#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 2.79 0.03 -3.48 -2.24 -1.26 -3.90 114.28 106.22 1sgg n THR 8 Ca 0.00 -1.74 0.01 0.00 -2.27 0.00 0.00 64.05 60.05 1sgg n THR 8 Cb 0.00 -1.46 -0.01 0.00 -2.10 0.00 0.00 70.33 66.75 1sgg n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sgg n SER 9 N 0.79 3.02 -4.77 3.42 3.41 -1.26 -5.03 113.62 113.19 1sgg n SER 9 Ca 0.30 -0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.37 1sgg n SER 9 Cb 0.59 1.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.60 1sgg n SER 9 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1sgg s PHE 10 N -1.81 2.63 -0.10 7.33 0.08 -1.25 -4.95 117.98 119.91 1sgg s PHE 10 Ca -0.00 1.54 0.10 0.00 0.12 0.00 0.00 56.93 58.68 1sgg s PHE 10 Cb 0.01 -3.33 -0.24 0.00 -0.57 0.00 0.00 43.02 38.90 1sgg s PHE 10 CO 0.08 -1.68 0.44 0.09 -0.10 0.00 0.00 175.22 174.05 1sgg n ASN 11 N -1.31 0.98 -3.21 1.36 5.03 -1.26 -5.00 115.26 111.84 1sgg n ASN 11 Ca 0.12 0.27 -0.07 0.00 0.87 0.00 0.00 54.58 55.76 1sgg n ASN 11 Cb 0.51 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 39.27 1sgg n ASN 11 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1sgg s THR 12 N -2.57 0.00 0.60 3.41 -4.23 -1.26 -4.95 115.64 106.65 1sgg s THR 12 Ca -0.11 -0.90 0.28 0.00 -1.18 0.00 0.00 61.69 59.79 1sgg s THR 12 Cb 0.07 -2.69 0.37 0.00 1.34 0.00 0.00 72.50 71.60 1sgg s THR 12 CO 0.80 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 177.31 1sgg h VAL 13 N 2.00 0.29 -0.42 2.29 2.07 -1.75 0.17 116.25 120.90 1sgg h VAL 13 Ca -0.29 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1sgg h VAL 13 Cb 1.24 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1sgg h VAL 13 CO 0.36 0.00 0.06 -0.78 0.02 0.00 0.00 177.57 177.23 1sgg h ASP 14 N 0.00 0.67 1.34 0.57 1.82 -1.93 0.25 116.42 119.14 1sgg h ASP 14 Ca 0.21 -0.26 -0.07 0.00 -0.39 0.00 0.00 57.03 56.51 1sgg h ASP 14 Cb 1.25 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1sgg h ASP 14 CO -0.00 0.76 -0.33 -0.33 -1.61 0.00 0.00 179.24 177.74 1sgg h GLU 15 N 0.54 0.00 0.00 0.28 4.39 -1.09 -2.78 114.58 115.93 1sgg h GLU 15 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1sgg h GLU 15 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1sgg h GLU 15 CO 0.01 0.33 -0.02 2.35 -1.16 0.00 0.00 179.01 180.51 1sgg h TRP 16 N 0.00 0.00 -0.01 4.33 7.01 -1.02 -3.28 115.95 122.98 1sgg h TRP 16 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 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 0.51 0.02 -0.07 -2.79 0.00 0.00 178.44 176.11 1sgg h LEU 17 N -1.00 0.00 -0.76 0.65 3.38 -0.62 -1.59 115.31 115.38 1sgg h LEU 17 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1sgg h LEU 17 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1sgg h LEU 17 CO -0.00 0.00 0.10 -0.78 0.09 0.00 0.00 178.44 177.84 1sgg h ASP 18 N 0.00 1.00 0.59 -0.43 3.58 -1.55 -1.90 116.42 117.71 1sgg h ASP 18 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1sgg h ASP 18 Cb 0.04 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1sgg h ASP 18 CO -0.00 1.00 0.00 0.00 -2.88 0.00 0.00 179.24 177.36 1sgg h ALA 19 N 1.12 1.00 -0.49 -0.78 0.00 -1.36 -2.74 119.26 116.00 1sgg h ALA 19 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.80 1sgg h ALA 19 Cb 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.03 1sgg h ALA 19 CO 0.01 0.00 -0.12 0.44 0.00 0.00 0.00 179.25 179.58 1sgg n ILE 20 N -2.30 2.67 -3.54 0.00 -5.35 -0.78 -4.98 119.36 105.08 1sgg n ILE 20 Ca 0.01 -3.06 -0.19 0.00 -0.27 0.00 0.00 62.75 