#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 2.89 0.01 -3.48 -2.24 -1.26 -3.96 114.28 106.24 1sgg n THR 8 Ca 0.00 -1.89 0.03 0.00 -2.27 0.00 0.00 64.05 59.92 1sgg n THR 8 Cb 0.00 -1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 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 0.37 3.68 -4.75 3.42 2.88 -1.26 -5.02 113.62 112.94 1sgg n SER 9 Ca 0.34 -0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.49 1sgg n SER 9 Cb 0.58 1.22 0.04 0.00 -0.75 0.00 0.00 64.21 65.30 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 -2.31 2.34 -0.09 0.66 0.08 -1.25 -4.95 117.98 112.46 1sgg s PHE 10 Ca -0.02 1.51 0.09 0.00 0.12 0.00 0.00 56.93 58.63 1sgg s PHE 10 Cb 0.03 -3.52 -0.24 0.00 -0.57 0.00 0.00 43.02 38.72 1sgg s PHE 10 CO 0.21 -2.34 0.48 0.09 -0.10 0.00 0.00 175.22 173.56 1sgg n ASN 11 N -1.62 1.02 -3.29 1.36 4.13 -1.26 -5.01 115.26 110.60 1sgg n ASN 11 Ca 0.14 0.29 -0.08 0.00 1.68 0.00 0.00 54.58 56.61 1sgg n ASN 11 Cb 0.49 -0.07 0.01 0.00 -1.54 0.00 0.00 39.78 38.67 1sgg n ASN 11 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1sgg s THR 12 N -2.57 0.00 0.58 3.41 -4.23 -1.26 -4.99 115.64 106.59 1sgg s THR 12 Ca -0.10 -0.96 0.29 0.00 -1.18 0.00 0.00 61.69 59.74 1sgg s THR 12 Cb 0.07 -2.56 0.39 0.00 1.34 0.00 0.00 72.50 71.74 1sgg s THR 12 CO 0.81 0.00 1.87 0.58 -0.54 0.00 0.00 174.62 177.34 1sgg h VAL 13 N 2.00 0.37 -0.74 2.29 2.07 -1.89 0.31 116.25 120.65 1sgg h VAL 13 Ca -0.27 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1sgg h VAL 13 Cb 1.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1sgg h VAL 13 CO 0.34 0.00 0.23 -0.78 0.02 0.00 0.00 177.57 177.38 1sgg h ASP 14 N 0.00 1.07 1.17 0.57 1.82 -1.94 0.27 116.42 119.37 1sgg h ASP 14 Ca 0.25 -0.20 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1sgg h ASP 14 Cb 1.31 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 1sgg h ASP 14 CO -0.00 0.99 -0.57 -0.33 -1.61 0.00 0.00 179.24 177.72 1sgg h GLU 15 N 1.10 0.00 0.00 0.28 4.39 -0.80 -2.54 114.58 117.01 1sgg h GLU 15 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1sgg h GLU 15 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1sgg h GLU 15 CO -0.01 0.57 -0.00 2.35 -1.16 0.00 0.00 179.01 180.76 1sgg h TRP 16 N 0.00 -0.00 0.00 4.33 7.01 -0.92 -3.27 115.95 123.10 1sgg h TRP 16 Ca -0.01 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1sgg h TRP 16 Cb 1.31 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.37 1sgg h TRP 16 CO 0.00 0.50 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.05 1sgg h LEU 17 N -1.00 0.00 -1.00 0.65 3.38 -0.60 -1.57 115.31 115.17 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 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sgg h LEU 17 CO 0.00 0.03 -0.14 -0.78 0.09 0.00 0.00 178.44 177.64 1sgg h ASP 18 N 0.00 0.55 0.24 -0.43 1.82 -1.52 -1.39 116.42 115.69 1sgg h ASP 18 Ca -0.00 -0.15 -0.09 0.00 -0.39 0.00 0.00 57.03 56.40 1sgg h ASP 18 Cb 0.10 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1sgg h ASP 18 CO 0.00 0.71 -0.36 0.00 -1.61 0.00 0.00 179.24 177.99 1sgg h ALA 19 N 1.34 1.24 -0.52 -0.78 0.00 -1.33 -2.57 119.26 116.64 1sgg h ALA 19 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sgg h ALA 19 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sgg h ALA 19 CO 0.03 0.52 0.00 0.44 0.00 0.00 0.00 179.25 180.25 1sgg n ILE 20 N -4.08 2.47 -3.16 0.00 -5.35 -0.96 -4.97 119.36 103.32 1sgg n ILE 20 Ca -0.01 -1.26 -0.15 0.00 -0.27 0.00 0.00 62.75 61.05 