#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 0.00-13.58 -2.80 0.44 -1.04 -1.26 -5.06 114.28 90.99 1g11 n THR 2 Ca 0.00 3.32 -0.00 0.00 -2.04 0.00 0.00 64.05 65.32 1g11 n THR 2 Cb 0.00 -5.85 0.01 0.00 -1.82 0.00 0.00 70.33 62.67 1g11 n THR 2 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1g11 s LEU 3 N -0.56 -0.61 -0.25 -4.42 0.20 -1.26 -5.16 118.68 106.62 1g11 s LEU 3 Ca 0.00 -0.48 -0.29 0.00 0.69 0.00 0.00 54.13 54.04 1g11 s LEU 3 Cb 0.00 0.79 0.18 0.00 -0.43 0.00 0.00 46.19 46.73 1g11 s LEU 3 CO 0.00 -0.05 1.27 0.00 -0.29 0.00 0.00 176.35 177.28 1g11 s ALA 4 N 1.53 -2.07 0.00 5.97 0.00 -1.26 -5.17 121.76 120.75 1g11 s ALA 4 Ca 0.19 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1g11 s ALA 4 Cb 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1g11 s ALA 4 CO -0.11 -0.26 0.00 -3.47 0.00 0.00 0.00 175.76 171.91 1g11 n ASP 5 N 0.57 0.00 -3.80 0.00 -0.08 -1.26 -5.19 116.55 106.78 1g11 n ASP 5 Ca -0.03 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.18 1g11 n ASP 5 Cb 0.59 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.03 1g11 n ASP 5 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1g11 s GLN 6 N 0.00 1.70 -0.30 -0.67 -0.21 -1.26 -5.14 119.66 113.78 1g11 s GLN 6 Ca 0.00 -0.91 -0.13 0.00 0.02 0.00 0.00 55.36 54.33 1g11 s GLN 6 Cb 0.00 0.60 0.19 0.00 1.00 0.00 0.00 33.01 34.79 1g11 s GLN 6 CO 0.00 -0.78 1.13 0.00 -2.12 0.00 0.00 175.29 173.52 1g11 s ALA 7 N -3.87 -4.56 -0.41 6.09 0.00 -1.26 -5.10 121.76 112.65 1g11 s ALA 7 Ca 0.10 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.53 1g11 s ALA 7 Cb -0.05 -2.97 0.18 0.00 0.00 0.00 0.00 23.12 20.27 1g11 s ALA 7 CO 0.04 -2.33 0.36 1.28 0.00 0.00 0.00 175.76 175.12 1g11 n LEU 8 N 4.37 -0.35 -3.64 0.00 4.77 -1.26 -4.95 117.00 115.94 1g11 n LEU 8 Ca 0.08 -4.42 -0.04 0.00 -0.03 0.00 0.00 56.01 51.60 1g11 n LEU 8 Cb 0.61 0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 42.18 1g11 n LEU 8 CO -0.16 1.88 1.10 -2.28 -1.33 0.00 0.00 177.39 176.60 1g11 s HIS 9 N -0.11 -0.10 0.26 -1.77 2.46 -1.26 -4.96 115.29 109.80 1g11 s HIS 9 Ca 0.33 0.22 -0.27 0.00 0.47 0.00 0.00 55.06 55.81 1g11 s HIS 9 Cb 0.05 0.48 -0.16 0.00 -0.13 0.00 0.00 32.58 32.82 1g11 s HIS 9 CO -0.19 -0.07 0.59 0.27 -2.47 0.00 0.00 174.74 172.87 1g11 n ASN 10 N 1.12 -0.80 0.00 9.88 0.23 -1.26 -4.82 115.26 119.60 1g11 n ASN 10 Ca -0.06 1.09 0.00 0.00 -0.53 0.00 0.00 54.58 55.08 1g11 n ASN 10 Cb 0.58 -1.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1g11 n ASN 11 N 1.79 0.00 -3.67 0.53 4.13 -0.72 -4.97 115.26 112.36 1g11 n ASN 11 Ca 0.15 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.32 1g11 n ASN 11 Cb 0.29 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.44 1g11 n ASN 11 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1g11 s ASN 12 N 1.00 -0.59 0.32 6.41 4.22 -0.81 -4.48 114.94 121.02 1g11 s ASN 12 Ca 0.00 1.08 0.08 0.00 -2.14 0.00 0.00 52.86 51.88 1g11 s ASN 12 Cb 0.00 1.12 -0.03 0.00 1.28 0.00 0.00 41.25 43.62 1g11 s ASN 12 CO 0.00 -0.21 0.22 0.68 -2.04 0.00 0.00 177.10 175.74 1g11 s VAL 13 N 1.82 3.55 -0.47 3.54 -7.23 -0.75 -4.82 120.40 116.04 1g11 s VAL 13 Ca -0.08 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 1g11 s VAL 13 Cb -0.09 -3.14 0.18 0.00 0.56 0.00 0.00 36.38 33.89 1g11 s VAL 13 CO -0.15 -0.22 0.66 -0.83 -0.31 0.00 0.00 175.10 174.25 1g11 s GLY 14 N -3.91 -1.09 0.03 2.32 0.00 -1.26 -2.48 107.32 100.94 1g11 s GLY 14 Ca 0.38 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 1g11 s GLY 14 CO 0.25 3.55 1.18 2.56 0.00 0.00 0.00 173.10 180.63 1g11 s PRO 15 N 1.20 4.43 -0.33 2.90 0.04 -1.23 -1.24 135.00 140.77 1g11 s PRO 15 Ca 0.25 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1g11 s PRO 15 Cb -0.02 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1g11 s PRO 15 CO -0.06 -0.27 0.07 0.42 0.04 0.00 0.00 177.00 177.20 1g11 s ILE 16 N 1.26 3.55 0.38 0.56 1.09 0.17 -2.26 121.20 125.95 1g11 s ILE 16 Ca 0.58 -1.21 0.08 0.00 -1.10 0.00 0.00 60.65 59.00 1g11 s ILE 16 Cb -0.28 -3.02 -0.07 0.00 -1.06 0.00 0.00 42.46 38.03 1g11 s ILE 16 CO 0.28 -0.16 -0.03 0.27 -0.10 0.00 0.00 174.94 175.20 1g11 s ILE 17 N 1.36 2.14 0.66 2.92 -0.00 0.53 -0.04 121.20 128.77 1g11 s ILE 17 Ca -0.03 -2.08 -0.12 0.00 -0.00 0.00 0.00 60.65 58.42 1g11 s ILE 17 Cb -0.20 -2.84 -0.01 0.00 -0.00 0.00 0.00 42.46 39.41 1g11 s ILE 17 CO 0.02 -0.10 1.05 0.00 -0.00 0.00 0.00 174.94 175.91 1g11 s ARG 18 N -3.67 3.13 -0.49 0.37 1.70 -1.26 0.27 118.95 119.00 1g11 s ARG 18 Ca 0.34 1.00 -0.22 0.00 -0.47 0.00 0.00 55.73 56.38 1g11 s ARG 18 Cb 0.06 -2.01 0.04 0.00 -0.57 0.00 0.00 34.95 32.46 1g11 s ARG 18 CO 0.18 -0.94 0.75 0.00 -1.08 0.00 0.00 175.30 174.20 1g11 s ALA 19 N -2.90 3.29 0.00 7.88 0.00 -1.21 -3.95 121.76 124.88 1g11 s ALA 19 Ca 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1g11 s ALA 19 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1g11 s ALA 19 CO 0.49 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1g11 n GLY 20 N 5.08 1.89 0.00 0.00 0.00 -1.26 -4.90 105.19 106.00 1g11 n GLY 20 Ca -0.01 0.00 0.00 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 0.00 0.00 -1.26 1.61 2.03 -1.26 -4.93 116.55 112.75 1g11 n ASP 21 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1g11 n ASP 21 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.00 4.50 0.02 -2.67 4.32 -1.26 -4.34 117.00 117.56 1g11 n LEU 22 Ca 0.00 -2.88 0.12 0.00 -0.02 0.00 0.00 56.01 53.23 1g11 n LEU 22 Cb 0.00 -0.57 0.53 0.00 -1.62 0.00 0.00 43.42 41.75 1g11 n LEU 22 CO 0.00 0.68 0.90 0.52 -1.22 0.00 0.00 177.39 178.27 1g11 n VAL 23 N 0.05 0.31 0.04 4.08 0.31 -1.26 -1.95 118.33 119.91 1g11 n VAL 23 Ca 0.23 0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.55 1g11 n VAL 23 Cb 0.96 -0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 33.23 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 -0.20 0.00 5.55 5.08 -1.99 -0.71 114.58 122.31 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1g11 h GLU 24 Cb 0.47 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1g11 h GLU 24 CO 0.00 -0.08 0.00 -0.35 -1.00 0.00 0.00 179.01 177.58 1g11 n PRO 25 N -4.91 0.02 -0.03 2.33 -0.04 -1.24 -1.41 135.00 129.73 1g11 n PRO 25 Ca -0.03 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1g11 n PRO 25 Cb 0.11 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1g11 n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1g11 h VAL 26 N 0.00 0.73 -0.15 0.52 2.07 -1.48 -2.86 116.25 115.09 1g11 h VAL 26 Ca 0.00 -2.29 -0.14 0.00 0.82 0.00 0.00 66.70 65.09 1g11 h VAL 26 Cb 0.39 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1g11 h VAL 26 CO 0.00 0.71 -0.51 -0.29 0.02 0.00 0.00 177.57 177.50 1g11 h ILE 27 N -0.28 1.33 -0.24 4.57 6.09 -1.03 0.61 117.51 128.57 1g11 h ILE 27 Ca -0.40 -1.75 -0.13 0.00 -1.37 0.00 0.00 64.86 61.21 1g11 h ILE 27 Cb 1.80 1.78 -0.00 0.00 0.47 0.00 0.00 36.82 40.87 1g11 h ILE 27 CO -0.01 0.53 -0.35 -0.08 -3.07 0.00 0.00 178.15 175.18 1g11 h GLU 28 N 0.31 0.66 0.00 2.19 4.22 -1.39 0.51 114.58 121.09 1g11 h GLU 28 Ca 0.01 -0.39 -0.12 0.00 0.08 0.00 0.00 59.36 58.94 1g11 h GLU 28 Cb 1.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1g11 h GLU 28 CO 0.09 1.00 -0.56 1.15 -2.18 0.00 0.00 179.01 178.51 1g11 h THR 29 N 0.38 1.04 0.00 0.32 2.02 -1.41 -1.79 112.91 113.47 1g11 h THR 29 Ca 0.03 -2.26 -0.05 0.00 0.77 0.00 0.00 66.41 64.90 1g11 h THR 29 Cb 0.93 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1g11 h THR 29 CO 0.08 0.55 -0.23 0.00 0.37 0.00 0.00 175.52 176.29 1g11 h ALA 30 N 1.44 0.85 0.15 6.16 0.00 0.33 -2.58 119.26 125.61 1g11 h ALA 30 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 1g11 h ALA 30 Cb 1.32 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1g11 h ALA 30 CO 0.07 0.29 -1.40 0.93 0.00 0.00 0.00 179.25 179.15 1g11 h GLU 31 N 0.00 0.32 -0.00 0.00 4.39 -0.75 -3.23 114.58 115.30 1g11 h GLU 31 Ca -0.00 -0.55 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 1g11 h GLU 31 Cb 1.16 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1g11 h GLU 31 CO 0.03 1.26 -0.26 -0.84 -1.16 0.00 0.00 179.01 178.04 1g11 h ILE 32 N -0.17 1.19 -0.44 3.13 -0.00 -1.38 -1.73 117.51 118.10 1g11 h ILE 32 Ca -0.28 -0.90 -0.07 0.00 -0.00 0.00 0.00 64.86 63.62 1g11 h ILE 32 Cb 1.86 1.48 -0.02 0.00 -0.00 0.00 0.00 36.82 40.14 1g11 h ILE 32 CO 0.12 0.26 0.00 -0.78 -0.00 0.00 0.00 178.15 177.75 1g11 h ASP 33 N 0.00 0.69 -1.76 2.16 1.82 -1.55 -3.44 116.42 114.34 1g11 h ASP 33 Ca -0.00 -0.16 -0.45 0.00 -0.39 0.00 0.00 57.03 56.03 1g11 h ASP 33 Cb 0.46 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1g11 h ASP 33 CO 0.03 0.76 -0.36 0.20 -1.61 0.00 0.00 179.24 178.26 1g11 s ASN 34 N -6.66 5.73 -0.70 2.28 0.02 -0.65 -4.98 114.94 109.97 1g11 s ASN 34 Ca -0.09 -0.31 -0.06 0.00 -1.02 0.00 0.00 52.86 51.38 1g11 s ASN 34 Cb 0.15 -1.08 -0.12 0.00 0.02 0.00 0.00 41.25 40.21 1g11 s ASN 34 CO 0.80 -0.45 2.62 -0.81 0.02 0.00 0.00 177.10 179.28 1g11 n PRO 35 N -1.59 2.23 -2.20 -0.60 -0.04 -1.26 -4.66 135.00 126.88 1g11 n PRO 35 Ca 0.00 -1.34 -0.39 0.00 -0.04 0.00 0.00 63.50 61.73 1g11 n PRO 35 Cb 0.59 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 3.24 5.53 1.82 0.55 0.00 -1.23 -4.66 105.19 110.45 1g11 n GLY 36 Ca 0.48 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 