#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g11 s THR 2 N 0.00 0.18 0.36 0.44 -1.32 -1.26 -5.17 115.64 108.88 1g11 s THR 2 Ca 0.00 -0.87 0.03 0.00 -1.21 0.00 0.00 61.69 59.65 1g11 s THR 2 Cb 0.00 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 1g11 s THR 2 CO 0.00 -0.44 0.11 -0.76 -2.21 0.00 0.00 174.62 171.32 1g11 s LEU 3 N -1.36 1.98 -0.04 9.08 1.43 -1.26 -5.17 118.68 123.34 1g11 s LEU 3 Ca -0.14 -1.54 -0.30 0.00 -1.03 0.00 0.00 54.13 51.12 1g11 s LEU 3 Cb -0.09 -0.14 0.11 0.00 0.03 0.00 0.00 46.19 46.09 1g11 s LEU 3 CO -0.01 -0.81 1.02 0.00 0.23 0.00 0.00 176.35 176.79 1g11 s ALA 4 N -3.34 -1.91 0.13 4.21 0.00 -1.26 -5.18 121.76 114.41 1g11 s ALA 4 Ca 0.30 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1g11 s ALA 4 Cb 0.05 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1g11 s ALA 4 CO 0.15 -0.74 -0.09 0.34 0.00 0.00 0.00 175.76 175.41 1g11 s ASP 5 N -2.50 1.58 0.03 0.00 2.15 -1.26 -5.16 116.67 111.51 1g11 s ASP 5 Ca 0.08 -0.97 -0.13 0.00 0.43 0.00 0.00 52.55 51.96 1g11 s ASP 5 Cb -0.01 0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.65 1g11 s ASP 5 CO -0.06 -0.35 0.27 0.00 -0.17 0.00 0.00 175.17 174.87 1g11 s GLN 6 N -3.59 0.75 -0.31 4.34 0.00 -1.26 -5.06 119.66 114.52 1g11 s GLN 6 Ca 0.13 -0.48 0.18 0.00 -0.00 0.00 0.00 55.36 55.19 1g11 s GLN 6 Cb 0.02 0.32 0.46 0.00 0.00 0.00 0.00 33.01 33.81 1g11 s GLN 6 CO -0.01 -0.23 1.19 0.00 0.00 0.00 0.00 175.29 176.24 1g11 n ALA 7 N 0.74 2.69 -2.66 2.60 0.00 -1.26 -5.03 120.51 117.58 1g11 n ALA 7 Ca -0.19 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.51 1g11 n ALA 7 Cb 0.59 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 1g11 n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g11 s LEU 8 N -3.58 4.03 0.01 0.00 1.43 -1.26 -4.84 118.68 114.47 1g11 s LEU 8 Ca 0.23 -2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 50.84 1g11 s LEU 8 Cb 0.40 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 44.19 1g11 s LEU 8 CO -0.04 -1.20 1.24 -2.28 0.23 0.00 0.00 176.35 174.31 1g11 s HIS 9 N 3.92 -0.02 0.35 0.29 2.46 -1.26 -4.98 115.29 116.05 1g11 s HIS 9 Ca 0.48 -0.12 -0.26 0.00 0.47 0.00 0.00 55.06 55.62 1g11 s HIS 9 Cb 0.01 0.57 -0.09 0.00 -0.13 0.00 0.00 32.58 32.94 1g11 s HIS 9 CO 0.00 -0.37 1.09 0.54 -2.47 0.00 0.00 174.74 173.53 1g11 s ASN 10 N -3.22 6.91 0.00 9.88 4.22 -1.26 -4.49 114.94 126.97 1g11 s ASN 10 Ca 0.19 2.18 0.00 0.00 -2.14 0.00 0.00 52.86 53.09 1g11 s ASN 10 Cb 0.02 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1g11 s ASN 10 CO -0.02 -0.39 0.00 0.59 -2.04 0.00 0.00 177.10 175.24 1g11 n ASN 11 N 0.44 0.00 -3.64 3.54 4.13 -1.17 -4.98 115.26 113.58 1g11 n ASN 11 Ca 0.03 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.23 1g11 n ASN 11 Cb 0.47 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.65 1g11 n ASN 11 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1g11 s ASN 12 N -1.88 -0.91 -0.13 6.41 -0.87 -0.01 -4.45 114.94 113.09 1g11 s ASN 12 Ca 0.00 1.43 -0.06 0.00 -1.57 0.00 0.00 52.86 52.66 1g11 s ASN 12 Cb 0.00 1.48 -0.04 0.00 -0.02 0.00 0.00 41.25 42.67 1g11 s ASN 12 CO 0.00 -0.22 0.09 0.68 -2.57 0.00 0.00 177.10 175.08 1g11 s VAL 13 N 1.76 5.10 -0.68 1.60 -7.23 -0.87 -4.82 120.40 115.27 1g11 s VAL 13 Ca -0.09 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1g11 s VAL 13 Cb -0.06 -3.23 0.19 0.00 0.56 0.00 0.00 36.38 33.84 1g11 s VAL 13 CO -0.19 0.57 0.56 0.61 -0.31 0.00 0.00 175.10 176.34 1g11 