1sgg n ILE 20 Cb 0.43 -0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.59 -1.95 -2.06 6.28 4.81 -0.91 -4.95 118.16 119.97 1sgg n LYS 21 Ca 0.25 1.67 -0.11 0.00 -0.87 0.00 0.00 58.31 59.25 1sgg n LYS 21 Cb 1.10 -4.48 0.05 0.00 0.02 0.00 0.00 35.03 31.73 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 -0.87 2.51 0.01 1.64 2.81 -0.57 -4.84 117.12 117.79 1sgg n MET 22 Ca -0.01 -3.69 0.23 0.00 -1.81 0.00 0.00 57.70 52.42 1sgg n MET 22 Cb 0.55 -1.82 0.67 0.00 -0.71 0.00 0.00 33.22 31.91 1sgg n MET 22 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1sgg h SER 23 N 2.08 0.00 -0.67 7.83 0.02 -1.92 0.59 113.55 121.47 1sgg h SER 23 Ca 0.12 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.81 1sgg h SER 23 Cb 1.42 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.80 1sgg h SER 23 CO 0.44 0.00 0.34 0.00 -1.14 0.00 0.00 176.83 176.46 1sgg n GLN 24 N -3.57 2.70 -0.66 3.45 6.02 -1.26 -4.04 117.38 120.02 1sgg n GLN 24 Ca 0.12 -2.39 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 1sgg n GLN 24 Cb 0.87 -1.99 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -0.34 0.00 0.00 1.08 4.02 0.20 -4.83 117.16 117.29 1sgg n TYR 25 Ca 0.38 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 1sgg n TYR 25 Cb 1.27 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.57 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 0.08 0.00 0.18 -0.72 4.01 -1.24 -3.09 118.16 117.38 1sgg n LYS 26 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.85 1sgg n LYS 26 Cb 0.75 -0.81 0.29 0.00 -0.51 0.00 0.00 35.03 34.75 1sgg n LYS 26 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1sgg h GLU 27 N 0.00 0.00 -0.71 1.97 4.57 -1.93 -3.17 114.58 115.30 1sgg h GLU 27 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1sgg h GLU 27 Cb 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 1sgg h GLU 27 CO 0.00 0.42 0.32 1.03 -1.18 0.00 0.00 179.01 179.59 1sgg h SER 28 N 0.00 0.36 0.58 1.04 0.87 -1.89 0.54 113.55 115.05 1sgg h SER 28 Ca -0.00 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1sgg h SER 28 Cb 0.96 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1sgg h SER 28 CO 0.05 0.18 -0.38 -0.26 -0.53 0.00 0.00 176.83 175.90 1sgg h PHE 29 N 0.51 0.00 0.00 2.24 -1.00 -1.51 -2.59 116.94 114.59 1sgg h PHE 29 Ca 0.37 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.14 1sgg h PHE 29 Cb 0.47 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 1sgg h PHE 29 CO -0.14 0.38 -0.03 0.00 -1.61 0.00 0.00 178.31 176.90 1sgg h ALA 30 N 1.62 1.05 0.02 2.45 0.00 -0.96 0.12 119.26 123.56 1sgg h ALA 30 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sgg h ALA 30 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sgg h ALA 30 CO 0.05 0.04 -0.01 1.03 0.00 0.00 0.00 179.25 180.36 1sgg h SER 31 N 0.00 -0.02 0.29 0.00 0.87 -1.20 -3.21 113.55 110.29 1sgg h SER 31 Ca -0.00 -0.70 -0.01 0.00 -1.23 0.00 0.00 61.79 59.84 1sgg h SER 31 Cb 0.34 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1sgg h SER 31 CO 0.00 0.72 -0.05 0.00 -0.53 0.00 0.00 176.83 176.97 1sgg h ALA 32 N 0.15 1.21 0.00 6.23 0.00 -1.61 -3.45 119.26 121.79 1sgg h ALA 32 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sgg h ALA 32 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sgg h ALA 32 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1sgg n GLY 33 N -0.81 1.76 2.64 0.00 0.00 -1.05 -5.03 105.19 102.70 1sgg n GLY 33 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 2.53 -0.07 1.61 