59.24 1sgg n ILE 20 Cb 0.19 -0.56 0.01 0.00 -1.74 0.00 0.00 39.64 37.55 1sgg n ILE 20 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1sgg n LYS 21 N -1.03 -1.36 -2.73 6.28 4.81 -1.03 -4.93 118.16 118.17 1sgg n LYS 21 Ca 0.39 0.91 -0.01 0.00 -0.87 0.00 0.00 58.31 58.72 1sgg n LYS 21 Cb 0.99 -3.87 0.05 0.00 0.02 0.00 0.00 35.03 32.22 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1sgg n MET 22 N -2.79 1.71 0.19 1.64 2.81 -0.79 -4.89 117.12 114.99 1sgg n MET 22 Ca -0.16 -3.45 0.18 0.00 -1.81 0.00 0.00 57.70 52.46 1sgg n MET 22 Cb 0.60 -1.55 0.76 0.00 -0.71 0.00 0.00 33.22 32.32 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 2.50 0.00 -0.87 7.83 0.87 -1.90 0.14 113.55 122.12 1sgg h SER 23 Ca -0.13 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.89 1sgg h SER 23 Cb 1.31 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.99 1sgg h SER 23 CO 0.20 0.00 0.46 0.00 -0.53 0.00 0.00 176.83 176.95 1sgg n GLN 24 N -3.36 2.57 -0.21 2.24 10.64 -1.26 -4.39 117.38 123.61 1sgg n GLN 24 Ca 0.04 -3.32 0.08 0.00 -1.83 0.00 0.00 57.00 51.96 1sgg n GLN 24 Cb 0.54 -2.19 0.11 0.00 -0.86 0.00 0.00 30.24 27.84 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1sgg n TYR 25 N -0.98 0.00 0.00 2.61 4.02 0.04 -4.78 117.16 118.07 1sgg n TYR 25 Ca 0.55 -0.80 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1sgg n TYR 25 Cb 1.03 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 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 -1.08 0.00 -0.26 -0.72 4.01 -1.26 -2.58 118.16 116.27 1sgg n LYS 26 Ca 0.12 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 58.11 1sgg n LYS 26 Cb 0.66 -0.65 0.48 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.45 0.11 1.97 4.39 -1.95 -0.94 114.58 118.61 1sgg h GLU 27 Ca 0.00 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1sgg h GLU 27 Cb 0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1sgg h GLU 27 CO 0.00 0.30 -0.29 1.03 -1.16 0.00 0.00 179.01 178.89 1sgg h SER 28 N 0.46 -0.84 0.99 1.42 0.87 -1.84 -0.98 113.55 113.64 1sgg h SER 28 Ca 0.49 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.13 1sgg h SER 28 Cb 1.13 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1sgg h SER 28 CO -0.21 -0.38 -0.08 -0.26 -0.53 0.00 0.00 176.83 175.37 1sgg h PHE 29 N -0.50 0.00 0.00 2.24 -1.00 -1.04 -2.63 116.94 114.01 1sgg h PHE 29 Ca 0.03 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 1sgg h PHE 29 Cb 0.54 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1sgg h PHE 29 CO -0.27 0.08 -0.13 0.00 -1.61 0.00 0.00 178.31 176.38 1sgg h ALA 30 N 1.92 1.00 0.02 2.45 0.00 0.07 0.87 119.26 125.59 1sgg h ALA 30 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1sgg h ALA 30 Cb 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sgg h ALA 30 CO 0.01 0.17 -0.28 1.03 0.00 0.00 0.00 179.25 180.17 1sgg h SER 31 N 0.00 0.21 0.64 0.00 0.87 -0.92 -3.27 113.55 111.09 1sgg h SER 31 Ca -0.00 -0.85 -0.05 0.00 -1.23 0.00 0.00 61.79 59.66 1sgg h SER 31 Cb 0.71 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1sgg h SER 31 CO 0.02 1.04 -0.25 0.00 -0.53 0.00 0.00 176.83 177.11 1sgg h ALA 32 N 0.18 1.15 0.00 6.23 0.00 -1.61 -3.46 119.26 121.75 1sgg h ALA 32 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sgg h ALA 32 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1sgg h ALA 32 CO 0.05 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1sgg n GLY 33 N -0.19 1.73 2.57 0.00 0.00 -0.92 -5.03 105.19 103.34 1sgg n GLY 33 