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 0.80 1.84 -2.66 1.61 4.01 -1.26 -4.16 118.16 118.34 1g11 n LYS 37 Ca 0.55 -1.95 -0.03 0.00 -0.51 0.00 0.00 58.31 56.37 1g11 n LYS 37 Cb 0.28 -1.76 0.10 0.00 -0.51 0.00 0.00 35.03 33.14 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 -0.47 0.09 -4.53 1.97 0.28 -1.26 -5.17 120.64 111.55 1g11 n GLU 38 Ca 0.39 -0.62 -0.26 0.00 -0.16 0.00 0.00 57.16 56.51 1g11 n GLU 38 Cb 1.15 -0.08 -0.10 0.00 1.43 0.00 0.00 31.44 33.84 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 0.02 2.16 -0.17 3.84 -1.09 -1.26 -4.90 121.20 119.81 1g11 s ILE 39 Ca 0.18 -2.19 -0.01 0.00 -2.23 0.00 0.00 60.65 56.40 1g11 s ILE 39 Cb 0.27 -2.64 0.05 0.00 -1.58 0.00 0.00 42.46 38.56 1g11 s ILE 39 CO -0.19 -0.20 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.41 1g11 s THR 40 N -2.66 0.88 -0.02 2.92 2.01 -0.87 -5.03 115.64 112.86 1g11 s THR 40 Ca 0.32 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1g11 s THR 40 Cb 0.03 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1g11 s THR 40 CO 0.16 0.01 0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 1g11 s VAL 41 N 1.72 5.22 -0.61 3.82 1.01 -1.26 0.20 120.40 130.50 1g11 s VAL 41 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1g11 s VAL 41 Cb -0.16 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 32.98 1g11 s VAL 41 CO -0.07 0.38 0.42 -1.61 0.00 0.00 0.00 175.10 174.21 1g11 s GLU 42 N -1.74 2.03 -0.76 2.72 2.02 0.04 -4.97 118.70 118.05 1g11 s GLU 42 Ca 0.24 -2.94 -0.24 0.00 0.02 0.00 0.00 54.97 52.05 1g11 s GLU 42 Cb -0.12 -2.96 0.06 0.00 0.10 0.00 0.00 34.13 31.20 1g11 s GLU 42 CO 0.15 -1.27 1.17 -0.51 0.02 0.00 0.00 175.26 174.82 1g11 s ASP 43 N -0.91 6.24 0.00 -0.19 1.01 -1.26 -2.38 116.67 119.18 1g11 s ASP 43 Ca 0.25 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.61 1g11 s ASP 43 Cb -0.07 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1g11 s ASP 43 CO -0.14 -1.59 0.00 -1.14 0.21 0.00 0.00 175.17 172.51 1g11 n ARG 44 N 8.48 0.00 0.00 8.23 3.00 -1.23 -5.05 116.66 130.09 1g11 n ARG 44 Ca 0.06 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1g11 n ARG 44 Cb 0.48 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 32.26 1g11 n ARG 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1g11 n ARG 45 N -1.04 0.00 0.08 -0.14 5.12 -1.26 -4.95 116.66 114.47 1g11 n ARG 45 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1g11 n ARG 45 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.41 -2.90 7.54 0.00 -1.96 -3.45 119.26 118.90 1g11 h ALA 46 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 54.91 53.84 1g11 h ALA 46 Cb 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 1g11 h ALA 46 CO 0.00 0.93 -0.28 0.71 0.00 0.00 0.00 179.25 180.62 1g11 s TYR 47 N -3.09 1.20 -0.11 0.00 2.02 -1.26 -3.32 117.35 112.79 1g11 s TYR 47 Ca -0.03 -1.36 0.04 0.00 -0.37 0.00 0.00 57.07 55.34 1g11 s TYR 47 Cb 0.09 -0.24 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 1g11 s TYR 47 CO 0.84 -1.05 -0.23 0.08 -1.57 0.00 0.00 175.55 173.62 1g11 s VAL 48 N -3.23 2.05 0.19 0.71 1.01 0.14 -3.53 120.40 117.75 