#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b79 s PRO 27 N 0.00 2.80 0.00 0.52 0.04 -1.26 -5.03 135.00 132.07 1b79 s PRO 27 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1b79 s PRO 27 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1b79 s PRO 27 CO 0.00 -1.22 0.41 1.58 0.04 0.00 0.00 177.00 177.80 1b79 n HIS 28 N -2.88 0.00 -1.32 0.56 -0.00 -1.26 -4.94 115.22 105.38 1b79 n HIS 28 Ca 0.09 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.44 1b79 n HIS 28 Cb 0.53 -0.24 -0.05 0.00 -0.12 0.00 0.00 29.99 30.11 1b79 n HIS 28 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1b79 n SER 29 N -1.23 -7.75 0.01 0.26 3.41 -1.26 -3.96 113.62 103.10 1b79 n SER 29 Ca 0.00 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1b79 n SER 29 Cb 0.00 -4.10 -0.14 0.00 -0.26 0.00 0.00 64.21 59.71 1b79 n SER 29 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1b79 h ILE 30 N -1.25 0.90 -0.84 -1.33 1.08 -2.00 -3.36 117.51 110.71 1b79 h ILE 30 Ca -0.00 -2.66 0.16 0.00 -0.39 0.00 0.00 64.86 61.97 1b79 h ILE 30 Cb 1.31 2.55 -0.06 0.00 -3.07 0.00 0.00 36.82 37.56 1b79 h ILE 30 CO 0.02 0.71 0.55 -0.33 -0.69 0.00 0.00 178.15 178.41 1b79 h GLU 31 N 0.04 0.48 -0.40 2.37 3.07 -1.99 0.23 114.58 118.39 1b79 h GLU 31 Ca -0.30 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.49 1b79 h GLU 31 Cb 2.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.80 1b79 h GLU 31 CO 0.11 0.32 0.07 0.00 -1.40 0.00 0.00 179.01 178.11 1b79 h ALA 32 N 1.62 0.53 -0.50 3.43 0.00 -1.70 0.18 119.26 122.82 1b79 h ALA 32 Ca 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1b79 h ALA 32 Cb 0.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b79 h ALA 32 CO -0.16 0.23 0.14 0.93 0.00 0.00 0.00 179.25 180.38 1b79 h GLU 33 N 0.50 0.78 -0.58 0.00 5.08 -0.88 -1.39 114.58 118.09 1b79 h GLU 33 Ca 0.12 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1b79 h GLU 33 Cb 0.35 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1b79 h GLU 33 CO 0.01 0.75 0.34 1.96 -1.00 0.00 0.00 179.01 181.07 1b79 h GLN 34 N 0.67 0.65 -0.42 2.33 4.20 -0.45 -0.97 115.11 121.13 1b79 h GLN 34 Ca 0.16 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1b79 h GLN 34 Cb 0.30 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1b79 h GLN 34 CO -0.00 0.43 -0.05 0.77 -0.67 0.00 0.00 178.83 179.31 1b79 h SER 35 N 0.67 0.68 0.23 1.46 0.02 -0.55 0.33 113.55 116.38 1b79 h SER 35 Ca 0.24 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1b79 h SER 35 Cb 0.06 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1b79 h SER 35 CO -0.12 0.78 -0.11 0.58 -1.14 0.00 0.00 176.83 176.82 1b79 h VAL 36 N 0.65 0.84 0.38 2.27 2.07 -0.52 0.15 116.25 122.09 1b79 h VAL 36 Ca 0.12 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1b79 h VAL 36 Cb 0.48 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1b79 h VAL 36 CO 0.02 0.10 -0.18 -0.07 0.02 0.00 0.00 177.57 177.46 1b79 h LEU 37 N -0.54 -0.43 -0.54 2.57 3.38 -0.99 0.23 115.31 118.99 1b79 h LEU 37 Ca -0.03 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1b79 h LEU 37 Cb 0.40 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1b79 h LEU 37 CO 0.05 -0.21 0.32 1.23 0.09 0.00 0.00 178.44 179.92 1b79 h GLY 38 N -0.63 0.76 0.90 0.83 0.00 -0.40 -0.83 103.07 103.69 1b79 h GLY 38 Ca -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1b79 h GLY 38 CO 0.09 0.20 0.51 -1.33 0.00 0.00 0.00 176.54 176.00 1b79 h GLY 39 N 0.63 1.15 1.45 4.60 0.00 -0.57 -0.65 103.07 109.67 1b79 h GLY 39 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1b79 