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.34 2.64 -0.09 1.61 3.72 0.30 -4.30 117.46 120.99 1sgg n PHE 34 Ca 0.00 -2.64 -0.11 0.00 -0.05 0.00 0.00 57.45 54.65 1sgg n PHE 34 Cb 0.00 -1.51 -0.04 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 0.82 1.49 -1.57 4.37 -2.24 -1.26 -4.39 114.28 111.50 1sgg n THR 35 Ca 0.55 0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 62.24 1sgg n THR 35 Cb 0.27 -2.31 0.13 0.00 -2.10 0.00 0.00 70.33 66.32 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 -4.46 0.00 -1.11 4.28 -2.24 -1.26 -2.54 114.28 106.94 1sgg n THR 36 Ca -0.17 -0.62 -0.23 0.00 -2.27 0.00 0.00 64.05 60.76 1sgg n THR 36 Cb 0.52 -1.68 0.04 0.00 -2.10 0.00 0.00 70.33 67.11 1sgg n THR 36 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sgg n PHE 37 N -3.18 2.04 0.00 4.78 3.72 -1.26 -4.39 117.46 119.17 1sgg n PHE 37 Ca 0.11 -2.26 0.00 0.00 -0.05 0.00 0.00 57.45 55.25 1sgg n PHE 37 Cb 0.37 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 1sgg n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1sgg n ASP 38 N 0.05 0.00 -0.41 4.37 8.00 -1.26 -4.83 116.55 122.47 1sgg n ASP 38 Ca 0.42 0.00 0.39 0.00 0.71 0.00 0.00 54.79 56.31 1sgg n ASP 38 Cb 0.58 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.39 1sgg n ASP 38 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1sgg h ILE 39 N 0.00 0.15 0.00 0.53 2.04 -1.80 1.00 117.51 119.43 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 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1sgg h ILE 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 178.15 178.73 1sgg h VAL 40 N 0.00 0.00 -0.88 1.67 2.07 -1.77 -2.80 116.25 114.55 1sgg h VAL 40 Ca 0.66 -0.14 -0.48 0.00 0.82 0.00 0.00 66.70 67.55 1sgg h VAL 40 Cb 2.91 0.88 -0.19 0.00 -1.52 0.00 0.00 31.29 33.36 1sgg h VAL 40 CO -0.01 0.00 0.56 -1.54 0.02 0.00 0.00 177.57 176.61 1sgg n SER 41 N -2.55 6.82 -0.93 0.57 3.41 0.35 -4.01 113.62 117.27 1sgg n SER 41 Ca -0.00 -3.32 -0.05 0.00 -0.26 0.00 0.00 58.87 55.23 1sgg n SER 41 Cb 0.14 -1.09 -0.05 0.00 -0.26 0.00 0.00 64.21 62.94 1sgg n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgg n GLN 42 N 0.15 0.00 -4.88 4.33 1.13 -1.06 -4.76 117.38 112.29 1sgg n GLN 42 Ca 0.44 -0.87 -0.25 0.00 -1.94 0.00 0.00 57.00 54.37 1sgg n GLN 42 Cb 0.56 0.38 -0.15 0.00 0.11 0.00 0.00 30.24 31.13 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sgg s MET 43 N 0.00 1.49 0.00 -1.09 0.23 -1.26 -5.10 119.30 113.57 1sgg s MET 43 Ca 0.02 -0.67 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1sgg s MET 43 Cb 0.02 -1.44 0.00 0.00 -1.53 0.00 0.00 34.83 31.88 1sgg s MET 43 CO -0.01 0.40 0.00 0.25 -2.03 0.00 0.00 175.02 173.63 1sgg n THR 44 N 2.60 0.00 0.18 3.16 -2.24 -1.26 -4.95 114.28 111.78 1sgg n THR 44 Ca -0.15 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1sgg n THR 44 Cb 0.54 -0.52 0.32 0.00 -2.10 0.00 0.00 70.33 68.57 1sgg n THR 44 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1sgg h VAL 45 N 0.00 0.94 -0.05 2.28 3.04 -1.98 -3.20 116.25 117.27 1sgg h VAL 45 Ca 0.00 -1.57 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1sgg h VAL 45 Cb 0.00 1.