1g11 s VAL 48 Ca 0.33 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1g11 s VAL 48 Cb 0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1g11 s VAL 48 CO 0.21 0.56 -0.19 -0.60 0.00 0.00 0.00 175.10 175.08 1g11 s ARG 49 N 0.49 1.37 0.18 2.72 3.52 -1.00 -0.34 118.95 125.89 1g11 s ARG 49 Ca -0.15 -1.49 -0.02 0.00 -0.13 0.00 0.00 55.73 53.93 1g11 s ARG 49 Cb -0.17 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 1g11 s ARG 49 CO 0.06 0.29 0.14 0.42 -0.81 0.00 0.00 175.30 175.40 1g11 s ILE 50 N -2.13 0.03 -0.18 4.11 1.01 -0.96 -0.78 121.20 122.30 1g11 s ILE 50 Ca 0.19 -1.91 -0.05 0.00 0.00 0.00 0.00 60.65 58.89 1g11 s ILE 50 Cb -0.06 -2.33 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1g11 s ILE 50 CO 0.08 -0.14 0.32 0.00 0.00 0.00 0.00 174.94 175.20 1g11 s ALA 51 N -4.11 -0.76 0.22 9.38 0.00 0.13 -3.52 121.76 123.11 1g11 s ALA 51 Ca 0.33 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1g11 s ALA 51 Cb 0.06 -1.27 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 1g11 s ALA 51 CO 0.08 -0.88 0.02 0.00 0.00 0.00 0.00 175.76 174.99 1g11 n ALA 52 N 5.36 0.22 0.05 0.00 0.00 -1.04 -2.04 120.51 123.07 1g11 n ALA 52 Ca -0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 1g11 n ALA 52 Cb 0.50 0.61 -0.14 0.00 0.00 0.00 0.00 19.45 20.42 1g11 n ALA 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1g11 h GLU 53 N 0.00 0.17 0.00 0.00 4.81 -1.88 -2.00 114.58 115.69 1g11 h GLU 53 Ca -0.18 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1g11 h GLU 53 Cb 0.59 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1g11 h GLU 53 CO 0.30 1.02 0.00 0.41 -0.73 0.00 0.00 179.01 180.01 1g11 n GLY 54 N 1.59 0.65 3.15 1.92 0.00 -1.26 -1.76 105.19 109.48 1g11 n GLY 54 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.06 0.20 1.61 -1.05 -1.26 -1.36 118.70 116.89 1g11 s GLU 55 Ca 0.00 0.10 -0.08 0.00 -0.15 0.00 0.00 54.97 54.84 1g11 s GLU 55 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 1g11 s GLU 55 CO 0.00 -0.06 0.30 -0.51 0.95 0.00 0.00 175.26 175.94 1g11 s LEU 56 N 2.92 0.83 -0.04 1.83 1.43 0.13 -4.94 118.68 120.84 1g11 s LEU 56 Ca -0.08 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1g11 s LEU 56 Cb -0.08 1.16 0.03 0.00 0.03 0.00 0.00 46.19 47.33 1g11 s LEU 56 CO -0.08 -0.95 0.06 0.27 0.23 0.00 0.00 176.35 175.88 1g11 s ILE 57 N -4.03 -0.10 -0.14 -0.59 -5.25 -1.26 -1.29 121.20 108.53 1g11 s ILE 57 Ca 0.24 0.34 0.02 0.00 -0.99 0.00 0.00 60.65 60.26 1g11 s ILE 57 Cb 0.03 -0.14 0.01 0.00 2.95 0.00 0.00 42.46 45.31 1g11 s ILE 57 CO 0.05 0.14 -0.20 -0.76 -1.79 0.00 0.00 174.94 172.38 1g11 s LEU 58 N 1.75 2.03 0.00 0.37 1.43 0.14 -4.88 118.68 119.52 1g11 s LEU 58 Ca -0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1g11 s LEU 58 Cb -0.12 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1g11 s LEU 58 CO -0.03 0.05 0.83 0.35 0.23 0.00 0.00 176.35 177.77 1g11 n THR 59 N 4.24 0.64 -1.02 5.49 -2.24 -1.26 0.07 114.28 120.19 1g11 n THR 59 Ca -0.20 -0.82 -0.15 0.00 -2.27 0.00 0.00 64.05 60.62 1g11 n THR 59 Cb 0.51 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.29 1.89 0.28 -0.78 3.00 -1.26 -4.49 116.66 115.01 1g11 n ARG 60 Ca 0.00 -1.28 0.18 0.00 -0.01 0.00 0.00 57.85 56.74 1g11 n ARG 60 Cb 0.17 -1.79 0.88 0.00 0.00 0.00 0.00 32.46 31.72 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1g11 h LYS 61 N 2.37 0.00 0.09 5.56 5.09 -1.85 0.11 116.57 127.95 1g11 h LYS 61 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.96 1g11 h LYS 61 Cb 1.