h GLY 39 CO -0.10 0.35 0.08 1.41 0.00 0.00 0.00 176.54 178.27 1b79 h LEU 40 N 1.01 0.64 -0.61 3.11 3.38 -0.16 -0.20 115.31 122.50 1b79 h LEU 40 Ca 0.31 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1b79 h LEU 40 Cb -0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1b79 h LEU 40 CO -0.10 0.66 0.31 0.24 0.09 0.00 0.00 178.44 179.64 1b79 h MET 41 N 0.67 0.86 0.00 1.13 2.86 0.24 -2.46 114.93 118.22 1b79 h MET 41 Ca 0.15 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1b79 h MET 41 Cb 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1b79 h MET 41 CO 0.00 0.68 0.00 -0.07 1.06 0.00 0.00 176.91 178.58 1b79 h LEU 42 N 0.82 0.00 -6.11 1.22 3.38 -0.75 -3.38 115.31 110.50 1b79 h LEU 42 Ca 0.21 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.72 1b79 h LEU 42 Cb 0.09 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.52 1b79 h LEU 42 CO -0.03 0.00 -0.81 -0.62 0.09 0.00 0.00 178.44 177.07 1b79 s ASP 43 N -5.87 0.92 0.41 -0.43 -1.08 -0.13 -4.97 116.67 105.50 1b79 s ASP 43 Ca 0.05 -2.44 0.22 0.00 -0.52 0.00 0.00 52.55 49.87 1b79 s ASP 43 Cb 0.07 0.23 1.20 0.00 -1.46 0.00 0.00 42.92 42.97 1b79 s ASP 43 CO 0.61 -0.18 1.64 0.78 0.52 0.00 0.00 175.17 178.55 1b79 h ASN 44 N 5.91 0.00 0.25 -0.34 -0.26 -1.69 -1.99 115.58 117.45 1b79 h ASN 44 Ca 0.17 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.72 1b79 h ASN 44 Cb 0.98 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1b79 h ASN 44 CO 0.25 0.00 -0.76 -0.33 -1.06 0.00 0.00 177.43 175.53 1b79 h GLU 45 N 0.00 0.43 0.00 0.81 4.39 -1.93 -3.20 114.58 115.08 1b79 h GLU 45 Ca 0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1b79 h GLU 45 Cb 0.32 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1b79 h GLU 45 CO 0.00 1.00 0.00 0.54 -1.16 0.00 0.00 179.01 179.39 1b79 n ARG 46 N -3.83 0.43 0.38 2.33 1.74 -0.75 -3.95 116.66 113.00 1b79 n ARG 46 Ca -0.05 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1b79 n ARG 46 Cb 0.73 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 1b79 n ARG 46 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1b79 h TRP 47 N 0.00 -1.25 -0.89 -1.55 2.91 -1.75 -2.39 115.95 111.03 1b79 h TRP 47 Ca 0.00 -0.01 0.20 0.00 1.13 0.00 0.00 58.89 60.22 1b79 h TRP 47 Cb 0.00 0.46 -0.12 0.00 -0.51 0.00 0.00 29.16 28.99 1b79 h TRP 47 CO 0.00 -0.68 0.40 -0.44 -1.03 0.00 0.00 178.44 176.69 1b79 h ASP 48 N -1.09 0.38 -0.26 2.65 3.32 -1.87 0.33 116.42 119.87 1b79 h ASP 48 Ca -0.09 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1b79 h ASP 48 Cb 0.89 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1b79 h ASP 48 CO 0.05 0.05 0.13 0.44 -1.72 0.00 0.00 179.24 178.19 1b79 h ASP 49 N 0.45 0.34 -0.52 6.45 5.19 -1.81 -1.09 116.42 125.43 1b79 h ASP 49 Ca 0.54 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.75 1b79 h ASP 49 Cb 0.97 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1b79 h ASP 49 CO -0.49 0.37 0.02 0.58 -3.12 0.00 0.00 179.24 176.59 1b79 h VAL 50 N 0.30 1.26 -0.52 -1.35 2.07 -0.63 -2.98 116.25 114.40 1b79 h VAL 50 Ca 0.09 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1b79 h VAL 50 Cb 0.11 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1b79 h VAL 50 CO -0.01 0.38 0.14 0.00 0.02 0.00 0.00 177.57 178.09 1b79 h ALA 51 N 0.95 1.27 0.00 1.67 0.00 -0.26 -0.60 119.26 122.28 1b79 h ALA 51 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b79 h ALA 51 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b79 h ALA 51 CO 0.02 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1b79 