n GLY 14 N 2.47 4.16 3.67 2.32 0.00 -1.26 -2.17 105.19 114.38 1g11 n GLY 14 Ca -0.19 -2.59 -0.43 0.00 0.00 0.00 0.00 46.02 42.82 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 -1.69 4.28 -0.14 1.61 0.04 -1.24 -3.39 135.00 134.46 1g11 s PRO 15 Ca 0.29 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1g11 s PRO 15 Cb 0.02 -3.68 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 1g11 s PRO 15 CO -0.13 -0.60 -0.16 0.42 0.04 0.00 0.00 177.00 176.57 1g11 s ILE 16 N 2.94 2.60 0.01 0.56 -1.09 0.12 -2.34 121.20 124.00 1g11 s ILE 16 Ca 0.56 -0.80 -0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1g11 s ILE 16 Cb -0.24 -2.08 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1g11 s ILE 16 CO 0.19 0.52 0.11 0.27 -1.23 0.00 0.00 174.94 174.80 1g11 s ILE 17 N 0.71 0.09 1.04 2.92 -4.36 -0.55 -0.80 121.20 120.26 1g11 s ILE 17 Ca -0.07 -0.78 -0.16 0.00 -0.26 0.00 0.00 60.65 59.38 1g11 s ILE 17 Cb -0.16 -0.47 0.08 0.00 1.25 0.00 0.00 42.46 43.16 1g11 s ILE 17 CO 0.01 -0.43 0.21 -2.11 0.24 0.00 0.00 174.94 172.87 1g11 n ARG 18 N 1.37 -1.03 -3.89 0.37 1.85 -1.26 0.38 116.66 114.46 1g11 n ARG 18 Ca -0.22 -0.27 -0.22 0.00 -1.00 0.00 0.00 57.85 56.14 1g11 n ARG 18 Cb 0.56 -1.78 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g11 s ALA 19 N -2.31 3.74 0.00 2.89 0.00 -0.43 -4.14 121.76 121.51 1g11 s ALA 19 Ca 0.57 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1g11 s ALA 19 Cb -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1g11 s ALA 19 CO 0.67 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1g11 n GLY 20 N -1.31 -0.69 3.63 0.00 0.00 -1.26 -4.94 105.19 100.61 1g11 n GLY 20 Ca -0.02 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 1g11 n GLY 20 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g11 s ASP 21 N 1.65 -0.06 -0.91 1.61 1.47 -1.26 -4.95 116.67 114.21 1g11 s ASP 21 Ca 0.00 0.04 0.00 0.00 1.18 0.00 0.00 52.55 53.77 1g11 s ASP 21 Cb 0.00 0.06 0.00 0.00 -0.34 0.00 0.00 42.92 42.64 1g11 s ASP 21 CO 0.00 -0.08 0.00 0.18 0.68 0.00 0.00 175.17 175.95 1g11 n LEU 22 N 0.24 -0.42 0.06 2.11 4.32 -1.26 -4.83 117.00 117.22 1g11 n LEU 22 Ca 0.01 0.21 0.13 0.00 -0.02 0.00 0.00 56.01 56.35 1g11 n LEU 22 Cb 0.58 -1.87 0.46 0.00 -1.62 0.00 0.00 43.42 40.96 1g11 n LEU 22 CO 0.08 -0.65 0.85 0.52 -1.22 0.00 0.00 177.39 176.97 1g11 n VAL 23 N -2.55 0.32 0.08 4.08 0.31 -1.26 -2.17 118.33 117.14 1g11 n VAL 23 Ca -0.09 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.00 1g11 n VAL 23 Cb 0.38 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 1g11 n VAL 23 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g11 h GLU 24 N 0.00 -0.29 0.00 5.55 4.39 -1.99 -0.45 114.58 121.80 1g11 h GLU 24 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1g11 h GLU 24 Cb 0.64 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1g11 h GLU 24 CO 0.00 -0.03 0.00 -1.00 -1.16 0.00 0.00 179.01 176.82 1g11 h PRO 25 N -1.01 0.00 0.17 2.33 0.13 -1.98 -2.21 132.00 129.43 1g11 h PRO 25 Ca -0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.81 1g11 h PRO 25 Cb 0.40 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.54 1g11 h PRO 25 CO 0.05 0.00 -1.42 0.28 -0.23 0.00 0.00 178.00 176.68 1g11 h VAL 26 N 0.00 1.14 -0.41 1.56 2.07 -1.50 -2.83 116.25 116.28 1g11 h VAL 26 Ca 0.00 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 64.90 1g11 h VAL 26 Cb 0.58 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1g11 h VAL 26 CO 