#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g11 n THR 2 N 0.00 0.07 -3.74 0.44 5.66 -1.26 -5.10 114.28 110.35 1g11 n THR 2 Ca 0.00 -1.67 -0.38 0.00 -3.05 0.00 0.00 64.05 58.95 1g11 n THR 2 Cb 0.00 1.05 -0.12 0.00 -1.55 0.00 0.00 70.33 69.71 1g11 n THR 2 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1g11 s LEU 3 N -2.99 4.18 0.18 1.09 0.20 -1.26 -5.05 118.68 115.03 1g11 s LEU 3 Ca 0.23 -0.98 -0.24 0.00 0.69 0.00 0.00 54.13 53.83 1g11 s LEU 3 Cb 0.38 -1.88 0.05 0.00 -0.43 0.00 0.00 46.19 44.31 1g11 s LEU 3 CO -0.07 -0.29 0.80 0.00 -0.29 0.00 0.00 176.35 176.51 1g11 s ALA 4 N 1.45 -1.51 0.05 5.97 0.00 -1.26 -5.18 121.76 121.28 1g11 s ALA 4 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1g11 s ALA 4 Cb -0.19 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1g11 s ALA 4 CO 0.03 -0.95 -0.16 -0.51 0.00 0.00 0.00 175.76 174.17 1g11 s ASP 5 N -2.84 1.84 0.00 0.00 1.11 -1.26 -5.09 116.67 110.43 1g11 s ASP 5 Ca 0.09 -0.51 0.00 0.00 0.18 0.00 0.00 52.55 52.31 1g11 s ASP 5 Cb -0.03 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.85 1g11 s ASP 5 CO 0.00 0.03 0.00 1.67 1.18 0.00 0.00 175.17 178.05 1g11 n GLN 6 N 1.71 0.00 -2.88 8.23 7.27 -1.26 -4.99 117.38 125.46 1g11 n GLN 6 Ca -0.19 0.13 -0.02 0.00 0.07 0.00 0.00 57.00 57.00 1g11 n GLN 6 Cb 0.54 -0.51 0.01 0.00 2.41 0.00 0.00 30.24 32.69 1g11 n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g11 s ALA 7 N -3.70 -2.89 0.40 1.69 0.00 -1.26 -5.16 121.76 110.85 1g11 s ALA 7 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1g11 s ALA 7 Cb 0.00 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1g11 s ALA 7 CO 0.00 -2.31 0.22 1.28 0.00 0.00 0.00 175.76 174.94 1g11 n LEU 8 N 3.43 0.00 -2.51 0.00 4.32 -1.26 -4.94 117.00 116.04 1g11 n LEU 8 Ca 0.13 -2.22 -0.01 0.00 -0.02 0.00 0.00 56.01 53.89 1g11 n LEU 8 Cb 0.59 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1g11 n LEU 8 CO -0.04 -0.46 -0.34 1.41 -1.22 0.00 0.00 177.39 176.74 1g11 n HIS 9 N -1.32 -3.24 -1.09 -1.77 8.25 -1.26 -4.88 115.22 109.92 1g11 n HIS 9 Ca -0.06 1.42 0.00 0.00 -0.26 0.00 0.00 57.72 58.82 1g11 n HIS 9 Cb 0.47 -3.58 0.00 0.00 1.12 0.00 0.00 29.99 28.00 1g11 n HIS 9 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1g11 n ASN 10 N 0.45 -5.98 0.00 0.41 4.13 -1.26 -5.01 115.26 107.99 1g11 n ASN 10 Ca 0.01 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1g11 n ASN 10 Cb 0.05 -3.14 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1g11 n ASN 11 N -1.82 0.00 -3.65 6.41 3.02 -1.04 -4.98 115.26 113.20 1g11 n ASN 11 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1g11 n ASN 11 Cb 0.22 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.32 1g11 n ASN 11 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1g11 s ASN 12 N 1.41 -0.10 -0.14 6.41 4.22 -0.33 -4.33 114.94 122.09 1g11 s ASN 12 Ca 0.00 0.20 -0.05 0.00 -2.14 0.00 0.00 52.86 50.86 1g11 s ASN 12 Cb 0.00 0.25 -0.04 0.00 1.28 0.00 0.00 41.25 42.75 1g11 s ASN 12 CO 0.00 -0.03 0.05 0.68 -2.04 0.00 0.00 177.10 175.76 1g11 s VAL 13 N 0.12 4.73 -0.66 3.54 -7.23 -0.97 -4.65 120.40 115.27 1g11 s VAL 13 Ca 0.06 -0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1g11 s VAL 13 Cb -0.05 -3.07 0.20 0.00 0.56 0.00 0.00 36.38 34.02 1g11 s VAL 13 CO -0.14 0.54 0.58 0.61 -0.31 0.00 0.00 175.10 176.38 1g11 n GLY 14 N 2.77 4.18 3.76 2.32 0.00 -1.26 -2.54 105.19 114.42 1g11 n GLY 14 Ca -0.18 -2.57 -0.40 0.00 0.00 0.00 0.00 46.02 42.87 1g11 