n GLU 52 N -4.29 0.19 -0.03 0.00 1.02 -0.43 -3.72 120.64 113.39 1b79 n GLU 52 Ca 0.04 0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1b79 n GLU 52 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1b79 n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b79 n ARG 53 N -1.37 3.00 -4.21 3.49 1.74 -0.80 -5.08 116.66 113.42 1b79 n ARG 53 Ca 0.08 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.04 1b79 n ARG 53 Cb 0.20 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 1b79 n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b79 s VAL 54 N -2.13 0.72 0.12 1.55 0.11 -0.30 -4.68 120.40 115.79 1b79 s VAL 54 Ca -0.03 -1.97 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 1b79 s VAL 54 Cb 0.02 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 1b79 s VAL 54 CO 0.22 -0.66 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.54 1b79 s VAL 55 N -3.62 1.09 0.21 2.04 1.01 -1.26 -4.56 120.40 115.31 1b79 s VAL 55 Ca 0.18 -1.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.14 1b79 s VAL 55 Cb 0.05 -1.61 0.20 0.00 0.00 0.00 0.00 36.38 35.02 1b79 s VAL 55 CO 0.00 -0.63 1.59 0.00 0.00 0.00 0.00 175.10 176.05 1b79 h ALA 56 N 3.18 0.15 0.00 5.51 0.00 -1.93 -0.47 119.26 125.71 1b79 h ALA 56 Ca -0.37 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1b79 h ALA 56 Cb 1.19 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1b79 h ALA 56 CO 0.58 -0.59 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 1b79 n ASP 57 N -5.46 0.00 0.08 0.00 8.00 -1.26 -2.10 116.55 115.81 1b79 n ASP 57 Ca 0.07 -0.23 0.13 0.00 0.71 0.00 0.00 54.79 55.47 1b79 n ASP 57 Cb 0.37 -0.07 0.32 0.00 -0.02 0.00 0.00 41.12 41.71 1b79 n ASP 57 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1b79 n ASP 58 N -1.07 0.71 -4.78 -2.24 8.00 -0.18 -4.86 116.55 112.12 1b79 n ASP 58 Ca 0.08 0.35 -0.38 0.00 0.71 0.00 0.00 54.79 55.55 1b79 n ASP 58 Cb 0.05 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 1b79 n ASP 58 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b79 s PHE 59 N -3.12 3.76 0.00 1.24 0.40 -0.89 -4.82 117.98 114.54 1b79 s PHE 59 Ca 0.09 1.70 0.00 0.00 -0.60 0.00 0.00 56.93 58.12 1b79 s PHE 59 Cb 0.13 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1b79 s PHE 59 CO 0.65 0.32 0.83 0.66 0.70 0.00 0.00 175.22 178.37 1b79 n TYR 60 N 0.87 0.00 -2.01 0.36 4.01 -1.26 -4.82 117.16 114.31 1b79 n TYR 60 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1b79 n TYR 60 Cb 0.50 -0.48 0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1b79 n TYR 60 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1b79 s THR 61 N -2.62 3.24 0.07 -0.72 -4.23 -1.26 -4.97 115.64 105.15 1b79 s THR 61 Ca 0.00 0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 60.96 1b79 s THR 61 Cb 0.00 -3.20 -0.13 0.00 1.34 0.00 0.00 72.50 70.51 1b79 s THR 61 CO 0.00 -0.27 1.56 -0.09 -0.54 0.00 0.00 174.62 175.28 1b79 h ARG 62 N 0.59 0.18 -0.54 3.99 9.65 -1.98 -2.52 114.38 123.75 1b79 h ARG 62 Ca -0.48 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 58.47 1b79 h ARG 62 Cb 1.25 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.71 1b79 h ARG 62 CO 0.56 0.34 -0.07 -1.35 2.80 0.00 0.00 179.97 182.25 1b79 h PRO 63 N -0.01 0.05 -0.71 0.20 0.11 -1.87 -1.00 132.00 128.77 1b79 h PRO 63 Ca 0.04 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1b79 h PRO 63 Cb 0.24 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1b79 h PRO 63 CO -0.00 0.03 0.32 0.45 -0.21 0.00 0.00 178.00 178.60 1b79 h HIS 64 N 0.05 1.02 -0.39 0.65 3.86 -1.86 0.11 