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.43 1g11 h LYS 61 CO 0.45 0.00 -0.04 0.00 -2.09 0.00 0.00 179.45 177.77 1g11 h THR 62 N 0.00 1.15 0.00 0.07 1.03 -1.92 0.44 112.91 113.68 1g11 h THR 62 Ca 0.04 -1.09 -0.08 0.00 -0.01 0.00 0.00 66.41 65.28 1g11 h THR 62 Cb 0.58 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.47 1g11 h THR 62 CO -0.00 0.26 -0.36 0.25 -0.01 0.00 0.00 175.52 175.66 1g11 h LEU 63 N -0.64 0.00 0.00 0.00 6.46 -1.42 -0.27 115.31 119.44 1g11 h LEU 63 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1g11 h LEU 63 Cb 0.52 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1g11 h LEU 63 CO 0.02 0.36 -0.42 -0.33 -0.62 0.00 0.00 178.44 177.45 1g11 h GLU 64 N 0.00 0.00 0.13 1.25 5.08 -0.81 -2.53 114.58 117.70 1g11 h GLU 64 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1g11 h GLU 64 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1g11 h GLU 64 CO 0.05 0.40 -1.33 0.93 -1.00 0.00 0.00 179.01 178.07 1g11 h GLU 65 N 0.00 0.27 -0.12 2.33 5.08 0.64 -3.34 114.58 119.44 1g11 h GLU 65 Ca -0.01 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 1g11 h GLU 65 Cb 1.31 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 1g11 h GLU 65 CO 0.05 1.20 -0.20 1.96 -1.00 0.00 0.00 179.01 181.02 1g11 h GLN 66 N 0.07 0.34 -1.83 2.33 4.20 -1.10 0.24 115.11 119.37 1g11 h GLN 66 Ca -0.17 -0.21 0.54 0.00 0.06 0.00 0.00 58.65 58.88 1g11 h GLN 66 Cb 1.99 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.70 1g11 h GLN 66 CO 0.19 0.79 1.30 -0.07 -0.67 0.00 0.00 178.83 180.38 1g11 h LEU 67 N -0.07 0.04 -5.22 1.46 3.38 -1.56 -2.56 115.31 110.77 1g11 h LEU 67 Ca 0.01 0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 1g11 h LEU 67 Cb 0.77 0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.34 1g11 h LEU 67 CO 0.04 -0.04 -0.62 0.61 0.09 0.00 0.00 178.44 178.53 1g11 n GLY 68 N -1.85 0.93 0.28 0.83 0.00 -1.13 -4.99 105.19 99.27 1g11 n GLY 68 Ca 0.42 -0.28 0.05 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 3.53 0.47 -3.71 1.61 3.08 -0.08 -2.99 114.38 116.29 1g11 h ARG 69 Ca -0.08 -0.03 -0.58 0.00 0.07 0.00 0.00 59.98 59.36 1g11 h ARG 69 Cb 1.03 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.99 1g11 h ARG 69 CO 0.29 0.31 2.94 -0.35 -1.07 0.00 0.00 179.97 182.09 1g11 n PRO 70 N -4.97 2.48 -1.04 0.04 -0.04 -1.26 -4.75 135.00 125.46 1g11 n PRO 70 Ca 0.14 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1g11 n PRO 70 Cb 0.41 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 5.28 -0.96 -3.78 0.54 -1.74 -1.13 -5.12 117.46 110.56 1g11 n PHE 71 Ca 0.55 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.44 1g11 n PHE 71 Cb 0.28 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.29 