0.00 0.77 -0.18 -0.29 0.02 0.00 0.00 177.57 177.90 1g11 h ILE 27 N -0.11 1.27 -0.62 4.57 6.09 -0.98 0.46 117.51 128.18 1g11 h ILE 27 Ca -0.28 -1.27 -0.08 0.00 -1.37 0.00 0.00 64.86 61.86 1g11 h ILE 27 Cb 1.92 1.14 -0.02 0.00 0.47 0.00 0.00 36.82 40.32 1g11 h ILE 27 CO 0.15 0.43 0.06 -0.08 -3.07 0.00 0.00 178.15 175.64 1g11 h GLU 28 N 0.69 1.05 0.00 2.19 4.22 -1.50 0.27 114.58 121.49 1g11 h GLU 28 Ca 0.10 -0.29 -0.12 0.00 0.08 0.00 0.00 59.36 59.13 1g11 h GLU 28 Cb 0.67 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1g11 h GLU 28 CO 0.05 0.98 -0.59 1.15 -2.18 0.00 0.00 179.01 178.42 1g11 h THR 29 N 0.97 1.04 0.00 0.32 2.02 -1.22 -2.24 112.91 113.80 1g11 h THR 29 Ca 0.19 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1g11 h THR 29 Cb 0.47 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1g11 h THR 29 CO 0.02 0.58 -0.19 0.00 0.37 0.00 0.00 175.52 176.29 1g11 h ALA 30 N 1.41 0.88 0.09 6.16 0.00 0.32 -2.76 119.26 125.36 1g11 h ALA 30 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1g11 h ALA 30 Cb 1.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1g11 h ALA 30 CO 0.08 0.00 -1.84 0.93 0.00 0.00 0.00 179.25 178.42 1g11 h GLU 31 N 0.00 0.19 -0.04 0.00 4.39 -0.37 -3.35 114.58 115.41 1g11 h GLU 31 Ca 0.00 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.24 1g11 h GLU 31 Cb 0.83 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1g11 h GLU 31 CO 0.00 1.00 -0.54 -0.84 -1.16 0.00 0.00 179.01 177.47 1g11 h ILE 32 N 0.05 1.38 -0.10 3.13 -0.00 -1.45 -2.47 117.51 118.05 1g11 h ILE 32 Ca -0.35 -1.85 0.03 0.00 -0.00 0.00 0.00 64.86 62.68 1g11 h ILE 32 Cb 2.03 1.95 -0.00 0.00 -0.00 0.00 0.00 36.82 40.80 1g11 h ILE 32 CO 0.10 0.54 0.09 -0.78 -0.00 0.00 0.00 178.15 178.10 1g11 h ASP 33 N 0.09 0.00 -3.89 2.16 3.58 -1.61 -3.41 116.42 113.34 1g11 h ASP 33 Ca -0.00 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 1g11 h ASP 33 Cb 0.99 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.83 1g11 h ASP 33 CO 0.08 0.00 -0.80 0.21 -2.88 0.00 0.00 179.24 175.85 1g11 s ASN 34 N -6.26 3.88 -0.69 2.28 2.47 -0.93 -4.88 114.94 110.80 1g11 s ASN 34 Ca -0.05 -0.44 -0.06 0.00 0.42 0.00 0.00 52.86 52.73 1g11 s ASN 34 Cb 0.16 -0.63 -0.13 0.00 -1.45 0.00 0.00 41.25 39.20 1g11 s ASN 34 CO 0.59 0.24 2.65 -0.81 -3.72 0.00 0.00 177.10 176.05 1g11 n PRO 35 N 1.37 2.24 -2.39 0.43 -0.04 -1.26 -4.67 135.00 130.68 1g11 n PRO 35 Ca -0.16 -1.33 -0.41 0.00 -0.04 0.00 0.00 63.50 61.56 1g11 n PRO 35 Cb 0.52 -2.29 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 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 3.22 5.61 2.03 0.55 0.00 -1.26 -4.78 105.19 110.55 1g11 n GLY 36 Ca 0.48 -2.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 1g11 n GLY 36 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1g11 n LYS 37 N 1.03 1.89 0.00 1.61 2.85 -1.26 -3.63 118.16 120.65 1g11 n LYS 37 Ca 0.51 -1.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.45 1g11 n LYS 37 Cb 0.27 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1g11 n GLU 38 N 1.41 0.00 -4.33 -1.58 0.28 -1.26 -5.16 120.64 110.00 1g11 n GLU 38 Ca 0.34 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 57.17 1g11 n GLU 38 Cb 0.67 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.44 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 1.20 0.01 3.84 1.09 -1.24 -4.72 121.20 121.39 1g11 s ILE 39 Ca 0.00 -2.07 0.03 0.00 -1.10 0.00 0.00 60.65 57.52 1g11 s ILE 39 Cb 0.00 -2.23 -0.01 0.00 -1.06 0.00 0.00 42.46 39.16 1g11 s ILE 39 CO 0.00 -0.43 -0.10 -0.89 -0.10 0.00 0.00 174.94 173.42 1g11 s THR 40 N -3.31 0.78 0.31 2.92 2.01 -1.07 -5.04 115.64 112.24 1g11 s THR 40 Ca 0.26 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.69 1g11 s THR 40 Cb 0.04 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1g11 s THR 40 CO 0.07 0.05 0.09 -0.69 -0.69 0.00 0.00 174.62 173.45 1g11 s VAL 41 N -0.56 3.18 -0.43 3.82 1.01 -1.26 -0.03 120.40 126.13 1g11 s VAL 41 Ca 0.01 -1.77 0.07 0.00 0.00 0.00 0.00 61.98 60.29 1g11 s VAL 41 Cb -0.06 -2.94 0.24 0.00 0.00 0.00 0.00 36.38 33.62 1g11 s VAL 41 CO 0.00 -0.25 0.64 -0.62 0.00 0.00 0.00 175.10 174.87 1g11 n GLU 42 N -1.06 0.70 -3.16 2.72 1.02 0.14 -4.93 120.64 116.08 1g11 n GLU 42 Ca -0.04 -2.68 -0.43 0.00 -0.02 0.00 0.00 57.16 53.98 1g11 n GLU 42 Cb 0.60 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.63 1g11 n GLU 42 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g11 s ASP 43 N -1.24 6.28 -0.12 1.62 1.11 -1.26 -2.63 116.67 120.44 1g11 s ASP 43 Ca 0.34 -0.52 -0.09 0.00 0.18 0.00 0.00 52.55 52.46 1g11 s ASP 43 Cb 0.18 -2.30 -0.07 0.00 1.07 0.00 0.00 42.92 41.80 1g11 s ASP 43 CO -0.16 -0.77 0.17 -0.09 1.18 0.00 0.00 175.17 175.50 1g11 h ARG 44 N 8.88 0.00 0.00 8.23 9.65 -1.93 -3.50 114.38 135.71 1g11 h ARG 44 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1g11 h ARG 44 Cb 1.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1g11 h ARG 44 CO 0.89 0.27 0.00 0.54 2.80 0.00 0.00 179.97 184.47 1g11 n ARG 45 N -4.71 0.00 0.04 0.20 5.12 -1.26 -4.96 116.66 111.09 1g11 n ARG 45 Ca -0.04 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.68 1g11 n ARG 45 Cb 0.16 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.35 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1g11 h ALA 46 N 0.00 0.06 -2.10 7.54 0.00 -1.95 -3.43 119.26 119.37 1g11 h ALA 46 Ca 0.00 -0.67 -0.44 0.00 0.00 0.00 0.00 54.91 53.80 1g11 h ALA 46 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1g11 h ALA 46 CO 0.00 0.53 -0.64 0.71 0.00 0.00 0.00 179.25 179.86 1g11 s TYR 47 N -3.13 1.83 -0.18 0.00 2.02 -1.26 -1.31 117.35 115.32 1g11 s TYR 47 Ca -0.11 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.69 1g11 s TYR 47 Cb 0.05 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1g11 s TYR 47 CO 0.88 0.04 -0.13 0.08 -1.57 0.00 0.00 175.55 174.85 1g11 s VAL 48 N -3.29 1.67 0.11 0.71 1.01 0.16 -3.17 120.40 117.61 1g11 s VAL 48 Ca 0.33 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1g11 s VAL 48 Cb 0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1g11 s VAL 48 CO 0.13 0.33 -0.26 -0.60 0.00 0.00 0.00 175.10 174.69 1g11 s ARG 49 N 1.41 1.49 0.24 2.72 3.52 -1.08 -1.48 118.95 125.77 1g11 s ARG 49 Ca 0.02 -1.30 0.01 0.00 -0.13 0.00 0.00 55.73 54.34 1g11 s ARG 49 Cb -0.15 -1.93 -0.05 0.00 -1.56 0.00 0.00 34.95 31.27 1g11 s ARG 49 CO -0.10 0.46 0.07 0.42 -0.81 0.00 0.00 175.30 175.35 1g11 s ILE 50 N -1.02 0.60 -0.42 4.11 1.01 -0.99 0.23 121.20 124.72 1g11 s ILE 50 Ca 0.14 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1g11 s ILE 50 Cb -0.10 -2.51 0.17 0.00 0.01 0.00 0.00 42.46 40.03 1g11 s ILE 50 CO 0.05 -0.12 0.42 0.00 0.00 0.00 0.00 174.94 175.29 1g11 s ALA 51 N -3.72 0.37 0.82 9.38 0.00 0.95 -3.60 121.76 125.95 1g11 s ALA 51 Ca 0.34 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.47 1g11 s ALA 51 Cb 0.07 -1.89 0.16 0.00 0.00 0.00 0.00 23.12 21.46 1g11 s ALA 51 