115.15 118.59 1b79 h HIS 64 Ca 0.27 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 1b79 h HIS 64 Cb 0.42 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1b79 h HIS 64 CO -0.40 0.75 0.05 0.00 0.86 0.00 0.00 177.93 179.19 1b79 h ARG 65 N 1.01 0.65 -0.16 2.45 3.08 -0.90 -1.09 114.38 119.43 1b79 h ARG 65 Ca 0.24 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b79 h ARG 65 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1b79 h ARG 65 CO -0.03 0.72 0.09 1.25 -1.07 0.00 0.00 179.97 180.93 1b79 h HIS 66 N 0.49 0.21 -0.38 3.04 2.76 -0.55 0.05 115.15 120.77 1b79 h HIS 66 Ca 0.12 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1b79 h HIS 66 Cb 0.39 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1b79 h HIS 66 CO 0.03 0.18 0.23 0.82 -1.30 0.00 0.00 177.93 177.90 1b79 h ILE 67 N 0.17 1.06 -0.29 6.26 2.04 -0.70 -1.18 117.51 124.87 1b79 h ILE 67 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1b79 h ILE 67 Cb 0.04 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1b79 h ILE 67 CO -0.01 0.09 0.19 0.15 0.00 0.00 0.00 178.15 178.56 1b79 h PHE 68 N 0.47 0.37 -0.77 1.37 3.57 -0.85 0.80 116.94 121.91 1b79 h PHE 68 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1b79 h PHE 68 Cb -0.02 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1b79 h PHE 68 CO -0.07 0.25 0.48 1.15 -2.23 0.00 0.00 178.31 177.89 1b79 h THR 69 N 0.39 1.07 -0.27 4.41 2.02 -0.80 -0.40 112.91 119.33 1b79 h THR 69 Ca 0.11 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1b79 h THR 69 Cb -0.03 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1b79 h THR 69 CO -0.02 0.17 0.15 -0.08 0.37 0.00 0.00 175.52 176.11 1b79 h GLU 70 N 0.91 0.37 -0.27 6.66 4.57 -0.49 -0.57 114.58 125.76 1b79 h GLU 70 Ca 0.32 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1b79 h GLU 70 Cb 0.08 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1b79 h GLU 70 CO -0.14 0.32 -0.00 0.52 -1.18 0.00 0.00 179.01 178.53 1b79 h MET 71 N 0.33 0.41 0.16 1.92 2.86 -0.50 -0.28 114.93 119.83 1b79 h MET 71 Ca 0.10 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1b79 h MET 71 Cb 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1b79 h MET 71 CO -0.02 0.44 -0.08 0.00 1.06 0.00 0.00 176.91 178.32 1b79 h ALA 72 N 1.60 -0.21 0.19 6.32 0.00 -0.35 -0.37 119.26 126.45 1b79 h ALA 72 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1b79 h ALA 72 Cb 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1b79 h ALA 72 CO 0.01 -0.54 -0.26 -0.09 0.00 0.00 0.00 179.25 178.37 1b79 h ARG 73 N -0.38 -0.49 0.19 0.00 2.43 -0.72 0.69 114.38 116.10 1b79 h ARG 73 Ca -0.02 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1b79 h ARG 73 Cb 0.30 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1b79 h ARG 73 CO 0.04 -0.33 -0.42 -0.07 -1.51 0.00 0.00 179.97 177.68 1b79 h LEU 74 N -0.51 -1.23 -1.26 3.80 3.38 -1.03 -1.86 115.31 116.62 1b79 h LEU 74 Ca 0.01 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1b79 h LEU 74 Cb 0.50 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1b79 h LEU 74 CO -0.10 -0.51 0.50 -0.61 0.09 0.00 0.00 178.44 177.81 1b79 h GLN 75 N -0.70 1.00 0.00 1.13 5.75 -0.98 -0.55 115.11 120.74 1b79 h GLN 75 Ca 0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1b79 h GLN 75 Cb 0.70 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1b79 h GLN 75 CO -0.20 0.66 0.00 0.39 -2.65 0.00 0.00 178.83 177.03 1b79 n GLU 76 N -4.42 0.49 -0.13 1.69 -0.58 0.23 -2.44 120.64 115.48 1b79 n GLU 76 Ca 0.08 0.04 0.04 0.00 -0.42 0.00 0.00 57.16 56.91 