3.72 0.38 -4.31 117.46 120.84 1sgg n PHE 34 Ca 0.00 -2.43 -0.05 0.00 -0.05 0.00 0.00 57.45 54.92 1sgg n PHE 34 Cb 0.00 -1.39 -0.02 0.00 -0.94 0.00 0.00 39.48 37.13 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 0.45 1.23 -1.52 4.37 -2.24 -1.26 -4.40 114.28 110.92 1sgg n THR 35 Ca 0.53 0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 62.35 1sgg n THR 35 Cb 0.31 -2.25 0.14 0.00 -2.10 0.00 0.00 70.33 66.43 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 -4.24 0.00 -1.09 4.28 -2.24 -1.26 -3.96 114.28 105.76 1sgg n THR 36 Ca -0.08 -0.62 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 1sgg n THR 36 Cb 0.29 -1.59 0.03 0.00 -2.10 0.00 0.00 70.33 66.96 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 -3.38 1.92 0.00 4.78 3.01 -1.26 -4.39 117.46 118.14 1sgg n PHE 37 Ca 0.11 -2.19 0.00 0.00 1.01 0.00 0.00 57.45 56.39 1sgg n PHE 37 Cb 0.39 -1.12 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1sgg n PHE 37 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1sgg n ASP 38 N 0.15 0.00 -0.40 4.37 9.92 -1.26 -4.83 116.55 124.50 1sgg n ASP 38 Ca 0.40 0.00 0.39 0.00 -0.53 0.00 0.00 54.79 55.05 1sgg n ASP 38 Cb 0.58 0.00 0.69 0.00 -0.64 0.00 0.00 41.12 41.75 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 0.14 0.00 0.53 2.04 -1.80 0.99 117.51 119.40 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 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 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 -0.74 1.67 2.07 -1.77 -2.81 116.25 114.68 1sgg h VAL 40 Ca 0.65 -0.13 -0.41 0.00 0.82 0.00 0.00 66.70 67.63 1sgg h VAL 40 Cb 2.92 0.90 -0.16 0.00 -1.52 0.00 0.00 31.29 33.42 1sgg h VAL 40 CO -0.01 0.00 0.43 -1.54 0.02 0.00 0.00 177.57 176.48 1sgg n SER 41 N -2.64 6.54 -2.74 0.57 3.41 0.34 -4.48 113.62 114.63 1sgg n SER 41 Ca -0.01 -3.16 -0.06 0.00 -0.26 0.00 0.00 58.87 55.38 1sgg n SER 41 Cb 0.13 -1.12 0.04 0.00 -0.26 0.00 0.00 64.21 62.99 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 0.49 0.55 0.00 4.33 6.02 -1.06 -4.83 117.38 122.88 1sgg n GLN 42 Ca 0.40 -1.62 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1sgg n GLN 42 Cb 0.57 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1sgg n GLN 42 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1sgg n MET 43 N 2.16 0.54 0.00 -1.09 2.81 -1.26 -5.08 117.12 115.20 1sgg n MET 43 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1sgg n MET 43 Cb 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.13 1sgg n MET 43 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1sgg n THR 44 N 0.00 0.00 0.11 2.03 5.66 -1.26 -4.96 114.28 115.86 1sgg n THR 44 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1sgg n THR 44 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1sgg n THR 44 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1sgg h VAL 45 N 0.00 1.20 0.07 1.08 3.04 -2.01 -3.26 116.25 116.37 1sgg h VAL 45 Ca 0.00 -2.65 -0.14 0.00 -1.01 0.00 0.00 66.70 62.90 1sgg h VAL 45 Cb 0.00 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1sgg h VAL 45 CO 0.00 0.68 -0.67 -0.08 -1.01 0.00 0.00 177.57 176.49 1sgg h GLU 46 N 0.00 0.15 -0.84 4.17 4.81 -1.99 -3.18 114.58 117.70 1sgg h GLU 46 Ca -0.01 -0.26 0.20 0.00 -0.13 0.00 0.00 59.36 59.17 1sgg h GLU 46 Cb 1.51 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.93 1sgg h GLU 46 CO 0.09 1.12 0.57 -0.44 -0.73 0.00 0.00 179.01 179.62 1sgg h ASP 47 N -0.65 0.28 0.02 1.04 3.32 -1.94 0.86 116.42 119.35 1sgg h ASP 47 Ca -0.14 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1sgg h ASP 47 Cb 1.40 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1sgg h ASP 47 CO 0.04 0.12 -0.01 0.40 -1.72 0.00 0.00 179.24 178.07 1sgg h ILE 48 N 0.29 1.40 0.00 0.35 2.04 -1.65 -2.11 117.51 117.83 1sgg h ILE 48 Ca 0.42 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1sgg h ILE 48 Cb 1.21 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1sgg h ILE 48 CO -0.12 0.35 -0.01 0.25 0.00 0.00 0.00 178.15 178.62 1sgg h LEU 49 N -0.63 0.00 0.03 1.44 5.85 -1.29 -1.15 115.31 119.56 1sgg h LEU 49 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1sgg h LEU 49 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1sgg h LEU 49 CO 0.00 0.01 -0.17 0.03 -0.34 0.00 0.00 178.44 177.98 1sgg h ARG 50 N 0.00 0.06 -0.02 1.25 3.08 -0.78 -3.25 114.38 114.72 1sgg h ARG 50 Ca -0.00 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1sgg h ARG 50 Cb 0.29 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1sgg h ARG 50 CO 0.00 1.05 0.18 0.28 -1.07 0.00 0.00 179.97 180.41 1sgg h VAL 51 N -0.88 0.04 0.00 2.04 2.07 -1.23 -3.44 116.25 114.86 1sgg h VAL 51 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1sgg h VAL 51 Cb 1.13 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1sgg h VAL 51 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1sgg n GLY 52 N -1.18 1.83 2.12 2.17 0.00 -1.17 -4.77 105.19 104.19 1sgg n GLY 52 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.40 3.04 0.27 1.61 0.31 -0.45 -4.56 118.33 118.15 1sgg n VAL 53 Ca 0.00 -2.21 0.18 0.00 -0.01 0.00 0.00 64.34 62.30 1sgg n VAL 53 Cb 0.00 -1.38 0.94 0.00 -0.91 0.00 0.00 33.84 32.49 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 1.27 0.31 -2.21 2.52 2.02 -1.82 -3.39 112.91 111.61 1sgg h THR 54 Ca 0.36 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.97 1sgg h THR 54 Cb 0.83 0.88 0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1sgg h THR 54 CO 0.91 0.00 1.13 -0.11 0.37 0.00 0.00 175.52 177.82 1sgg n LEU 55 N -3.52 3.75 -4.64 2.58 0.00 -1.26 -4.93 117.00 108.98 1sgg n LEU 55 Ca -0.01 0.96 -0.30 0.00 0.00 0.00 0.00 56.01 56.66 1sgg n LEU 55 Cb 0.23 -1.45 0.18 0.00 0.00 0.00 0.00 43.42 42.38 1sgg n LEU 55 CO 0.24 0.05 0.64 0.00 0.00 0.00 0.00 177.39 178.32 1sgg s ALA 56 N 3.85 1.11 0.00 1.96 0.00 -1.26 -2.58 121.76 124.83 1sgg s ALA 56 Ca 0.89 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1sgg s ALA 56 Cb -0.58 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1sgg s ALA 56 CO 0.46 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.75 1sgg n GLY 57 N 0.09 0.95 0.37 0.00 0.00 -1.26 -4.30 105.19 101.04 1sgg n GLY 57 Ca 0.09 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.77 -0.70 1.61 -0.00 -1.92 0.62 115.15 115.54 1sgg h HIS 58 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1sgg h HIS 58 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 1sgg h HIS 58 CO 0.00 0.28 0.18 -0.56 -0.00 0.00 0.00 177.93 177.82 1sgg h GLN 59 N 0.65 1.11 0.00 2.45 3.07 -1.68 -2.54 115.11 118.17 1sgg h GLN 59 Ca 0.44 -0.26 -0.08 0.00 0.09 0.00 0.00 58.65 58.84 1sgg h GLN 59 Cb 0.77 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 1sgg h GLN 59 CO -0.20 0.98 -0.45 0.87 0.09 0.00 0.00 178.83 180.12 1sgg h LYS 60 N 1.05 0.00 0.45 0.06 1.57 -1.26 -3.19 116.57 115.25 1sgg h LYS 60 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1sgg h LYS 60 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1sgg h LYS 60 CO 