CO 0.11 -2.06 1.12 0.00 0.00 0.00 0.00 175.76 174.93 1g11 s ALA 52 N 0.50 3.21 -0.00 0.00 0.00 -0.92 -2.61 121.76 121.93 1g11 s ALA 52 Ca 0.29 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 1g11 s ALA 52 Cb -0.02 -2.23 -0.16 0.00 0.00 0.00 0.00 23.12 20.71 1g11 s ALA 52 CO -0.13 -1.86 1.16 1.49 0.00 0.00 0.00 175.76 176.43 1g11 h GLU 53 N -0.95 -0.35 0.00 0.00 4.81 -1.84 -2.31 114.58 113.94 1g11 h GLU 53 Ca -0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1g11 h GLU 53 Cb 1.25 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1g11 h GLU 53 CO 0.37 -0.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.06 1g11 n GLY 54 N -0.12 0.93 3.32 1.92 0.00 -1.26 -0.83 105.19 109.15 1g11 n GLY 54 Ca -0.09 0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1g11 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g11 s GLU 55 N 0.00 3.23 0.27 1.61 2.12 -1.26 -1.66 118.70 123.01 1g11 s GLU 55 Ca 0.00 -1.96 0.06 0.00 0.36 0.00 0.00 54.97 53.42 1g11 s GLU 55 Cb 0.00 -4.36 -0.06 0.00 0.26 0.00 0.00 34.13 29.98 1g11 s GLU 55 CO 0.00 -1.34 -0.05 -0.51 -0.54 0.00 0.00 175.26 172.82 1g11 s LEU 56 N 1.16 2.43 -0.17 2.70 2.01 -0.35 -5.04 118.68 121.41 1g11 s LEU 56 Ca 0.10 -1.19 -0.05 0.00 0.01 0.00 0.00 54.13 53.00 1g11 s LEU 56 Cb -0.22 -0.56 0.09 0.00 0.01 0.00 0.00 46.19 45.51 1g11 s LEU 56 CO -0.01 -0.37 0.31 0.27 1.01 0.00 0.00 176.35 177.55 1g11 s ILE 57 N -3.10 -0.49 -0.06 -0.59 -5.25 -1.26 -2.15 121.20 108.31 1g11 s ILE 57 Ca 0.29 0.14 0.01 0.00 -0.99 0.00 0.00 60.65 60.09 1g11 s ILE 57 Cb 0.04 -0.59 -0.03 0.00 2.95 0.00 0.00 42.46 44.83 1g11 s ILE 57 CO 0.11 0.02 -0.05 -0.76 -1.79 0.00 0.00 174.94 172.47 1g11 s LEU 58 N 2.47 3.27 -0.03 0.37 1.43 0.63 -4.53 118.68 122.29 1g11 s LEU 58 Ca 0.03 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1g11 s LEU 58 Cb -0.13 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1g11 s LEU 58 CO -0.11 0.35 0.90 0.35 0.23 0.00 0.00 176.35 178.06 1g11 n THR 59 N 2.05 0.71 -0.20 5.49 -2.24 -1.26 -0.59 114.28 118.25 1g11 n THR 59 Ca -0.17 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.70 1g11 n THR 59 Cb 0.53 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 69.29 1g11 n THR 59 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g11 n ARG 60 N -0.47 1.56 0.32 -0.78 3.00 -1.26 -4.33 116.66 114.70 1g11 n ARG 60 Ca 0.04 -1.25 0.20 0.00 -0.00 0.00 0.00 57.85 56.84 1g11 n ARG 60 Cb 0.51 -1.49 1.10 0.00 0.00 0.00 0.00 32.46 32.57 1g11 n ARG 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1g11 h LYS 61 N 0.72 0.00 -0.07 -0.14 1.63 -1.86 -1.27 116.57 115.58 1g11 h LYS 61 Ca 0.25 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 1g11 h LYS 61 Cb 1.49 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1g11 h LYS 61 CO 0.51 0.00 -0.07 0.00 -3.45 0.00 0.00 179.45 176.44 1g11 h THR 62 N 0.00 1.37 -0.33 1.00 1.03 -1.84 0.23 112.91 114.37 1g11 h THR 62 Ca 0.00 -1.23 -0.04 0.00 -0.01 0.00 0.00 66.41 65.14 1g11 h THR 62 Cb 0.03 2.03 -0.02 0.00 -1.07 0.00 0.00 68.15 69.12 1g11 h THR 62 CO -0.00 0.34 0.04 0.25 -0.01 0.00 0.00 175.52 176.14 1g11 h LEU 63 N -0.26 0.46 -0.18 0.00 6.46 -1.61 0.24 115.31 120.42 1g11 h LEU 63 Ca 0.01 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1g11 h LEU 63 Cb 0.58 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1g11 h LEU 63 CO 0.02 0.50 -0.20 -0.33 -0.62 0.00 0.00 178.44 177.80 1g11 h GLU 64 N 0.49 0.00 0.18 1.25 4.39 -1.27 -2.91 114.58 