1b79 n GLU 76 Cb 0.04 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.52 1b79 n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1b79 n SER 77 N -1.19 2.67 0.00 1.62 3.41 -0.32 -4.98 113.62 114.83 1b79 n SER 77 Ca 0.14 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1b79 n SER 77 Cb 0.15 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1b79 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b79 n GLY 78 N 0.06 0.83 3.86 5.00 0.00 -1.02 -5.05 105.19 108.87 1b79 n GLY 78 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1b79 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b79 s SER 79 N -2.97 6.75 0.82 1.61 0.01 -0.56 -4.98 113.70 114.38 1b79 s SER 79 Ca 0.00 0.99 -0.10 0.00 1.31 0.00 0.00 55.95 58.15 1b79 s SER 79 Cb 0.00 -2.26 0.09 0.00 0.21 0.00 0.00 66.02 64.06 1b79 s SER 79 CO 0.00 0.07 1.11 -2.84 0.41 0.00 0.00 173.24 171.98 1b79 s PRO 80 N -2.18 1.81 -0.20 12.44 0.02 -1.26 -3.35 135.00 142.27 1b79 s PRO 80 Ca 0.40 1.26 0.12 0.00 0.02 0.00 0.00 61.00 62.80 1b79 s PRO 80 Cb -0.14 -1.84 0.41 0.00 0.02 0.00 0.00 34.50 32.95 1b79 s PRO 80 CO 0.20 -1.99 1.24 0.44 -0.33 0.00 0.00 177.00 176.56 1b79 n ILE 81 N -3.77 2.19 -1.42 2.83 -5.35 -1.26 -4.61 119.36 107.98 1b79 n ILE 81 Ca 0.10 -2.97 -0.30 0.00 -0.27 0.00 0.00 62.75 59.32 1b79 n ILE 81 Cb 0.53 -0.25 0.12 0.00 -1.74 0.00 0.00 39.64 38.30 1b79 n ILE 81 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1b79 s ASP 82 N -3.05 3.87 0.20 7.28 -4.77 -1.26 -4.32 116.67 114.62 1b79 s ASP 82 Ca 0.38 1.29 -0.17 0.00 -3.30 0.00 0.00 52.55 50.75 1b79 s ASP 82 Cb 0.36 -1.98 0.17 0.00 -1.09 0.00 0.00 42.92 40.38 1b79 s ASP 82 CO -0.04 -2.36 1.61 0.25 0.70 0.00 0.00 175.17 175.33 1b79 h LEU 83 N -1.36 -0.83 -0.11 2.11 5.85 -1.96 -0.61 115.31 118.40 1b79 h LEU 83 Ca -0.49 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1b79 h LEU 83 Cb 1.29 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1b79 h LEU 83 CO 0.58 -0.26 0.05 0.40 -0.34 0.00 0.00 178.44 178.88 1b79 h ILE 84 N -0.09 1.13 -0.36 4.05 2.04 -1.97 0.19 117.51 122.50 1b79 h ILE 84 Ca 0.26 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1b79 h ILE 84 Cb 0.50 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1b79 h ILE 84 CO -0.64 0.12 0.18 0.74 0.00 0.00 0.00 178.15 178.55 1b79 h THR 85 N 0.04 1.16 0.85 -0.27 2.02 -1.81 -1.56 112.91 113.35 1b79 h THR 85 Ca 0.04 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1b79 h THR 85 Cb 0.14 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1b79 h THR 85 CO -0.00 0.16 -0.41 0.25 0.37 0.00 0.00 175.52 175.89 1b79 h LEU 86 N 0.45 -0.96 -1.47 2.58 5.85 -1.00 -1.64 115.31 119.11 1b79 h LEU 86 Ca 0.13 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1b79 h LEU 86 Cb 0.09 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1b79 h LEU 86 CO -0.02 -0.67 0.50 0.00 -0.34 0.00 0.00 178.44 177.91 1b79 h ALA 87 N -1.02 1.94 -0.27 1.25 0.00 -0.95 -1.09 119.26 119.11 1b79 h ALA 87 Ca -0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1b79 h ALA 87 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1b79 h ALA 87 CO 0.19 -0.12 0.05 1.49 0.00 0.00 0.00 179.25 180.85 1b79 h GLU 88 N 0.56 0.44 -0.24 0.00 4.81 -1.07 -2.02 114.58 117.06 1b79 h GLU 88 Ca 0.36 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.33 1b79 h GLU 88 Cb 0.64 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1b79 h GLU 88 CO -0.13 0.56 -0.46 0.66 -0.73 0.00 0.00 179.01 178.91 1b79 h SER 89 N 0.26 0.68 0.25 1.04 4.64 -0.34 -2.07 113.55 118.02 1b79 h SER 89 Ca 0.08 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1b79 h SER 89 Cb 0.33 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1b79 h SER 89 CO 0.00 1.04 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.53 1b79 h LEU 90 N 0.50 0.21 -0.08 5.97 3.38 -1.21 -2.82 115.31 121.27 1b79 h LEU 90 Ca 0.03 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1b79 h LEU 90 Cb 1.