1.62 -0.27 0.00 -0.57 0.00 0.00 43.02 40.61 1sgg s PHE 10 CO 0.01 0.52 0.18 -1.71 -0.10 0.00 0.00 175.22 174.12 1sgg n ASN 11 N 0.48 0.00 -3.43 1.36 5.15 -1.26 -5.01 115.26 112.54 1sgg n ASN 11 Ca -0.09 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.82 1sgg n ASN 11 Cb 0.52 1.26 0.00 0.00 -0.53 0.00 0.00 39.78 41.03 1sgg n ASN 11 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1sgg s THR 12 N -2.76 0.00 0.59 -0.44 -4.23 -1.26 -4.98 115.64 102.56 1sgg s THR 12 Ca -0.09 -0.95 0.29 0.00 -1.18 0.00 0.00 61.69 59.75 1sgg s THR 12 Cb 0.08 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.89 1sgg s THR 12 CO 0.85 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 177.39 1sgg h VAL 13 N 2.00 0.35 -0.54 2.29 2.07 -1.81 0.14 116.25 120.75 1sgg h VAL 13 Ca -0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1sgg h VAL 13 Cb 1.25 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1sgg h VAL 13 CO 0.31 0.00 0.11 -0.78 0.02 0.00 0.00 177.57 177.23 1sgg h ASP 14 N 0.00 0.84 1.36 0.57 1.82 -1.91 0.20 116.42 119.30 1sgg h ASP 14 Ca 0.22 -0.25 -0.07 0.00 -0.39 0.00 0.00 57.03 56.54 1sgg h ASP 14 Cb 1.21 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 1sgg h ASP 14 CO -0.00 0.87 -0.32 -0.33 -1.61 0.00 0.00 179.24 177.85 1sgg h GLU 15 N 0.77 0.00 0.00 0.28 4.39 -1.13 -3.02 114.58 115.88 1sgg h GLU 15 Ca 0.17 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1sgg h GLU 15 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1sgg h GLU 15 CO 0.01 0.32 -0.23 2.35 -1.16 0.00 0.00 179.01 180.29 1sgg h TRP 16 N 0.00 0.00 -0.12 4.33 7.01 -1.05 -3.31 115.95 122.81 1sgg h TRP 16 Ca -0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1sgg h TRP 16 Cb 1.08 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.14 1sgg h TRP 16 CO 0.00 0.59 0.22 -0.07 -2.79 0.00 0.00 178.44 176.39 1sgg h LEU 17 N -1.00 0.00 -1.89 0.65 3.38 -0.71 0.17 115.31 115.90 1sgg h LEU 17 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1sgg h LEU 17 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1sgg h LEU 17 CO -0.03 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.92 1sgg h ASP 18 N 0.00 0.00 0.76 -0.43 5.19 -1.61 -1.63 116.42 118.69 1sgg h ASP 18 Ca 0.06 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.21 1sgg h ASP 18 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1sgg h ASP 18 CO -0.00 0.03 -1.24 0.00 -3.12 0.00 0.00 179.24 174.91 1sgg h ALA 19 N 1.97 0.34 -0.45 3.45 0.00 -0.79 -3.26 119.26 120.52 1sgg h ALA 19 Ca -0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 54.91 53.83 1sgg h ALA 19 Cb 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1sgg h ALA 19 CO 0.00 1.22 0.09 0.44 0.00 0.00 0.00 179.25 181.00 1sgg n ILE 20 N -3.37 2.02 -3.40 0.00 -5.35 -0.99 -4.92 119.36 103.35 1sgg n ILE 20 Ca -0.07 -1.03 -0.18 0.00 -0.27 0.00 0.00 62.75 61.21 1sgg n ILE 20 Cb 0.99 -0.41 0.04 0.00 -1.74 0.00 0.00 39.64 38.52 1sgg n ILE 20 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sgg n LYS 21 N 0.22 -1.59 -2.04 6.28 5.02 -1.14 -4.94 118.16 119.97 1sgg n LYS 21 Ca 0.23 0.88 -0.11 0.00 -2.02 0.00 0.00 58.31 57.30 1sgg n LYS 21 Cb 0.98 -4.91 0.05 0.00 -0.02 0.00 0.00 35.03 31.13 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sgg n MET 22 N -3.11 2.53 0.20 1.97 2.81 -0.65 -4.83 117.12 116.04 1sgg n MET 22 Ca -0.08 -3.70 0.18 0.00 -1.81 0.00 0.00 57.70 52.29 1sgg n MET 22 Cb 0.59 -1.83 0.82 0.00 -0.71 0.00 0.00 33.22 32.09 1sgg n MET 22 