0.00 0.34 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.79 1sgg h LYS 61 N 0.00 -0.58 0.00 3.15 3.11 0.56 -2.51 116.57 120.29 1sgg h LYS 61 Ca -0.01 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1sgg h LYS 61 Cb 1.29 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1sgg h LYS 61 CO 0.05 -0.33 -0.10 0.82 -2.81 0.00 0.00 179.45 177.07 1sgg h ILE 62 N -0.71 0.47 -0.61 2.00 2.04 -1.61 -2.77 117.51 116.32 1sgg h ILE 62 Ca -0.06 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1sgg h ILE 62 Cb 0.52 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1sgg h ILE 62 CO 0.10 0.10 0.22 -0.07 0.00 0.00 0.00 178.15 178.50 1sgg h LEU 63 N 0.00 0.21 -0.22 1.44 3.38 -1.43 0.66 115.31 119.35 1sgg h LEU 63 Ca -0.00 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1sgg h LEU 63 Cb 0.33 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1sgg h LEU 63 CO 0.01 0.12 -0.82 -1.13 0.09 0.00 0.00 178.44 176.72 1sgg h ASN 64 N 0.40 0.00 -0.21 -0.43 -0.73 -1.48 -3.27 115.58 109.85 1sgg h ASN 64 Ca 0.31 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.29 1sgg h ASN 64 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1sgg h ASN 64 CO -0.31 0.82 -0.59 0.28 -0.37 0.00 0.00 177.43 177.26 1sgg h SER 65 N 0.00 0.88 -0.34 1.15 0.02 -1.04 -2.95 113.55 111.27 1sgg h SER 65 Ca -0.01 -0.58 0.10 0.00 -0.84 0.00 0.00 61.79 60.46 1sgg h SER 65 Cb 1.52 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1sgg h SER 65 CO 0.11 1.30 0.49 0.40 -1.14 0.00 0.00 176.83 177.99 1sgg h ILE 66 N 0.50 0.24 0.00 3.27 2.04 0.21 0.51 117.51 124.28 1sgg h ILE 66 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1sgg h ILE 66 Cb 1.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1sgg h ILE 66 CO 0.13 0.00 -0.23 1.56 0.00 0.00 0.00 178.15 179.61 1sgg h GLN 67 N 0.00 0.00 -0.03 2.37 4.20 -1.64 -2.62 115.11 117.39 1sgg h GLN 67 Ca 0.16 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1sgg h GLN 67 Cb 1.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1sgg h GLN 67 CO -0.00 0.23 0.15 -0.39 -0.67 0.00 0.00 178.83 178.15 1sgg h VAL 68 N 0.00 0.08 0.03 -0.54 -1.51 -0.12 -0.78 116.25 113.42 1sgg h VAL 68 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1sgg h VAL 68 Cb 0.61 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1sgg h VAL 68 CO 0.03 0.00 -0.02 0.24 -1.23 0.00 0.00 177.57 176.59 1sgg h MET 69 N 0.00 -0.04 0.00 5.19 2.86 -1.63 -3.29 114.93 118.02 1sgg h MET 69 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sgg h MET 69 Cb 0.32 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1sgg h MET 69 CO -0.00 0.41 -0.01 -0.09 1.06 0.00 0.00 176.91 178.28 1sgg h ARG 70 N -0.98 0.00 -0.08 1.72 2.43 -1.58 -2.29 114.38 113.59 1sgg h ARG 70 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1sgg h ARG 70 Cb 0.48 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1sgg h ARG 70 CO 0.01 0.01 -0.27 0.00 -1.51 0.00 0.00 179.97 178.21 1sgg h ALA 71 N 1.99 -0.30 0.00 2.80 0.00 -1.22 -2.66 119.26 119.87 1sgg h ALA 71 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sgg h ALA 71 Cb 0.21 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sgg h ALA 71 CO 0.00 -0.75 -0.94 0.00 0.00 0.00 0.00 179.25 177.56 1sgg n GLN 72 N -5.38 0.52 0.00 0.00 10.64 -1.14 -5.13 117.38 116.89 1sgg n GLN 72 Ca -0.04 0.10 0.15 0.00 -1.83 0.00 0.00 57.00 55.39 1sgg n GLN 72 Cb 0.30 -1.78 0.73 0.00 -0.86 0.00 0.00 30.24 28.62 1sgg n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90