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1b79 h LEU 90 CO 0.09 0.60 -0.33 -0.08 0.09 0.00 0.00 178.44 178.81 1b79 h GLU 91 N 0.17 0.36 0.00 1.13 4.81 -1.23 -1.02 114.58 118.80 1b79 h GLU 91 Ca 0.02 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1b79 h GLU 91 Cb 0.78 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1b79 h GLU 91 CO 0.06 0.92 0.00 0.54 -0.73 0.00 0.00 179.01 179.80 1b79 n ARG 92 N -4.41 0.01 -0.14 1.92 1.74 -0.79 -1.42 116.66 113.57 1b79 n ARG 92 Ca -0.08 0.43 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 1b79 n ARG 92 Cb 0.50 -1.52 0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1b79 n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b79 n GLN 93 N -1.53 2.71 -0.51 5.56 6.02 -1.07 -4.97 117.38 123.59 1b79 n GLN 93 Ca 0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1b79 n GLN 93 Cb 0.06 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1b79 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b79 n GLY 94 N 0.37 0.62 0.29 1.08 0.00 -0.51 -4.82 105.19 102.23 1b79 n GLY 94 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1b79 n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b79 n GLN 95 N -2.00 1.35 -0.36 1.61 6.02 -0.46 -4.15 117.38 119.40 1b79 n GLN 95 Ca 0.00 -0.59 -0.00 0.00 -0.01 0.00 0.00 57.00 56.40 1b79 n GLN 95 Cb 0.00 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 29.90 1b79 n GLN 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1b79 h LEU 96 N 1.44 1.05 -0.42 1.08 5.85 -1.66 -2.24 115.31 120.41 1b79 h LEU 96 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1b79 h LEU 96 Cb 0.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1b79 h LEU 96 CO 0.00 0.72 -0.03 0.44 -0.34 0.00 0.00 178.44 179.23 1b79 h ASP 97 N 1.22 0.75 0.19 1.25 3.32 -1.89 0.37 116.42 121.63 1b79 h ASP 97 Ca 0.38 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1b79 h ASP 97 Cb -0.01 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1b79 h ASP 97 CO -0.12 0.89 -0.02 0.77 -1.72 0.00 0.00 179.24 179.05 1b79 h SER 98 N 0.59 0.00 0.49 6.45 4.64 -1.66 -1.72 113.55 122.33 1b79 h SER 98 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1b79 h SER 98 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1b79 h SER 98 CO 0.03 0.02 -0.95 0.52 -0.87 0.00 0.00 176.83 175.57 1b79 n VAL 99 N -3.28 0.19 0.00 0.95 0.31 -1.00 -4.58 118.33 110.91 1b79 n VAL 99 Ca -0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1b79 n VAL 99 Cb 0.13 0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1b79 n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b79 n GLY 100 N 1.37 1.12 0.53 2.92 0.00 -0.65 -4.80 105.19 105.69 1b79 n GLY 100 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1b79 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b79 n GLY 101 N 0.00 -2.08 0.36 -0.02 0.00 0.13 -3.34 105.19 100.23 1b79 n GLY 101 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.69 1b79 n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1b79 h PHE 102 N -0.50 0.93 -0.76 1.61 3.57 -1.97 -2.62 116.94 117.19 1b79 h PHE 102 Ca -0.02 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1b79 h