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1sgg h VAL 45 CO 0.00 0.39 0.01 -0.08 -1.01 0.00 0.00 177.57 176.88 1sgg h GLU 46 N 0.00 0.09 -1.00 4.17 4.57 -1.99 -2.79 114.58 117.63 1sgg h GLU 46 Ca -0.00 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.30 1sgg h GLU 46 Cb 0.91 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.40 1sgg h GLU 46 CO 0.05 0.30 0.62 -0.44 -1.18 0.00 0.00 179.01 178.36 1sgg h ASP 47 N -0.14 0.86 -0.90 1.04 3.32 -1.92 -0.07 116.42 118.61 1sgg h ASP 47 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1sgg h ASP 47 Cb 0.25 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1sgg h ASP 47 CO 0.00 0.41 0.48 0.40 -1.72 0.00 0.00 179.24 178.81 1sgg h ILE 48 N 0.89 1.26 0.00 0.35 2.04 -1.55 0.36 117.51 120.86 1sgg h ILE 48 Ca 0.52 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1sgg h ILE 48 Cb 0.65 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1sgg h ILE 48 CO -0.30 0.30 -0.34 -0.07 0.00 0.00 0.00 178.15 177.74 1sgg h LEU 49 N 1.26 0.00 0.14 1.44 -0.00 -0.78 -2.14 115.31 115.22 1sgg h LEU 49 Ca 0.31 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.88 1sgg h LEU 49 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1sgg h LEU 49 CO -0.05 0.34 -1.59 0.03 -0.00 0.00 0.00 178.44 177.16 1sgg h ARG 50 N 0.00 0.29 -0.24 1.13 3.08 -0.50 -3.32 114.38 114.82 1sgg h ARG 50 Ca -0.00 -0.49 0.07 0.00 0.07 0.00 0.00 59.98 59.62 1sgg h ARG 50 Cb 0.72 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1sgg h ARG 50 CO 0.04 1.24 0.43 0.28 -1.07 0.00 0.00 179.97 180.89 1sgg h VAL 51 N -0.14 0.20 0.00 2.04 2.07 -0.30 -3.44 116.25 116.68 1sgg h VAL 51 Ca -0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1sgg h VAL 51 Cb 1.89 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1sgg h VAL 51 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1sgg n GLY 52 N -1.38 1.34 2.74 2.17 0.00 -1.21 -4.68 105.19 104.17 1sgg n GLY 52 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.19 0.27 1.61 0.31 -0.81 -4.48 118.33 117.42 1sgg n VAL 53 Ca 0.00 -1.43 0.15 0.00 -0.01 0.00 0.00 64.34 63.06 1sgg n VAL 53 Cb 0.00 -2.15 0.52 0.00 -0.91 0.00 0.00 33.84 31.30 1sgg n VAL 53 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1sgg h THR 54 N 3.71 0.00 -2.13 2.52 2.02 -1.84 -3.41 112.91 113.77 1sgg h THR 54 Ca 0.46 -0.64 -0.61 0.00 0.77 0.00 0.00 66.41 66.39 1sgg h THR 54 Cb 0.27 1.63 0.06 0.00 -1.74 0.00 0.00 68.15 68.37 1sgg h THR 54 CO 1.55 0.00 0.73 -0.11 0.37 0.00 0.00 175.52 178.06 1sgg n LEU 55 N -3.04 2.77 -4.75 2.58 0.00 -1.26 -4.93 117.00 108.37 1sgg n LEU 55 Ca 0.02 1.09 -0.31 0.00 0.00 0.00 0.00 56.01 56.80 1sgg n LEU 55 Cb 0.37 -1.37 0.10 0.00 0.00 0.00 0.00 43.42 42.52 1sgg n LEU 55 CO 0.29 -0.46 0.70 0.00 0.00 0.00 0.00 177.39 177.92 1sgg s ALA 56 N 0.92 2.15 0.00 1.96 0.00 -1.26 -2.84 121.76 122.68 1sgg s ALA 56 Ca 0.81 0.33 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1sgg s ALA 56 Cb -0.74 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1sgg s ALA 56 CO 0.40 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 174.68 1sgg n GLY 57 N -0.97 1.20 0.36 0.00 0.00 -1.26 -4.36 105.19 100.15 1sgg n GLY 57 Ca 0.10 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.39 -0.72 1.61 -0.00 -1.95 0.42 115.15 114.91 1sgg h HIS 58 Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1sgg h HIS 58 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1sgg h HIS 58 CO 0.00 0.18 0.20 -0.56 -0.00 0.00 0.00 177.93 177.74 1sgg h GLN 59 N 0.36 1.14 0.00 2.45 3.07 -1.72 -2.50 115.11 117.91 1sgg h GLN 59 Ca 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 58.65 58.74 1sgg h GLN 59 Cb 0.65 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1sgg h GLN 59 CO -0.08 0.99 -0.46 -0.22 0.09 0.00 0.00 178.83 179.15 1sgg h LYS 60 N 1.08 0.00 -0.08 0.06 3.64 -1.33 -3.29 116.57 116.66 1sgg h LYS 60 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1sgg h LYS 60 Cb 0.