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g11 s PRO 15 N -1.74 4.66 -0.02 1.61 0.04 -1.24 -2.56 135.00 135.75 1g11 s PRO 15 Ca 0.31 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1g11 s PRO 15 Cb 0.03 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 1g11 s PRO 15 CO -0.12 0.25 -0.16 0.42 0.04 0.00 0.00 177.00 177.43 1g11 s ILE 16 N -1.17 1.26 0.32 0.56 -1.09 -1.00 -2.52 121.20 117.55 1g11 s ILE 16 Ca 0.44 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1g11 s ILE 16 Cb -0.31 -1.06 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1g11 s ILE 16 CO 0.40 0.36 0.36 0.27 -1.23 0.00 0.00 174.94 175.10 1g11 s ILE 17 N -0.21 0.00 -0.80 2.92 -0.00 -0.86 -2.25 121.20 119.99 1g11 s ILE 17 Ca 0.03 -1.80 0.01 0.00 -0.00 0.00 0.00 60.65 58.89 1g11 s ILE 17 Cb -0.08 -2.55 0.34 0.00 -0.00 0.00 0.00 42.46 40.17 1g11 s ILE 17 CO 0.00 0.00 1.51 -2.11 -0.00 0.00 0.00 174.94 174.35 1g11 n ARG 18 N -0.55 4.15 -1.02 0.37 1.85 -1.26 -2.62 116.66 117.57 1g11 n ARG 18 Ca 0.04 -4.54 -0.35 0.00 -1.00 0.00 0.00 57.85 52.00 1g11 n ARG 18 Cb 0.62 -2.35 0.03 0.00 -1.05 0.00 0.00 32.46 29.71 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g11 n ALA 19 N -0.24 -4.47 -0.36 2.89 0.00 -1.18 -4.84 120.51 112.32 1g11 n ALA 19 Ca 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g11 n ALA 19 Cb 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1g11 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g11 n GLY 20 N 2.94 -0.08 1.10 0.00 0.00 -1.26 -4.42 105.19 103.47 1g11 n GLY 20 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1g11 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g11 n ASP 21 N -2.03 -0.46 -0.46 1.61 2.03 -1.26 -4.94 116.55 111.03 1g11 n ASP 21 Ca 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1g11 n ASP 21 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1g11 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1g11 n LEU 22 N -0.20 0.00 0.09 -2.67 4.77 -1.26 -4.84 117.00 112.89 1g11 n LEU 22 Ca -0.10 -0.94 0.12 0.00 -0.03 0.00 0.00 56.01 55.07 1g11 n LEU 22 Cb 0.50 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.84 1g11 n LEU 22 CO -0.06 0.58 0.56 0.58 -1.33 0.00 0.00 177.39 177.71 1g11 h VAL 23 N 5.79 0.00 0.25 4.08 2.07 -1.97 -2.69 116.25 123.78 1g11 h VAL 23 Ca 0.00 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1g11 h VAL 23 Cb 1.19 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1g11 h VAL 23 CO 0.00 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.14 1g11 h GLU 24 N 0.00 -0.32 0.00 1.57 5.08 -1.98 0.61 114.58 119.54 1g11 h GLU 24 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1g11 h GLU 24 Cb 0.77 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1g11 h GLU 24 CO 0.00 0.03 0.00 -1.00 -1.00 0.00 0.00 179.01 177.04 1g11 h PRO 25 N -0.93 0.00 0.21 2.33 0.13 -1.94 -1.76 132.00 130.04 1g11 h PRO 25 Ca -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.79 1g11 h PRO 25 Cb 0.49 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.65 1g11 h PRO 25 CO 0.06 0.00 -1.39 0.28 -0.23 0.00 0.00 178.00 176.72 1g11 h VAL 26 N 0.00 1.24 -0.37 1.56 2.07 -1.51 -2.85 116.25 116.38 1g11 h VAL 26 Ca 0.00 -2.60 -0.15 0.00 0.82 0.00 0.00 66.70 64.78 1g11 h VAL 26 Cb 0.67 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1g11 h VAL 26 CO 0.00 0.79 -0.35 -0.29 0.02 0.00 0.00 177.57 177.74 1g11 h ILE 27 N -0.02 1.28 -0.85 4.57 6.09 -0.78 0.43 117.51 128.23 1g11 h ILE 27 Ca -0.26 -1.52 -0.01 0.00 -1.37 