PHE 102 Cb 0.49 -0.31 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 1b79 h PHE 102 CO -0.21 0.52 0.28 0.00 -2.23 0.00 0.00 178.31 176.68 1b79 h ALA 103 N 1.55 1.07 -0.32 2.41 0.00 -1.98 0.25 119.26 122.25 1b79 h ALA 103 Ca 0.32 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1b79 h ALA 103 Cb 0.10 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b79 h ALA 103 CO -0.10 -0.25 -0.31 -0.92 0.00 0.00 0.00 179.25 177.67 1b79 h TYR 104 N 0.40 0.92 -0.77 0.00 3.20 -1.47 -0.81 116.97 118.44 1b79 h TYR 104 Ca 0.43 -0.27 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1b79 h TYR 104 Cb 0.69 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1b79 h TYR 104 CO -0.18 1.04 0.25 -0.07 -1.64 0.00 0.00 178.16 177.56 1b79 h LEU 105 N 0.53 1.10 -0.48 2.82 3.38 -1.24 -0.26 115.31 121.16 1b79 h LEU 105 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1b79 h LEU 105 Cb 0.88 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1b79 h LEU 105 CO 0.08 1.01 0.28 0.00 0.09 0.00 0.00 178.44 179.89 1b79 h ALA 106 N 1.14 0.62 -0.58 1.53 0.00 -0.37 -1.49 119.26 120.11 1b79 h ALA 106 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1b79 h ALA 106 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1b79 h ALA 106 CO -0.01 0.12 0.37 1.49 0.00 0.00 0.00 179.25 181.22 1b79 h GLU 107 N 0.64 0.72 -0.81 0.00 4.81 -0.71 -1.13 114.58 118.11 1b79 h GLU 107 Ca 0.17 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1b79 h GLU 107 Cb 0.02 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1b79 h GLU 107 CO -0.03 0.48 0.46 -0.07 -0.73 0.00 0.00 179.01 179.12 1b79 h LEU 108 N 0.75 0.99 -0.93 1.64 3.38 -0.68 0.01 115.31 120.46 1b79 h LEU 108 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1b79 h LEU 108 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1b79 h LEU 108 CO -0.07 0.79 0.33 -1.28 0.09 0.00 0.00 178.44 178.30 1b79 h SER 109 N 1.11 1.00 0.13 -0.43 0.87 -0.69 -3.15 113.55 112.39 1b79 h SER 109 Ca 0.29 -0.13 -0.27 0.00 -1.23 0.00 0.00 61.79 60.44 1b79 h SER 109 Cb 0.01 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1b79 h SER 109 CO -0.05 0.87 -1.37 0.11 -0.53 0.00 0.00 176.83 175.86 1b79 h LYS 110 N 1.08 0.27 -0.74 2.24 1.57 -0.95 -3.39 116.57 116.64 1b79 h LYS 110 Ca 0.26 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1b79 h LYS 110 Cb 0.16 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1b79 h LYS 110 CO -0.03 1.22 0.35 -0.91 -0.57 0.00 0.00 179.45 179.51 1b79 h ASN 111 N -0.28 0.96 -3.21 0.86 4.21 -1.08 -3.42 115.58 113.62 1b79 h ASN 111 Ca -0.29 -0.11 -0.57 0.00 1.21 0.00 0.00 56.30 56.54 1b79 h ASN 111 Cb 1.78 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 38.68 1b79 h ASN 111 CO 0.08 0.82 0.93 0.42 -1.29 0.00 0.00 177.43 178.38 1b79 s THR 112 N -5.59 4.27 0.37 2.81 -4.23 -1.19 -5.01 115.64 107.07 1b79 s THR 112 Ca -0.11 1.44 -0.26 0.00 -1.18 0.00 0.00 61.69 61.58 1b79 s THR 112 Cb 0.16 -4.25 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 1b79 s THR 112 CO 0.81 -0.48 1.17 -2.16 -0.54 0.00 0.00 174.62 173.42 1b79 s PRO 113 N 3.98 4.19 0.55 3.99 0.04 -1.26 -4.85 135.00 141.64 1b79 s PRO 113 Ca 0.52 1.86 0.36 0.00 0.04 0.00 0.00 61.00 63.78 1b79 s PRO 113 Cb -0.15 -2.79 1.69 0.00 0.04 0.00 0.00 34.50 33.29 1b79 s PRO 113 CO 0.21 -0.21 2.07 0.66 0.04 0.00 0.00 177.00 179.77 1b79 h SER 114 N 2.90 0.00 -0.71 6.66 4.64 -1.96 -3.29 113.55 121.79 1b79 h SER 114 Ca -0.48 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.14 1b79 h SER 114 Cb 1.23 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 