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1sgg h LYS 60 CO -0.00 0.09 0.00 -0.22 -2.27 0.00 0.00 179.45 177.05 1sgg h LYS 61 N 0.00 0.15 0.00 1.90 3.11 0.16 -2.73 116.57 119.16 1sgg h LYS 61 Ca -0.01 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 1sgg h LYS 61 Cb 1.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1sgg h LYS 61 CO 0.01 0.40 -0.13 0.82 -2.81 0.00 0.00 179.45 177.74 1sgg h ILE 62 N -0.13 0.73 -0.82 2.00 1.08 -1.58 -2.88 117.51 115.91 1sgg h ILE 62 Ca 0.02 -0.54 0.20 0.00 -0.39 0.00 0.00 64.86 64.15 1sgg h ILE 62 Cb 0.34 1.33 -0.12 0.00 -3.07 0.00 0.00 36.82 35.29 1sgg h ILE 62 CO 0.00 0.13 0.24 0.25 -0.69 0.00 0.00 178.15 178.08 1sgg h LEU 63 N 0.00 0.06 0.00 1.44 7.12 -1.55 0.53 115.31 122.92 1sgg h LEU 63 Ca -0.00 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 1sgg h LEU 63 Cb 0.32 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1sgg h LEU 63 CO 0.02 -0.07 -0.22 -1.13 -0.13 0.00 0.00 178.44 176.91 1sgg h ASN 64 N 0.28 0.00 0.00 1.25 -0.73 -1.62 -3.33 115.58 111.43 1sgg h ASN 64 Ca 0.49 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.61 1sgg h ASN 64 Cb 0.91 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.50 1sgg h ASN 64 CO -0.57 0.09 -0.18 0.28 -0.37 0.00 0.00 177.43 176.68 1sgg h SER 65 N 0.00 0.16 -0.44 1.15 0.02 -0.12 -3.17 113.55 111.14 1sgg h SER 65 Ca -0.00 -0.79 0.13 0.00 -0.84 0.00 0.00 61.79 60.28 1sgg h SER 65 Cb 1.07 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1sgg h SER 65 CO 0.01 0.93 0.57 0.40 -1.14 0.00 0.00 176.83 177.60 1sgg h ILE 66 N -0.60 0.25 0.00 3.27 2.04 -0.68 0.73 117.51 122.52 1sgg h ILE 66 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1sgg h ILE 66 Cb 0.96 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1sgg h ILE 66 CO 0.04 0.00 -0.09 1.56 0.00 0.00 0.00 178.15 179.66 1sgg h GLN 67 N 0.00 0.00 -0.05 2.37 4.20 -1.68 -2.99 115.11 116.96 1sgg h GLN 67 Ca 0.21 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1sgg h GLN 67 Cb 1.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1sgg h GLN 67 CO -0.00 0.09 0.19 -0.39 -0.67 0.00 0.00 178.83 178.05 1sgg h VAL 68 N 0.00 0.12 0.00 -0.54 -1.51 0.36 0.10 116.25 114.78 1sgg h VAL 68 Ca -0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 1sgg h VAL 68 Cb 0.72 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 1sgg h VAL 68 CO 0.01 0.00 -0.89 0.23 -1.23 0.00 0.00 177.57 175.69 1sgg n MET 69 N -3.18 0.51 0.32 5.19 2.81 -1.13 -4.12 117.12 117.52 1sgg n MET 69 Ca -0.01 0.55 0.19 0.00 -1.81 0.00 0.00 57.70 56.62 1sgg n MET 69 Cb 0.27 -1.72 1.08 0.00 -0.71 0.00 0.00 33.22 32.14 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 0.31 0.03 2.43 -1.59 -0.38 114.38 114.19 1sgg h ARG 70 Ca -0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1sgg h ARG 70 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1sgg h ARG 70 CO -0.10 0.00 -0.15 0.00 -1.51 0.00 0.00 179.97 178.21 1sgg h ALA 71 N 2.00 -0.42 0.00 2.80 0.00 -0.95 -3.03 119.26 119.66 1sgg h ALA 71 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sgg h ALA 71 Cb 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sgg h ALA 71 CO 0.00 -0.73 -0.71 -0.56 0.00 0.00 0.00 179.25 177.25 1sgg h GLN 72 N -0.42 0.00 0.00 0.00 3.07 -1.64 -3.52 115.11 112.60 1sgg h GLN 72 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1sgg h GLN 72 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1sgg h GLN 72 CO 0.07 0.03 0.00 -1.33 0.09 0.00 0.00 178.83 177.69