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1sgg h SER 23 N 2.07 0.00 -0.56 7.83 0.87 -1.92 0.13 113.55 121.96 1sgg h SER 23 Ca 0.13 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.47 1sgg h SER 23 Cb 1.42 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.25 1sgg h SER 23 CO 0.44 0.00 0.27 0.00 -0.53 0.00 0.00 176.83 177.02 1sgg n GLN 24 N -3.50 2.54 -0.41 2.24 6.02 -1.26 -4.01 117.38 118.99 1sgg n GLN 24 Ca 0.02 -2.07 0.06 0.00 -0.01 0.00 0.00 57.00 55.01 1sgg n GLN 24 Cb 0.43 -1.88 0.10 0.00 1.02 0.00 0.00 30.24 29.91 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sgg n TYR 25 N -0.21 0.00 0.00 1.08 4.02 0.44 -4.75 117.16 117.74 1sgg n TYR 25 Ca 0.32 -0.73 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1sgg n TYR 25 Cb 1.14 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 1sgg n TYR 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1sgg n LYS 26 N -0.78 0.00 0.25 -0.72 4.01 -1.26 -2.13 118.16 117.53 1sgg n LYS 26 Ca 0.11 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.04 1sgg n LYS 26 Cb 0.71 -0.97 0.57 0.00 -0.51 0.00 0.00 35.03 34.84 1sgg n LYS 26 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1sgg h GLU 27 N 0.00 0.00 0.26 1.97 5.08 -1.93 -3.01 114.58 116.95 1sgg h GLU 27 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sgg h GLU 27 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sgg h GLU 27 CO 0.00 0.11 -0.13 1.03 -1.00 0.00 0.00 179.01 179.03 1sgg h SER 28 N 0.00 -0.30 -0.35 1.42 0.87 -1.81 -2.67 113.55 110.71 1sgg h SER 28 Ca -0.00 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1sgg h SER 28 Cb 0.62 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1sgg h SER 28 CO 0.01 -0.20 -0.24 -0.26 -0.53 0.00 0.00 176.83 175.62 1sgg h PHE 29 N -0.37 0.98 -0.05 2.24 -1.00 -1.41 -2.56 116.94 114.77 1sgg h PHE 29 Ca -0.04 -0.23 0.02 0.00 2.81 0.00 0.00 57.97 60.53 1sgg h PHE 29 Cb 0.28 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 1sgg h PHE 29 CO -0.06 1.00 0.23 0.00 -1.61 0.00 0.00 178.31 177.88 1sgg h ALA 30 N 0.99 1.37 0.32 2.45 0.00 -1.38 -1.54 119.26 121.48 1sgg h ALA 30 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sgg h ALA 30 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sgg h ALA 30 CO 0.06 -0.26 -0.16 1.03 0.00 0.00 0.00 179.25 179.93 1sgg h SER 31 N 0.00 -0.37 0.58 0.00 0.87 -1.11 -2.95 113.55 110.57 1sgg h SER 31 Ca 0.03 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1sgg h SER 31 Cb 0.49 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1sgg h SER 31 CO -0.00 -0.01 -0.03 0.00 -0.53 0.00 0.00 176.83 176.26 1sgg h ALA 32 N -0.26 1.05 0.00 6.23 0.00 -1.53 -3.45 119.26 121.29 1sgg h ALA 32 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sgg h ALA 32 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sgg h ALA 32 CO 0.07 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1sgg n GLY 33 N -0.44 1.86 2.56 0.00 0.00 -1.02 -5.01 105.19 103.14 1sgg n GLY 33 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1sgg n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgg n PHE 34 N -0.41 2.42 -0.07 1.61 3.72 -0.64 -4.02 117.46 120.08 1sgg n PHE 34 Ca 0.00 -2.50 -0.07 0.00 -0.05 0.00 0.00 57.45 54.83 1sgg n PHE 34 Cb 0.00 -1.53 -0.02 0.00 -0.94 0.00 0.00 39.48 36.99 1sgg n PHE 34 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sgg n THR 35 N 0.92 1.19 -2.20 4.37 -2.24 -1.26 -4.34 114.28 110.72 1sgg n THR 35 Ca 0.55 0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 62.29 1sgg n THR 35 