0.00 0.00 64.86 61.71 1g11 h ILE 27 Cb 2.01 1.36 -0.04 0.00 0.47 0.00 0.00 36.82 40.61 1g11 h ILE 27 CO 0.21 0.50 0.48 -0.08 -3.07 0.00 0.00 178.15 176.19 1g11 h GLU 28 N 0.72 1.17 0.00 2.19 4.22 -1.41 0.51 114.58 121.97 1g11 h GLU 28 Ca 0.07 -0.13 -0.18 0.00 0.08 0.00 0.00 59.36 59.20 1g11 h GLU 28 Cb 0.92 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1g11 h GLU 28 CO 0.08 0.85 -0.85 1.15 -2.18 0.00 0.00 179.01 178.06 1g11 h THR 29 N 1.17 1.45 0.00 0.32 2.02 -1.33 -2.78 112.91 113.77 1g11 h THR 29 Ca 0.30 -3.06 0.00 0.00 0.77 0.00 0.00 66.41 64.42 1g11 h THR 29 Cb 0.01 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1g11 h THR 29 CO -0.05 0.83 0.00 0.00 0.37 0.00 0.00 175.52 176.67 1g11 n ALA 30 N -2.31 2.28 0.04 6.16 0.00 0.15 -2.70 120.51 124.12 1g11 n ALA 30 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1g11 n ALA 30 Cb 0.88 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 1g11 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g11 h GLU 31 N 0.00 0.33 -0.49 0.00 4.39 0.09 -3.21 114.58 115.69 1g11 h GLU 31 Ca 0.00 -0.56 -0.06 0.00 0.34 0.00 0.00 59.36 59.08 1g11 h GLU 31 Cb 0.70 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1g11 h GLU 31 CO 0.00 1.27 0.04 -0.84 -1.16 0.00 0.00 179.01 178.31 1g11 h ILE 32 N -0.01 1.23 -0.17 3.13 3.07 -1.50 -1.76 117.51 121.51 1g11 h ILE 32 Ca -0.36 -0.93 -0.05 0.00 1.55 0.00 0.00 64.86 65.07 1g11 h ILE 32 Cb 2.00 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 39.36 1g11 h ILE 32 CO 0.12 0.33 -0.11 -0.78 -1.05 0.00 0.00 178.15 176.66 1g11 h ASP 33 N 0.74 0.25 -3.17 2.16 3.58 -1.64 -3.41 116.42 114.93 1g11 h ASP 33 Ca 0.15 -0.05 -0.60 0.00 0.42 0.00 0.00 57.03 56.95 1g11 h ASP 33 Cb 0.40 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.30 1g11 h ASP 33 CO 0.01 0.40 -0.25 0.21 -2.88 0.00 0.00 179.24 176.73 1g11 s ASN 34 N -6.87 6.61 0.00 2.28 3.84 -0.66 -4.93 114.94 115.21 1g11 s ASN 34 Ca -0.06 0.72 0.23 0.00 0.21 0.00 0.00 52.86 53.96 1g11 s ASN 34 Cb 0.15 -2.22 1.38 0.00 -0.55 0.00 0.00 41.25 40.02 1g11 s ASN 34 CO 0.73 0.17 1.76 -0.81 -2.79 0.00 0.00 177.10 176.16 1g11 n PRO 35 N 2.95 0.75 -1.21 0.43 -0.04 -1.26 -4.08 135.00 132.53 1g11 n PRO 35 Ca -0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 1g11 n PRO 35 Cb 0.52 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 1g11 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g11 n GLY 36 N 0.48 3.65 3.01 0.55 0.00 -1.26 -4.80 105.19 106.82 1g11 n GLY 36 Ca 0.17 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1g11 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g11 n LYS 37 N 2.53 1.48 -2.65 1.61 4.01 -1.26 -3.57 118.16 120.31 1g11 n LYS 37 Ca 0.55 -1.64 -0.03 0.00 -0.51 0.00 0.00 58.31 56.68 1g11 n LYS 37 Cb 0.64 -2.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.42 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1g11 n GLU 38 N 6.33 0.01 -4.38 1.97 0.28 -1.26 -5.16 120.64 118.43 1g11 n GLU 38 Ca 0.46 -0.52 -0.25 0.00 -0.16 0.00 0.00 57.16 56.70 1g11 n GLU 38 Cb 0.32 -0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.10 1g11 n GLU 38 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1g11 s ILE 39 N 0.00 2.86 -0.28 3.84 1.01 -1.23 -4.87 121.20 122.52 1g11 s ILE 39 Ca 0.05 -2.08 -0.03 0.00 0.00 0.00 0.00 60.65 58.60 1g11 s ILE 39 Cb 0.08 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1g11 s ILE 39 CO -0.06 -0.30 -0.01 -0.89 0.00 0.00 0.00 174.94 173.68 1g11 s THR 40 N -2.19 3.10 -0.03 2.92 2.01 -1.07 -5.01 115.64 115.38 1g11 s THR 40 Ca 0.28 -1.