116.71 1g11 h GLU 64 Ca 0.11 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.49 1g11 h GLU 64 Cb 0.25 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1g11 h GLU 64 CO 0.00 0.20 -1.48 0.93 -1.16 0.00 0.00 179.01 177.50 1g11 h GLU 65 N 0.00 0.39 -0.67 2.33 5.08 0.85 -3.32 114.58 119.23 1g11 h GLU 65 Ca -0.00 -0.66 -0.08 0.00 -1.00 0.00 0.00 59.36 57.62 1g11 h GLU 65 Cb 1.09 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1g11 h GLU 65 CO 0.03 1.29 0.12 1.96 -1.00 0.00 0.00 179.01 181.41 1g11 h GLN 66 N 0.11 1.10 -1.50 2.33 4.20 -0.59 -0.64 115.11 120.12 1g11 h GLN 66 Ca -0.24 -0.29 0.44 0.00 0.06 0.00 0.00 58.65 58.62 1g11 h GLN 66 Cb 2.08 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 29.67 1g11 h GLN 66 CO 0.22 1.00 1.22 -0.07 -0.67 0.00 0.00 178.83 180.53 1g11 h LEU 67 N 1.02 0.00 -5.14 1.46 3.38 -1.61 -2.59 115.31 111.84 1g11 h LEU 67 Ca 0.20 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 1g11 h LEU 67 Cb 0.42 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.00 1g11 h LEU 67 CO 0.01 0.00 -0.56 0.61 0.09 0.00 0.00 178.44 178.59 1g11 n GLY 68 N -1.82 0.69 0.28 0.83 0.00 -0.86 -4.99 105.19 99.32 1g11 n GLY 68 Ca 0.33 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 3.56 0.58 -3.49 1.61 3.08 -0.72 -2.98 114.38 116.02 1g11 h ARG 69 Ca -0.10 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.37 1g11 h ARG 69 Cb 1.04 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.98 1g11 h ARG 69 CO 0.28 0.38 3.04 -0.35 -1.07 0.00 0.00 179.97 182.25 1g11 n PRO 70 N -4.88 2.62 0.00 0.04 -0.04 -1.26 -4.71 135.00 126.77 1g11 n PRO 70 Ca 0.13 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1g11 n PRO 70 Cb 0.34 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 4.62 0.00 -3.59 0.54 -1.74 -1.13 -5.19 117.46 110.97 1g11 n PHE 71 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.46 1g11 n PHE 71 Cb 0.23 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.23 1g11 n PHE 71 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1g11 n ASN 72 N 0.00 0.00 0.08 5.98 3.02 -1.26 -5.05 115.26 118.03 1g11 n ASN 72 Ca 0.00 -0.63 0.12 0.00 -0.03 0.00 0.00 54.58 54.04 1g11 n ASN 72 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1g11 n ASN 72 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1g11 h MET 73 N 0.00 0.00 0.00 3.52 2.86 -2.00 -3.33 114.93 115.98 1g11 h MET 73 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1g11 h MET 73 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1g11 h MET 73 CO 0.00 0.00 -0.08 0.37 1.06 0.00 0.00 176.91 178.26 1g11 h GLN 74 N 0.00 0.00 -0.27 1.72 4.15 -1.99 -1.09 115.11 117.63 1g11 h GLN 74 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1g11 h GLN 74 Cb 0.87 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1g11 h GLN 74 CO 0.00 0.08 -0.26 0.93 -1.93 0.00 0.00 178.83 177.65 1g11 h GLU 75 N 0.00 0.53 0.89 1.69 5.08 -1.98 -1.66 114.58 119.12 1g11 h GLU 75 Ca -0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1g11 h GLU 75 Cb 0.15 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1g11 h GLU 75 CO 0.01 0.74 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.27 1g11 h LEU 76 N 0.46 -1.01 -0.97 1.33 4.07 -1.41 0.68 115.31 118.47 1g11 h LEU 76 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1g11 h LEU 76 Cb 0.70 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1g11 h LEU 76 CO 0.05 -0.69 0.00 1.21 -1.08 0.00 0.00 178.44 177.94 1g11 