Cb 0.32 -2.18 0.16 0.00 -2.10 0.00 0.00 70.33 66.54 1sgg n THR 35 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sgg n THR 36 N -4.06 0.00 -2.92 4.28 -2.24 -1.26 -2.79 114.28 105.29 1sgg n THR 36 Ca -0.11 -1.20 -0.44 0.00 -2.27 0.00 0.00 64.05 60.04 1sgg n THR 36 Cb 0.41 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.36 1sgg n THR 36 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1sgg s PHE 37 N -3.42 3.12 0.00 4.78 0.40 -1.26 -4.43 117.98 117.17 1sgg s PHE 37 Ca 0.68 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1sgg s PHE 37 Cb -0.03 -4.29 0.00 0.00 0.51 0.00 0.00 43.02 39.21 1sgg s PHE 37 CO 0.47 -1.49 0.00 -0.25 0.70 0.00 0.00 175.22 174.65 1sgg n ASP 38 N 6.55 0.00 -0.08 1.36 9.92 -1.26 -4.94 116.55 128.11 1sgg n ASP 38 Ca 0.25 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.38 1sgg n ASP 38 Cb 0.49 0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.91 1sgg n ASP 38 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1sgg h ILE 39 N 0.00 0.05 0.00 0.53 2.04 -1.79 0.72 117.51 119.07 1sgg h ILE 39 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sgg h ILE 39 Cb 0.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1sgg h ILE 39 CO 0.00 0.00 0.05 1.62 0.00 0.00 0.00 178.15 179.82 1sgg h VAL 40 N -0.44 0.00 -0.61 1.67 3.04 -1.80 -1.81 116.25 116.30 1sgg h VAL 40 Ca 0.08 0.00 -0.41 0.00 -1.01 0.00 0.00 66.70 65.37 1sgg h VAL 40 Cb 0.62 0.78 -0.18 0.00 -2.01 0.00 0.00 31.29 30.51 1sgg h VAL 40 CO -0.52 0.00 0.52 -1.20 -1.01 0.00 0.00 177.57 175.36 1sgg n SER 41 N -2.78 6.51 -0.86 3.17 7.64 0.25 -3.97 113.62 123.59 1sgg n SER 41 Ca -0.02 -3.23 -0.03 0.00 1.01 0.00 0.00 58.87 56.59 1sgg n SER 41 Cb 0.11 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 1sgg n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sgg n GLN 42 N -0.02 0.05 -3.26 1.43 6.02 -0.68 -4.51 117.38 116.41 1sgg n GLN 42 Ca 0.38 -0.53 -0.17 0.00 -0.01 0.00 0.00 57.00 56.67 1sgg n GLN 42 Cb 0.65 0.48 -0.03 0.00 1.02 0.00 0.00 30.24 32.36 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sgg n MET 43 N -0.06 1.23 0.00 -1.09 0.00 -1.25 -5.08 117.12 110.87 1sgg n MET 43 Ca -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 57.70 55.55 1sgg n MET 43 Cb 0.50 0.44 0.00 0.00 0.00 0.00 0.00 33.22 34.16 1sgg n MET 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sgg n THR 44 N -0.87 0.00 0.07 3.17 -2.24 -1.26 -5.03 114.28 108.12 1sgg n THR 44 Ca -0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 1sgg n THR 44 Cb 0.35 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1sgg n THR 44 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1sgg n VAL 45 N 0.00 0.86 0.22 2.28 3.14 -1.26 -3.90 118.33 119.66 1sgg n VAL 45 Ca 0.00 -0.61 0.08 0.00 -2.96 0.00 0.00 64.34 60.85 1sgg n VAL 45 Cb 0.00 -0.51 0.50 0.00 -1.06 0.00 0.00 33.84 32.77 1sgg n VAL 45 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1sgg h GLU 46 N 0.00 0.00 0.08 1.45 4.39 -1.99 -2.95 114.58 115.56 1sgg h GLU 46 Ca -0.07 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.36 1sgg h GLU 46 Cb 1.