1b79 h SER 114 CO 0.63 0.00 2.83 0.00 -0.87 0.00 0.00 176.83 179.43 1b79 n ALA 115 N -2.04 7.08 -2.77 5.18 0.00 -1.26 -4.91 120.51 121.79 1b79 n ALA 115 Ca -0.01 -3.81 -0.09 0.00 0.00 0.00 0.00 53.44 49.53 1b79 n ALA 115 Cb 0.20 -2.96 -0.10 0.00 0.00 0.00 0.00 19.45 16.59 1b79 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b79 s ALA 116 N 0.06 0.03 -0.75 0.00 0.00 -1.24 -5.10 121.76 114.76 1b79 s ALA 116 Ca 0.60 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1b79 s ALA 116 Cb 0.19 0.20 0.14 0.00 0.00 0.00 0.00 23.12 23.65 1b79 s ALA 116 CO -0.08 -0.26 0.86 1.21 0.00 0.00 0.00 175.76 177.48 1b79 s ASN 117 N -1.92 6.44 0.31 0.00 3.84 -1.26 -4.91 114.94 117.44 1b79 s ASN 117 Ca -0.08 -1.87 0.01 0.00 0.21 0.00 0.00 52.86 51.13 1b79 s ASN 117 Cb -0.04 -2.32 0.54 0.00 -0.55 0.00 0.00 41.25 38.88 1b79 s ASN 117 CO -0.03 -1.00 1.94 0.16 -2.79 0.00 0.00 177.10 175.37 1b79 h ILE 118 N 5.65 1.10 -0.72 -5.21 -0.00 -1.98 -2.31 117.51 114.05 1b79 h ILE 118 Ca -0.07 -0.35 -0.04 0.00 -0.00 0.00 0.00 64.86 64.40 1b79 h ILE 118 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 37.85 1b79 h ILE 118 CO 1.03 0.18 0.29 0.28 -0.00 0.00 0.00 178.15 179.93 1b79 h SER 119 N 1.01 0.98 0.20 2.16 0.02 -1.93 0.35 113.55 116.34 1b79 h SER 119 Ca 0.35 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1b79 h SER 119 Cb 0.10 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1b79 h SER 119 CO -0.11 0.88 -0.09 0.00 -1.14 0.00 0.00 176.83 176.36 1b79 h ALA 120 N 1.26 -0.26 -0.49 3.77 0.00 -1.85 -1.15 119.26 120.54 1b79 h ALA 120 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1b79 h ALA 120 Cb 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1b79 h ALA 120 CO -0.02 -0.57 0.14 1.88 0.00 0.00 0.00 179.25 180.68 1b79 h TYR 121 N -0.41 0.74 -0.60 0.00 0.05 -1.13 0.27 116.97 115.89 1b79 h TYR 121 Ca -0.03 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1b79 h TYR 121 Cb 0.31 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1b79 h TYR 121 CO -0.02 0.61 0.35 0.00 -1.05 0.00 0.00 178.16 178.06 1b79 h ALA 122 N 1.45 1.50 0.01 3.88 0.00 -0.02 0.52 119.26 126.59 1b79 h ALA 122 Ca 0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1b79 h ALA 122 Cb 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b79 h ALA 122 CO -0.01 0.43 -0.99 -0.44 0.00 0.00 0.00 179.25 178.24 1b79 h ASP 123 N 0.82 0.64 -0.86 0.00 3.32 -0.16 -2.29 116.42 117.90 1b79 h ASP 123 Ca 0.22 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1b79 h ASP 123 Cb -0.02 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1b79 h ASP 123 CO -0.04 1.33 0.45 0.40 -1.72 0.00 0.00 179.24 179.66 1b79 h ILE 124 N 0.27 1.26 -0.32 0.35 2.04 -0.11 -2.27 117.51 118.73 1b79 h ILE 124 Ca -0.10 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 1b79 h ILE 124 Cb 1.64 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1b79 h ILE 124 CO 0.18 0.30 -0.31 0.58 0.00 0.00 0.00 178.15 178.89 1b79 h VAL 125 N 1.21 1.28 0.00 1.67 2.07 -0.92 -2.82 116.25 118.75 1b79 h VAL 125 Ca 0.30 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1b79 h VAL 125 Cb 0.06 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1b79 h VAL 125 CO -0.04 0.47 -0.14 -0.09 0.02 0.00 0.00 177.57 177.79 1b79 h ARG 126 N 0.59 0.00 0.00 1.57 9.65 -0.86 -3.45 114.38 121.88 1b79 h ARG 126 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1b79 h ARG 126 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1b79 h ARG 126 CO 0.07 0.14 0.00 0.39 2.80 0.00 0.00 179.97 183.36