n GLU 77 N -5.58 0.11 -0.01 1.13 2.13 -1.13 -1.33 120.64 115.96 1g11 n GLU 77 Ca -0.15 0.57 -0.21 0.00 0.66 0.00 0.00 57.16 58.02 1g11 n GLU 77 Cb 0.48 -1.83 -0.13 0.00 0.27 0.00 0.00 31.44 30.22 1g11 n GLU 77 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1g11 h ILE 78 N 0.00 0.94 0.00 6.31 1.08 -0.41 -3.38 117.51 122.06 1g11 h ILE 78 Ca 0.00 -2.35 -0.38 0.00 -0.39 0.00 0.00 64.86 61.73 1g11 h ILE 78 Cb 0.05 2.60 0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1g11 h ILE 78 CO 0.00 0.68 2.52 0.59 -0.69 0.00 0.00 178.15 181.25 1g11 n ASN 79 N -3.93 4.53 -4.38 1.72 3.02 0.23 -4.80 115.26 111.65 1g11 n ASN 79 Ca -0.27 -2.34 -0.31 0.00 -0.03 0.00 0.00 54.58 51.63 1g11 n ASN 79 Cb 0.89 -1.07 -0.14 0.00 -0.61 0.00 0.00 39.78 38.84 1g11 n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g11 s LEU 80 N 0.18 2.32 0.03 3.41 1.02 -1.26 -4.02 118.68 120.37 1g11 s LEU 80 Ca 0.39 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1g11 s LEU 80 Cb 0.10 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.90 1g11 s LEU 80 CO -0.02 0.30 0.00 0.00 0.02 0.00 0.00 176.35 176.65 1g11 n ALA 81 N 2.10 3.00 -3.78 4.21 0.00 -0.41 -4.63 120.51 121.00 1g11 n ALA 81 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1g11 n ALA 81 Cb 0.52 0.39 -0.01 0.00 0.00 0.00 0.00 19.45 20.35 1g11 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g11 s SER 82 N -5.20 -0.16 0.29 0.00 0.15 0.02 -4.95 113.70 103.86 1g11 s SER 82 Ca 0.00 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 1g11 s SER 82 Cb 0.00 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1g11 s SER 82 CO 0.00 -0.96 0.57 -0.36 1.20 0.00 0.00 173.24 173.68 1g11 s PHE 83 N -3.21 0.35 0.00 3.44 0.08 -1.26 0.13 117.98 117.52 1g11 s PHE 83 Ca 0.13 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1g11 s PHE 83 Cb -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.76 1g11 s PHE 83 CO 0.03 -1.15 0.00 0.00 -0.10 0.00 0.00 175.22 174.00 1g11 n ALA 84 N -0.45 2.51 -2.60 5.36 0.00 -1.22 -4.89 120.51 119.23 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 0.61 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.28 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 2.27 3.83 3.87 0.00 0.00 -1.26 -4.93 105.19 108.96 1g11 n GLY 85 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1g11 n GLY 85 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g11 s GLN 86 N 3.62 2.26 -0.09 1.61 0.74 0.25 -4.99 119.66 123.07 1g11 s GLN 86 Ca 0.00 -2.01 -0.30 0.00 0.05 0.00 0.00 55.36 53.10 1g11 s GLN 86 Cb 0.00 -2.04 0.07 0.00 1.10 0.00 0.00 33.01 32.14 1g11 s GLN 86 CO 0.00 -0.51 0.69 -1.50 -0.55 0.00 0.00 175.29 173.42 1g11 s ILE 87 N -2.75 0.00 -0.10 -2.34 -1.16 -1.26 -1.84 121.20 111.75 1g11 s ILE 87 Ca 0.32 -0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.43 1g11 s ILE 87 Cb -0.01 -1.00 0.05 0.00 0.61 0.00 0.00 42.46 42.11 1g11 s ILE 87 CO 0.20 -0.00 0.16 -1.10 -2.81 0.00 0.00 174.94 171.38 1g11 s GLN 88 N -0.91 0.05 0.15 3.50 -0.21 0.14 -4.97 119.66 117.42 1g11 s GLN 88 Ca -0.09 0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.71 1g11 s GLN 88 Cb -0.01 -0.54 -0.05 0.00 1.00 0.00 0.00 33.01 33.41 1g11 s GLN 88 CO 0.08 -0.38 0.37 0.00 -2.12 0.00 0.00 175.29 173.24 1g11 s ALA 89 N 2.28 3.82 0.34 6.09 0.00 -1.26 -0.59 121.76 132.43 1g11 s ALA 89 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1g11 s ALA 89 Cb -0.13 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1g11 