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1sgg h GLU 46 CO 0.02 0.26 -1.14 -0.44 -1.16 0.00 0.00 179.01 176.55 1sgg h ASP 47 N 0.00 0.67 -0.85 1.42 3.32 -1.97 -3.27 116.42 115.73 1sgg h ASP 47 Ca -0.00 -0.61 0.13 0.00 0.02 0.00 0.00 57.03 56.57 1sgg h ASP 47 Cb 0.62 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 1sgg h ASP 47 CO 0.03 1.43 0.46 0.40 -1.72 0.00 0.00 179.24 179.84 1sgg h ILE 48 N 0.22 0.79 0.00 0.35 2.04 -1.65 0.40 117.51 119.65 1sgg h ILE 48 Ca -0.14 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1sgg h ILE 48 Cb 1.81 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1sgg h ILE 48 CO 0.21 0.13 0.00 -0.11 0.00 0.00 0.00 178.15 178.37 1sgg n LEU 49 N -4.82 0.68 -0.07 1.44 7.94 -1.23 -1.81 117.00 119.13 1sgg n LEU 49 Ca 0.16 0.70 -0.10 0.00 -1.11 0.00 0.00 56.01 55.66 1sgg n LEU 49 Cb 0.39 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.63 1sgg n LEU 49 CO 0.23 -0.66 0.09 -0.09 -1.11 0.00 0.00 177.39 175.84 1sgg h ARG 50 N 0.00 0.00 -0.42 1.96 2.43 -0.29 -3.31 114.38 114.75 1sgg h ARG 50 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1sgg h ARG 50 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1sgg h ARG 50 CO 0.00 0.59 0.46 -0.39 -1.51 0.00 0.00 179.97 179.12 1sgg h VAL 51 N -1.00 0.36 0.00 0.20 -1.51 -1.45 -3.44 116.25 109.41 1sgg h VAL 51 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1sgg h VAL 51 Cb 0.67 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1sgg h VAL 51 CO -0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.92 1sgg n GLY 52 N -1.49 2.00 2.15 5.19 0.00 -1.20 -4.52 105.19 107.31 1sgg n GLY 52 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1sgg n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sgg n VAL 53 N -0.04 3.06 0.29 1.61 0.31 -0.75 -4.57 118.33 118.24 1sgg n VAL 53 Ca 0.00 -2.27 0.19 0.00 -0.01 0.00 0.00 64.34 62.25 1sgg n VAL 53 Cb 0.00 -1.41 0.99 0.00 -0.91 0.00 0.00 33.84 32.51 1sgg n VAL 53 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1sgg h THR 54 N 1.35 0.24 -1.92 2.52 1.35 -1.85 -3.39 112.91 111.20 1sgg h THR 54 Ca 0.36 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.59 1sgg h THR 54 Cb 0.82 0.90 0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1sgg h THR 54 CO 0.89 0.00 1.10 -0.11 -0.25 0.00 0.00 175.52 177.15 1sgg n LEU 55 N -3.41 3.26 -4.67 3.87 0.00 -1.26 -4.91 117.00 109.88 1sgg n LEU 55 Ca -0.02 0.94 -0.31 0.00 0.00 0.00 0.00 56.01 56.63 1sgg n LEU 55 Cb 0.19 -1.34 0.17 0.00 0.00 0.00 0.00 43.42 42.44 1sgg n LEU 55 CO 0.23 -0.14 0.67 0.00 0.00 0.00 0.00 177.39 178.15 1sgg s ALA 56 N 4.29 1.38 0.00 1.96 0.00 -1.26 -2.46 121.76 125.67 1sgg s ALA 56 Ca 0.95 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1sgg s ALA 56 Cb -0.74 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1sgg s ALA 56 CO 0.53 -2.76 0.00 0.41 0.00 0.00 0.00 175.76 173.94 1sgg n GLY 57 N 0.12 0.97 0.38 0.00 0.00 -1.26 -4.30 105.19 101.09 1sgg n GLY 57 Ca 0.11 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1sgg n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1sgg h HIS 58 N 0.00 0.48 -0.50 1.61 -0.00 -1.91 0.41 115.15 115.24 1sgg h HIS 58 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.27 1sgg h HIS 58 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1sgg h HIS 58 CO 0.00 0.19 -0.15 -0.56 -0.00 0.00 0.00 177.93 177.41 1sgg h GLN 59 N 0.42 0.99 0.00 2.45 3.07 -1.67 -2.80 115.11 117.57 1sgg h GLN 59 Ca 0.37 -0.39 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 1sgg h GLN 59 Cb 0.84 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.35 1sgg h GLN 59 CO -0.12 1.07 -0.13 -0.22 0.09 0.00 0.00 178.83 179.52 1sgg h LYS 60 N 0.85 0.00 0.08 0.06 3.64 -1.30 -3.29 116.57 116.62 1sgg h LYS 60 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1sgg h LYS 60 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1sgg h LYS 60 CO 0.06 0.12 