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1g11 s THR 40 Cb -0.07 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1g11 s THR 40 CO 0.16 0.05 0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1g11 s VAL 41 N 1.32 5.42 -0.15 3.82 1.01 -1.26 -1.15 120.40 129.41 1g11 s VAL 41 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1g11 s VAL 41 Cb -0.18 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1g11 s VAL 41 CO -0.02 0.40 -0.03 -1.61 0.00 0.00 0.00 175.10 173.84 1g11 s GLU 42 N -1.70 1.16 -0.22 2.72 2.02 0.16 -5.00 118.70 117.84 1g11 s GLU 42 Ca 0.25 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.81 1g11 s GLU 42 Cb -0.13 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 1g11 s GLU 42 CO 0.15 -0.43 0.02 -0.51 0.02 0.00 0.00 175.26 174.51 1g11 s ASP 43 N 1.74 4.84 -0.11 -0.19 1.11 -1.26 -1.32 116.67 121.47 1g11 s ASP 43 Ca 0.01 -0.24 -0.12 0.00 0.18 0.00 0.00 52.55 52.38 1g11 s ASP 43 Cb -0.15 -1.85 -0.26 0.00 1.07 0.00 0.00 42.92 41.73 1g11 s ASP 43 CO -0.07 0.01 0.46 -0.09 1.18 0.00 0.00 175.17 176.65 1g11 h ARG 44 N 7.90 0.25 0.00 8.23 9.65 -1.94 -3.50 114.38 134.97 1g11 h ARG 44 Ca -0.38 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.08 1g11 h ARG 44 Cb 1.17 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 1g11 h ARG 44 CO 0.60 1.20 0.00 0.54 2.80 0.00 0.00 179.97 185.11 1g11 n ARG 45 N -3.77 0.00 -0.06 0.20 1.74 -1.26 -4.95 116.66 108.56 1g11 n ARG 45 Ca -0.29 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.67 1g11 n ARG 45 Cb 0.96 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 32.28 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g11 h ALA 46 N 0.00 -0.01 -1.83 7.54 0.00 -1.93 -3.47 119.26 119.57 1g11 h ALA 46 Ca 0.00 -0.43 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 1g11 h ALA 46 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1g11 h ALA 46 CO 0.00 -0.05 -0.40 0.71 0.00 0.00 0.00 179.25 179.52 1g11 s TYR 47 N -2.49 3.01 0.04 0.00 2.02 -1.26 -3.11 117.35 115.56 1g11 s TYR 47 Ca -0.17 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1g11 s TYR 47 Cb -0.02 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1g11 s TYR 47 CO 0.64 0.09 -0.08 0.08 -1.57 0.00 0.00 175.55 174.71 1g11 s VAL 48 N -2.24 0.60 0.05 0.71 1.01 -1.08 -2.93 120.40 116.52 1g11 s VAL 48 Ca 0.43 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1g11 s VAL 48 Cb -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1g11 s VAL 48 CO 0.29 -0.33 -0.04 0.00 0.00 0.00 0.00 175.10 175.02 1g11 s ARG 49 N -1.51 0.58 0.30 2.72 1.70 -0.43 -2.04 118.95 120.28 1g11 s ARG 49 Ca -0.08 -1.11 0.03 0.00 -0.47 0.00 0.00 55.73 54.10 1g11 s ARG 49 Cb -0.10 0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1g11 s ARG 49 CO 0.01 -0.08 0.05 0.42 -1.08 0.00 0.00 175.30 174.62 1g11 s ILE 50 N -3.37 1.08 -0.33 4.99 1.01 -1.05 -0.66 121.20 122.87 1g11 s ILE 50 Ca 0.03 -2.01 0.02 0.00 0.00 0.00 0.00 60.65 58.69 1g11 s ILE 50 Cb 0.04 -2.70 0.15 0.00 0.01 0.00 0.00 42.46 39.96 1g11 s ILE 50 CO -0.07 -0.05 0.38 0.00 0.00 0.00 0.00 174.94 175.20 1g11 s ALA 51 N -3.38 -0.74 0.55 9.38 0.00 -0.30 -3.71 121.76 123.55 1g11 s ALA 51 Ca 0.36 -0.46 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1g11 s ALA 51 Cb 0.08 -2.04 0.07 0.00 0.00 0.00 0.00 23.12 21.23 1g11 s ALA 51 CO 0.14 -1.95 0.70 0.00 0.00 0.00 0.00 175.76 174.65 1g11 s ALA 52 N 1.95 