s ALA 89 CO -0.07 0.61 0.02 -3.47 0.00 0.00 0.00 175.76 172.86 1g11 n ASP 90 N -0.12 2.86 -0.27 0.00 2.03 0.76 -4.95 116.55 116.87 1g11 n ASP 90 Ca -0.03 -2.44 0.01 0.00 0.52 0.00 0.00 54.79 52.85 1g11 n ASP 90 Cb 0.52 0.21 0.06 0.00 -0.72 0.00 0.00 41.12 41.19 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 -0.87 -0.13 -2.96 -0.67 0.28 -1.26 -2.80 120.64 112.23 1g11 n GLU 91 Ca -0.13 1.09 -0.13 0.00 -0.16 0.00 0.00 57.16 57.83 1g11 n GLU 91 Cb 0.42 -1.63 0.03 0.00 1.43 0.00 0.00 31.44 31.69 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1g11 n ASP 92 N -5.09 -0.70 -3.63 -1.84 5.75 -1.26 -5.12 116.55 104.66 1g11 n ASP 92 Ca 0.09 -3.33 -0.08 0.00 -0.01 0.00 0.00 54.79 51.46 1g11 n ASP 92 Cb 0.31 0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 41.00 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g11 s GLN 93 N -1.13 1.26 -0.15 0.11 -2.07 -1.12 -4.24 119.66 112.32 1g11 s GLN 93 Ca 0.31 -0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 53.21 1g11 s GLN 93 Cb 0.32 0.49 0.06 0.00 -1.09 0.00 0.00 33.01 32.80 1g11 s GLN 93 CO -0.06 -0.56 0.14 -1.50 -1.32 0.00 0.00 175.29 171.98 1g11 s ILE 94 N -3.50 -0.20 -0.12 3.63 2.07 0.25 -0.17 121.20 123.16 1g11 s ILE 94 Ca 0.07 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1g11 s ILE 94 Cb -0.02 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 1g11 s ILE 94 CO -0.03 -0.13 -0.07 -0.13 -1.91 0.00 0.00 174.94 172.67 1g11 s ARG 95 N 2.23 3.34 -0.09 3.50 1.81 0.24 -0.27 118.95 129.70 1g11 s ARG 95 Ca 0.04 -0.57 -0.02 0.00 -1.72 0.00 0.00 55.73 53.46 1g11 s ARG 95 Cb -0.15 -2.75 -0.03 0.00 -0.45 0.00 0.00 34.95 31.57 1g11 s ARG 95 CO -0.09 0.35 -0.02 -0.06 -0.68 0.00 0.00 175.30 174.81 1g11 s PHE 96 N 0.03 3.08 -0.02 -0.53 0.08 -0.91 0.26 117.98 119.96 1g11 s PHE 96 Ca -0.01 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 1g11 s PHE 96 Cb -0.14 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1g11 s PHE 96 CO 0.03 0.35 0.04 0.71 -0.10 0.00 0.00 175.22 176.25 1g11 s TYR 97 N -0.65 -0.01 -0.12 0.36 2.02 -0.76 -1.21 117.35 116.98 1g11 s TYR 97 Ca 0.10 0.15 0.16 0.00 -0.37 0.00 0.00 57.07 57.12 1g11 s TYR 97 Cb -0.12 -0.16 -0.10 0.00 -0.40 0.00 0.00 41.96 41.19 1g11 s TYR 97 CO 0.02 -0.08 0.94 0.35 -1.57 0.00 0.00 175.55 175.21 1g11 h PHE 98 N 6.98 0.00 -2.02 2.71 3.04 -1.56 0.73 116.94 126.82 1g11 h PHE 98 Ca -0.40 0.00 -0.64 0.00 3.98 0.00 0.00 57.97 60.91 1g11 h PHE 98 Cb 1.15 0.00 0.08 0.00 2.56 0.00 0.00 35.95 39.73 1g11 h PHE 98 CO 0.47 0.57 0.31 -0.25 -2.02 0.00 0.00 178.31 177.40 1g11 n ASP 99 N -2.95 1.51 0.00 0.41 9.92 -1.26 -4.58 116.55 119.60 1g11 n ASP 99 Ca -0.07 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 1g11 n ASP 99 Cb 0.82 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1g11 n ASP 99 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1g11 n LYS 100 N 1.81 0.00 -2.04 -1.24 4.01 -1.26 -4.66 118.16 114.78 1g11 n LYS 100 Ca 0.15 0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.56 1g11 n LYS 100 Cb 0.25 -0.58 -0.03 0.00 -0.51 0.00 0.00 35.03 34.17 1g11 n LYS 100 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1g11 s THR 101 N -0.16 3.35 0.00 -0.18 -1.32 -1.26 -5.06 115.64 111.01 1g11 s THR 101 Ca 0.00 0.72 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1g11 s THR 101 Cb 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1g11 s THR 101 CO 0.00 -0.01 0.30 1.15 -2.21 0.00 0.00 174.62 173.84