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.10 1sgg h LYS 61 N 0.00 -0.11 -0.10 1.90 3.11 -0.02 -2.77 116.57 118.58 1sgg h LYS 61 Ca -0.00 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1sgg h LYS 61 Cb 1.09 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1sgg h LYS 61 CO 0.02 0.18 0.08 0.82 -2.81 0.00 0.00 179.45 177.73 1sgg h ILE 62 N -0.39 0.89 -0.77 2.00 2.04 -1.60 -2.49 117.51 117.18 1sgg h ILE 62 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1sgg h ILE 62 Cb 0.34 0.95 -0.12 0.00 -0.74 0.00 0.00 36.82 37.24 1sgg h ILE 62 CO 0.02 0.00 0.15 0.25 0.00 0.00 0.00 178.15 178.57 1sgg h LEU 63 N 0.00 -0.08 -0.49 1.44 5.85 -1.55 0.76 115.31 121.24 1sgg h LEU 63 Ca 0.05 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1sgg h LEU 63 Cb 0.20 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1sgg h LEU 63 CO -0.00 -0.10 -0.18 -1.13 -0.34 0.00 0.00 178.44 176.69 1sgg h ASN 64 N 0.21 0.00 0.11 1.25 -0.73 -1.55 -3.24 115.58 111.63 1sgg h ASN 64 Ca 0.45 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 58.36 1sgg h ASN 64 Cb 0.80 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.42 1sgg h ASN 64 CO -0.58 0.18 -1.07 0.28 -0.37 0.00 0.00 177.43 175.86 1sgg h SER 65 N 0.00 0.75 -0.55 1.15 0.02 0.30 -3.19 113.55 112.03 1sgg h SER 65 Ca -0.00 -0.84 0.16 0.00 -0.84 0.00 0.00 61.79 60.27 1sgg h SER 65 Cb 0.96 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1sgg h SER 65 CO 0.02 1.52 0.62 0.40 -1.14 0.00 0.00 176.83 178.25 1sgg h ILE 66 N 0.09 0.28 0.00 3.27 1.08 -0.21 1.04 117.51 123.05 1sgg h ILE 66 Ca -0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1sgg h ILE 66 Cb 1.78 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1sgg h ILE 66 CO 0.21 0.00 -0.15 1.56 -0.69 0.00 0.00 178.15 179.08 1sgg h GLN 67 N 0.00 0.00 -0.18 2.37 4.20 -1.68 -3.26 115.11 116.56 1sgg h GLN 67 Ca 0.26 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.03 1sgg h GLN 67 Cb 1.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1sgg h GLN 67 CO -0.00 0.00 0.29 -0.24 -0.67 0.00 0.00 178.83 178.21 1sgg h VAL 68 N 0.00 0.27 0.00 -0.54 3.04 0.10 -1.35 116.25 117.78 1sgg h VAL 68 Ca 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1sgg h VAL 68 Cb 0.97 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1sgg h VAL 68 CO 0.00 0.00 -0.88 0.23 -1.01 0.00 0.00 177.57 175.91 1sgg n MET 69 N -3.46 0.51 0.22 4.17 2.81 -1.23 -4.06 117.12 116.07 1sgg n MET 69 Ca 0.02 0.55 0.18 0.00 -1.81 0.00 0.00 57.70 56.64 1sgg n MET 69 Cb 0.41 -1.72 0.78 0.00 -0.71 0.00 0.00 33.22 31.98 1sgg n MET 69 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1sgg h ARG 70 N -1.00 0.00 0.28 0.03 2.43 -1.62 -0.16 114.38 114.34 1sgg h ARG 70 Ca -0.17 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1sgg h ARG 70 Cb 0.89 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1sgg h ARG 70 CO -0.10 0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.11 1sgg h ALA 71 N 1.42 -0.53 0.00 2.80 0.00 -1.40 -3.12 119.26 118.44 1sgg h ALA 71 Ca 0.09 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1sgg h ALA 71 Cb 0.86 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1sgg h ALA 71 CO -0.00 -0.82 -1.20 0.00 0.00 0.00 0.00 179.25 177.23 1sgg n GLN 72 N -5.37 0.61 0.00 0.00 10.64 -0.75 -5.14 117.38 117.37 1sgg n GLN 72 Ca -0.09 0.17 0.14 0.00 -1.83 0.00 0.00 57.00 55.39 1sgg n GLN 72 Cb 0.28 -1.82 0.86 0.00 -0.86 0.00 0.00 30.24 28.70 1sgg n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90