4.64 0.41 0.00 0.00 -1.05 -2.61 121.76 125.09 1g11 s ALA 52 Ca 0.13 -1.95 0.22 0.00 0.00 0.00 0.00 51.96 50.36 1g11 s ALA 52 Cb -0.14 -1.33 1.21 0.00 0.00 0.00 0.00 23.12 22.87 1g11 s ALA 52 CO -0.17 -0.74 2.01 1.49 0.00 0.00 0.00 175.76 178.35 1g11 h GLU 53 N 0.33 0.00 0.00 0.00 4.81 -1.90 -2.59 114.58 115.23 1g11 h GLU 53 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1g11 h GLU 53 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1g11 h GLU 53 CO 0.44 0.17 0.00 0.41 -0.73 0.00 0.00 179.01 179.31 1g11 n GLY 54 N -0.72 2.43 3.77 1.92 0.00 -1.26 -1.18 105.19 110.14 1g11 n GLY 54 Ca -0.02 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1g11 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g11 s GLU 55 N 0.00 4.16 0.10 1.61 -1.05 -1.26 -1.97 118.70 120.29 1g11 s GLU 55 Ca 0.00 0.45 -0.11 0.00 -0.15 0.00 0.00 54.97 55.17 1g11 s GLU 55 Cb 0.00 -3.33 0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1g11 s GLU 55 CO 0.00 0.42 0.25 -0.51 0.95 0.00 0.00 175.26 176.36 1g11 s LEU 56 N -0.22 1.15 -0.03 1.83 1.43 0.13 -4.95 118.68 118.02 1g11 s LEU 56 Ca 0.25 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1g11 s LEU 56 Cb -0.16 1.25 0.03 0.00 0.03 0.00 0.00 46.19 47.34 1g11 s LEU 56 CO 0.12 -0.76 0.05 0.27 0.23 0.00 0.00 176.35 176.26 1g11 s ILE 57 N -3.80 -0.06 -0.01 -0.59 -5.25 -1.26 -1.68 121.20 108.55 1g11 s ILE 57 Ca 0.04 0.23 0.04 0.00 -0.99 0.00 0.00 60.65 59.97 1g11 s ILE 57 Cb 0.04 -0.10 -0.01 0.00 2.95 0.00 0.00 42.46 45.33 1g11 s ILE 57 CO -0.11 0.09 -0.13 -0.76 -1.79 0.00 0.00 174.94 172.24 1g11 s LEU 58 N 1.15 2.04 0.00 0.37 1.43 -0.18 -4.53 118.68 118.96 1g11 s LEU 58 Ca -0.08 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1g11 s LEU 58 Cb -0.13 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1g11 s LEU 58 CO -0.03 0.15 0.63 0.35 0.23 0.00 0.00 176.35 177.68 1g11 n THR 59 N 2.67 0.38 -0.96 5.49 -2.24 -1.26 -1.18 114.28 117.18 1g11 n THR 59 Ca -0.14 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1g11 n THR 59 Cb 0.55 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1g11 n THR 59 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g11 n ARG 60 N -0.19 1.80 0.34 -0.78 5.12 -1.26 -4.44 116.66 117.25 1g11 n ARG 60 Ca 0.00 -1.21 0.23 0.00 -1.93 0.00 0.00 57.85 54.94 1g11 n ARG 60 Cb 0.31 -1.69 1.22 0.00 -1.16 0.00 0.00 32.46 31.14 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1g11 h LYS 61 N 2.12 0.00 -0.03 5.56 -0.00 -1.87 -1.21 116.57 121.13 1g11 h LYS 61 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.84 1g11 h LYS 61 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1g11 h LYS 61 CO 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 179.45 179.84 1g11 h THR 62 N 0.00 1.44 -0.53 0.07 1.03 -1.91 0.27 112.91 113.29 1g11 h THR 62 Ca 0.00 -1.41 -0.01 0.00 -0.01 0.00 0.00 66.41 64.98 1g11 h THR 62 Cb 0.01 2.32 -0.02 0.00 -1.07 0.00 0.00 68.15 69.38 1g11 h THR 62 CO -0.00 0.38 0.30 0.25 -0.01 0.00 0.00 175.52 176.44 1g11 h LEU 63 N -0.44 0.65 -0.91 0.00 6.46 -1.62 0.49 115.31 119.93 1g11 h LEU 63 Ca 0.00 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 1g11 h LEU 63 Cb 0.65 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1g11 h LEU 63 CO 0.01 0.55 -0.37 -0.33 -0.62 0.00 0.00 178.44 177.68 1g11 h GLU 64 N 0.70 0.33 -0.28 1.25 4.39 -1.40 -1.53 114.58 118.04 1g11 h GLU 64 Ca 0.19 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 1g11 h GLU 64 Cb 0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1g11 h GLU 64 CO -0.03 0.66 -0.50 0.93 -1.16 0.00 0.00 179.01 178.91 1g11 h GLU 65 N 0.28 0.83 0.03 2.33 5.08 0.26 -3.24 114.58 120.15 1g11 h GLU 65 Ca 0.03 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1g11 h GLU 65 Cb 0.79 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1g11 h GLU 65 CO 0.06 1.15 -0.02 1.96 -1.00 0.00 0.00 179.01 181.17 1g11 h GLN 66 N 0.60 -0.04 -1.34 2.33 4.20 0.12 1.40 115.11 122.38 1g11 h GLN 66 Ca 0.02 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.12 1g11 h GLN 66 Cb 1.10 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.84 1g11 h GLN 66 CO 0.11 0.15 1.15 -0.07 -0.67 0.00 0.00 178.83 179.50 1g11 h LEU 67 N -0.23 0.00 -5.13 1.46 3.38 -1.31 -2.64 115.31 110.84 1g11 h LEU 67 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1g11 h LEU 67 Cb 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.79 1g11 h LEU 67 CO 0.01 0.00 -0.55 0.61 0.09 0.00 0.00 178.44 178.59 1g11 n GLY 68 N -1.78 0.66 0.27 0.83 0.00 -0.80 -4.99 105.19 99.38 1g11 n GLY 68 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1g11 n GLY 68 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g11 h ARG 69 N 3.54 0.57 -3.47 1.61 3.08 0.23 -2.99 114.38 116.94 1g11 h ARG 69 Ca -0.10 -0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.38 1g11 h ARG 69 Cb 1.04 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.99 1g11 h ARG 69 CO 0.27 0.37 3.03 -0.35 -1.07 0.00 0.00 179.97 182.22 1g11 n PRO 70 N -4.88 2.61 -2.30 0.04 -0.04 -1.26 -4.75 135.00 124.42 1g11 n PRO 70 Ca 0.12 -1.85 -0.04 0.00 -0.04 0.00 0.00 63.50 61.69 1g11 n PRO 70 Cb 0.31 -2.69 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 1g11 n PRO 70 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1g11 n PHE 71 N 4.56 -1.64 -3.47 0.54 -1.74 -1.13 -5.11 117.46 109.47 1g11 n PHE 71 Ca 0.57 -0.87 0.00 0.00 -0.56 0.00 0.00 57.45 56.59 1g11 n PHE 71 Cb 0.22 0.43 0.00 0.00 1.52 0.00 0.00 39.48 41.65 1g11 n PHE 71 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1g11 n ASN 72 N -1.25 0.00 0.00 5.98 4.05 -1.26 -5.00 115.26 117.78 1g11 n ASN 72 Ca -0.04 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 54.05 1g11 n ASN 72 Cb 0.28 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.29 1g11 n ASN 72 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 177.26 175.36 1g11 n MET 73 N 0.00 0.00 -0.31 1.20 0.00 -1.26 0.18 117.12 116.94 1g11 n MET 73 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 57.70 58.66 1g11 n MET 73 Cb 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 31.79 1g11 n MET 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1g11 n GLN 74 N -2.90 -0.14 -0.22 3.17 7.27 -1.26 0.23 117.38 123.53 1g11 n GLN 74 Ca 0.00 1.26 -0.08 0.00 0.07 0.00 0.00 57.00 58.25 1g11 n GLN 74 Cb 0.00 -1.88 0.03 0.00 2.41 0.00 0.00 30.24 30.80 1g11 n GLN 74 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1g11 h GLU 75 N 0.00 1.01 -0.18 3.69 5.08 -1.37 -1.79 114.58 121.02 1g11 h GLU 75 Ca 0.33 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1g11 h GLU 75 Cb 0.53 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1g11 h GLU 75 CO -0.82 0.93 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.85 1g11 h LEU 76 N 0.92 -0.63 -0.87 1.33 4.07 1.39 1.79 115.31 123.31 1g11 h LEU 76 Ca 0.19 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1g11 h LEU 76 Cb 0.39 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1g11 h LEU 76 CO 0.01 -0.24 0.00 -0.62 -1.08 0.00 0.00 178.44 176.50 1g11 n GLU 77 N -5.34 0.17 -0.07 1.13 1.02 0.77 -3.01 120.64 115.31 1g11 n GLU 77 Ca -0.02 0.48 -0.06 0.00 -0.02 0.00 0.00 57.16 57.54 1g11 n GLU 77 Cb 0.26 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1g11 n GLU 77 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1g11 h ILE 78 N 0.00 0.14 -0.34 -3.67 1.08 0.76 -3.41 117.51 112.07 1g11 h ILE 78 Ca 0.00 -1.17 -0.43 0.00 -0.39 0.00 0.00 64.86 62.87 1g11 h ILE 78 Cb 0.26 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1g11 h ILE 78 CO 0.00 0.05 1.44 0.59 -0.69 0.00 0.00 178.15 179.54 1g11 n ASN 79 N -4.62 2.96 -3.68 1.72 3.02 0.56 -4.75 115.26 110.47 1g11 n ASN 79 Ca -0.09 -2.70 -0.06 0.00 -0.03 0.00 0.00 54.58 51.70 1g11 n ASN 79 Cb 0.28 -1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.87 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1g11 s LEU 80 N 8.10 -0.28 0.00 3.41 2.34 -1.26 -4.86 118.68 126.13 1g11 s LEU 80 Ca 0.65 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.53 1g11 s LEU 80 Cb 0.04 2.30 0.00 0.00 -0.56 0.00 0.00 46.19 47.97 1g11 s LEU 80 CO 0.13 -0.95 0.00 0.00 -1.06 0.00 0.00 176.35 174.48 1g11 n ALA 81 N -0.41 1.81 -3.00 1.48 0.00 -0.96 -4.81 120.51 114.62 1g11 n ALA 81 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1g11 n ALA 81 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1g11 n ALA 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g11 n SER 82 N -2.08 0.00 -3.15 0.00 7.64 -0.97 -4.99 113.62 110.07 1g11 n SER 82 Ca 0.00 -0.88 0.06 0.00 1.01 0.00 0.00 58.87 59.05 1g11 n SER 82 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1g11 n SER 82 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1g11 s PHE 83 N -4.49 -0.13 0.00 1.43 2.19 -1.26 -2.38 117.98 113.34 1g11 s PHE 83 Ca 0.00 0.11 0.00 0.00 0.33 0.00 0.00 56.93 57.37 1g11 s PHE 83 Cb 0.00 0.04 0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1g11 s PHE 83 CO 0.00 -0.07 0.68 0.00 1.83 0.00 0.00 175.22 177.66 1g11 n ALA 84 N 5.35 -0.12 -1.00 11.12 0.00 -1.06 -4.75 120.51 130.05 1g11 n ALA 84 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1g11 n ALA 84 Cb 0.56 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1g11 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g11 n GLY 85 N -0.79 -2.61 3.99 0.00 0.00 -1.26 -4.95 105.19 99.58 1g11 n GLY 85 Ca 0.00 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 1g11 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g11 s GLN 86 N -2.12 2.09 0.03 1.61 -0.21 -0.51 -4.94 119.66 115.61 1g11 s GLN 86 Ca 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 55.36 54.32 1g11 s GLN 86 Cb 0.00 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1g11 s GLN 86 CO 0.00 -1.08 -0.07 0.96 -2.12 0.00 0.00 175.29 172.97 1g11 s ILE 87 N -2.92 0.51 0.06 1.08 -4.36 -1.26 -2.68 121.20 111.62 1g11 s ILE 87 Ca 0.62 -0.86 -0.03 0.00 -0.26 0.00 0.00 60.65 60.12 1g11 s ILE 87 Cb -0.07 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 43.06 1g11 s ILE 87 CO 0.41 -0.25 0.03 -1.10 0.24 0.00 0.00 174.94 174.27 1g11 s GLN 88 N -1.20 0.67 -0.13 0.37 -1.52 0.12 -4.98 119.66 112.98 1g11 s GLN 88 Ca -0.07 -1.15 -0.13 0.00 -1.95 0.00 0.00 55.36 52.06 1g11 s GLN 88 Cb -0.08 0.24 0.03 0.00 -0.22 0.00 0.00 33.01 32.99 1g11 s GLN 88 CO 0.00 -0.15 0.36 0.00 -0.25 0.00 0.00 175.29 175.25 1g11 s ALA 89 N -3.89 -0.88 0.00 6.09 0.00 -1.26 0.01 121.76 121.83 1g11 s ALA 89 Ca 0.06 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1g11 s ALA 89 Cb 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1g11 s ALA 89 CO -0.10 -0.17 0.00 -3.47 0.00 0.00 0.00 175.76 172.01 1g11 n ASP 90 N 2.81 0.90 -0.21 0.00 2.03 0.59 -4.93 116.55 117.73 1g11 n ASP 90 Ca -0.13 -0.88 -0.05 0.00 0.52 0.00 0.00 54.79 54.24 1g11 n ASP 90 Cb 0.57 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1g11 n GLU 91 N -0.49 -0.21 -3.00 -0.67 0.28 -1.26 -2.89 120.64 112.40 1g11 n GLU 91 Ca 0.00 0.77 -0.15 0.00 -0.16 0.00 0.00 57.16 57.63 1g11 n GLU 91 Cb 0.00 -1.14 0.02 0.00 1.43 0.00 0.00 31.44 31.75 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1g11 n ASP 92 N -4.65 -0.54 -3.55 -1.84 9.92 -1.26 -5.11 116.55 109.51 1g11 n ASP 92 Ca 0.01 -3.26 -0.10 0.00 -0.53 0.00 0.00 54.79 50.91 1g11 n ASP 92 Cb 0.14 0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 41.03 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g11 s GLN 93 N -1.22 1.35 -0.06 -1.24 -2.07 -1.14 -4.50 119.66 110.77 1g11 s GLN 93 Ca 0.33 -0.59 -0.02 0.00 -1.82 0.00 0.00 55.36 53.26 1g11 s GLN 93 Cb 0.31 0.56 0.03 0.00 -1.09 0.00 0.00 33.01 32.82 1g11 s GLN 93 CO -0.08 -0.60 0.03 -1.50 -1.32 0.00 0.00 175.29 171.82 1g11 s ILE 94 N -3.70 0.18 -0.01 3.63 2.07 -0.32 -0.30 121.20 122.75 1g11 s ILE 94 Ca 0.04 0.22 0.06 0.00 -1.41 0.00 0.00 60.65 59.57 1g11 s ILE 94 Cb -0.02 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1g11 s ILE 94 CO -0.07 0.20 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.83 1g11 s ARG 95 N 2.05 1.60 0.22 3.50 3.00 0.10 -1.01 118.95 128.41 1g11 s ARG 95 Ca 0.05 -0.75 0.07 0.00 0.00 0.00 0.00 55.73 55.10 1g11 s ARG 95 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 34.95 33.23 1g11 s ARG 95 CO -0.05 0.43 0.13 -0.06 0.00 0.00 0.00 175.30 175.75 1g11 s PHE 96 N -0.51 3.03 -0.29 -0.53 0.08 -0.67 0.11 117.98 119.20 1g11 s PHE 96 Ca 0.08 -0.10 -0.14 0.00 0.12 0.00 0.00 56.93 56.88 1g11 s PHE 96 Cb -0.08 -1.41 0.14 0.00 -0.57 0.00 0.00 43.02 41.10 1g11 s PHE 96 CO -0.00 0.53 0.86 1.52 -0.10 0.00 0.00 175.22 178.03 1g11 s TYR 97 N -1.99 -0.85 -0.95 0.36 -0.85 -1.09 0.22 117.35 112.19 1g11 s TYR 97 Ca 0.31 1.57 0.27 0.00 -0.52 0.00 0.00 57.07 58.71 1g11 s TYR 97 Cb -0.09 0.51 1.11 0.00 0.38 0.00 0.00 41.96 43.87 1g11 s TYR 97 CO 0.23 -0.42 1.85 0.34 -1.52 0.00 0.00 175.55 176.03 1g11 n PHE 98 N 4.58 0.15 -1.73 -3.49 -0.00 -0.83 -1.42 117.46 114.72 1g11 n PHE 98 Ca -0.14 0.04 -0.41 0.00 -0.00 0.00 0.00 57.45 56.94 1g11 n PHE 98 Cb 0.54 -0.57 0.00 0.00 -0.00 0.00 0.00 39.48 39.46 1g11 n PHE 98 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1g11 n ASP 99 N -1.62 3.08 0.00 -2.13 8.00 -1.26 -4.58 116.55 118.04 1g11 n ASP 99 Ca 0.06 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1g11 n ASP 99 Cb 0.33 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1g11 n ASP 99 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1g11 n LYS 100 N 0.29 0.00 -0.07 -1.24 4.01 -1.26 -4.42 118.16 115.47 1g11 n LYS 100 Ca 0.04 0.00 0.26 0.00 -0.51 0.00 0.00 58.31 58.10 1g11 n LYS 100 Cb 0.38 -0.05 0.69 0.00 -0.51 0.00 0.00 35.03 35.55 1g11 n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1g11 h THR 101 N 0.00 0.34 -0.01 -0.18 1.03 -2.02 -3.52 112.91 108.55 1g11 h THR 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1g11 h THR 101 Cb 0.00 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 67.56 1g11 h THR 101 CO 0.00 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.74