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 -0.96 -0.87 0.00 5.98 4.05 -1.26 -5.00 115.26 117.20 1g11 n ASN 72 Ca 0.00 -1.38 0.00 0.00 0.45 0.00 0.00 54.58 53.65 1g11 n ASN 72 Cb 0.00 1.39 0.00 0.00 1.23 0.00 0.00 39.78 42.40 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 -0.44 0.00 -0.35 1.20 0.00 -1.26 0.31 117.12 116.57 1g11 n MET 73 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 57.70 58.22 1g11 n MET 73 Cb 0.32 -1.25 0.06 0.00 0.00 0.00 0.00 33.22 32.36 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 -1.63 -0.18 -0.27 3.17 7.27 -1.26 0.21 117.38 124.68 1g11 n GLN 74 Ca 0.00 1.42 -0.04 0.00 0.07 0.00 0.00 57.00 58.46 1g11 n GLN 74 Cb 0.00 -2.12 0.12 0.00 2.41 0.00 0.00 30.24 30.65 1g11 n GLN 74 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1g11 h GLU 75 N 0.00 1.14 -0.20 3.69 4.57 -1.86 -2.47 114.58 119.45 1g11 h GLU 75 Ca 0.35 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1g11 h GLU 75 Cb 0.59 -0.21 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 1g11 h GLU 75 CO -0.93 0.88 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.49 1g11 h LEU 76 N 1.13 -0.71 -1.49 1.64 4.07 1.71 1.53 115.31 123.19 1g11 h LEU 76 Ca 0.27 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1g11 h LEU 76 Cb 0.11 0.33 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1g11 h LEU 76 CO -0.03 -0.27 0.00 -0.08 -1.08 0.00 0.00 178.44 176.98 1g11 h GLU 77 N -0.25 0.00 0.10 1.13 4.81 -0.71 -1.48 114.58 118.18 1g11 h GLU 77 Ca 0.12 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.00 1g11 h GLU 77 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1g11 h GLU 77 CO -0.34 0.00 -1.97 -0.89 -0.73 0.00 0.00 179.01 175.07 1g11 n ILE 78 N -2.43 1.75 -1.53 2.32 2.08 0.21 -4.41 119.36 117.35 1g11 n ILE 78 Ca -0.01 -0.68 -0.40 0.00 0.56 0.00 0.00 62.75 62.22 1g11 n ILE 78 Cb 0.11 -1.62 -0.01 0.00 -0.75 0.00 0.00 39.64 37.36 1g11 n ILE 78 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1g11 n ASN 79 N -3.41 5.53 -4.02 4.38 3.02 0.46 -4.82 115.26 116.40 1g11 n ASN 79 Ca -0.30 -2.72 -0.10 0.00 -0.03 0.00 0.00 54.58 51.43 1g11 n ASN 79 Cb 1.05 -1.58 -0.08 0.00 -0.61 0.00 0.00 39.78 38.56 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 1.39 1.01 0.02 3.41 0.05 -1.26 -4.89 118.68 118.41 1g11 s LEU 80 Ca 0.55 -1.00 -0.01 0.00 0.05 0.00 0.00 54.13 53.72 1g11 s LEU 80 Cb 0.15 1.04 -0.01 0.00 -2.05 0.00 0.00 46.19 45.32 1g11 s LEU 80 CO -0.07 -0.90 -0.03 0.00 -0.55 0.00 0.00 176.35 174.80 1g11 n ALA 81 N -0.23 2.84 -3.92 1.48 0.00 -1.12 -4.90 120.51 114.66 1g11 n ALA 81 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1g11 n ALA 81 Cb 0.63 0.37 0.02 0.00 0.00 0.00 0.00 19.45 20.47 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 -5.53 0.01 -0.07 0.00 0.15 0.94 -5.01 113.70 104.20 1g11 s SER 82 Ca -0.03 -0.55 -0.29 0.00 0.70 0.00 0.00 55.95 55.77 1g11 s SER 82 Cb 0.01 0.40 0.10 0.00 -1.71 0.00 0.00 66.02 64.82 1g11 s SER 82 CO 0.04 -0.80 0.84 -0.36 1.20 0.00 0.00 173.24 174.16 1g11 s PHE 83 N -2.08 -0.47 -0.04 3.44 0.08 -1.26 -0.66 117.98 116.99 1g11 s PHE 83 Ca 0.25 0.68 0.13 0.00 0.12 0.00 0.00 56.93 58.10 1g11 s PHE 83 Cb -0.02 0.46 -0.19 0.00 -0.57 0.00 0.00 43.02 42.70 1g11 s PHE 83 CO 0.04 -0.51 0.24 0.00 -0.10 0.00 0.00 175.22 174.89 1g11 n ALA 84 N 0.50 2.33 -3.01 5.36 0.00 -0.37 -4.90 120.51 120.42 1g11 n ALA 84 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1g11 n ALA 84 Cb 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 1.86 7.73 3.77 0.00 0.00 -1.26 -4.68 105.19 112.60 1g11 n GLY 85 Ca -0.06 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 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 0.96 2.32 -0.00 1.61 -0.21 -0.92 -5.01 119.66 118.41 1g11 s GLN 86 Ca 0.00 -1.71 -0.15 0.00 0.02 0.00 0.00 55.36 53.52 1g11 s GLN 86 Cb 0.00 -2.11 0.02 0.00 1.00 0.00 0.00 33.01 31.92 1g11 s GLN 86 CO 0.00 -0.08 0.31 0.96 -2.12 0.00 0.00 175.29 174.36 1g11 s ILE 87 N -2.53 0.06 -0.12 1.08 -4.36 -1.26 -2.84 121.20 111.23 1g11 s ILE 87 Ca 0.42 -0.51 -0.10 0.00 -0.26 0.00 0.00 60.65 60.20 1g11 s ILE 87 Cb 0.01 -0.69 0.03 0.00 1.25 0.00 0.00 42.46 43.06 1g11 s ILE 87 CO 0.24 -0.28 0.30 -1.58 0.24 0.00 0.00 174.94 173.86 1g11 s GLN 88 N -1.59 0.34 0.08 0.37 0.74 -1.01 -5.02 119.66 113.56 1g11 s GLN 88 Ca -0.12 0.45 0.05 0.00 0.05 0.00 0.00 55.36 55.80 1g11 s GLN 88 Cb -0.04 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1g11 s GLN 88 CO 0.03 -0.06 -0.04 0.00 -0.55 0.00 0.00 175.29 174.66 1g11 s ALA 89 N 0.34 3.14 0.19 1.58 0.00 -1.26 -0.82 121.76 124.93 1g11 s ALA 89 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1g11 s ALA 89 Cb -0.03 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1g11 s ALA 89 CO -0.01 0.67 0.00 -0.25 0.00 0.00 0.00 175.76 176.17 1g11 n ASP 90 N 0.76 2.48 -0.18 0.00 9.92 0.17 -4.94 116.55 124.76 1g11 n ASP 90 Ca -0.12 -1.84 -0.05 0.00 -0.53 0.00 0.00 54.79 52.25 1g11 n ASP 90 Cb 0.52 0.14 -0.04 0.00 -0.64 0.00 0.00 41.12 41.10 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1g11 n GLU 91 N -0.47 -0.19 -3.03 -1.24 0.28 -1.26 -2.91 120.64 111.82 1g11 n GLU 91 Ca -0.08 0.71 -0.15 0.00 -0.16 0.00 0.00 57.16 57.48 1g11 n GLU 91 Cb 0.24 -1.04 0.01 0.00 1.43 0.00 0.00 31.44 32.08 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 -4.38 -0.33 -3.64 -1.84 5.75 -1.26 -5.11 116.55 105.74 1g11 n ASP 92 Ca 0.01 -3.22 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1g11 n ASP 92 Cb 0.11 0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 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 -1.41 0.74 -0.29 0.11 -2.07 -1.15 -4.50 119.66 111.11 1g11 s GLN 93 Ca 0.34 -0.48 -0.14 0.00 -1.82 0.00 0.00 55.36 53.26 1g11 s GLN 93 Cb 0.32 0.21 0.10 0.00 -1.09 0.00 0.00 33.01 32.54 1g11 s GLN 93 CO -0.08 -0.35 0.70 -1.50 -1.32 0.00 0.00 175.29 172.75 1g11 s ILE 94 N -2.08 -0.31 -0.04 3.63 2.07 0.11 0.41 121.20 124.99 1g11 s ILE 94 Ca 0.26 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1g11 s ILE 94 Cb -0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 1g11 s ILE 94 CO 0.02 0.00 -0.21 0.00 -1.91 0.00 0.00 174.94 172.83 1g11 s ARG 95 N 2.02 2.00 0.27 3.50 3.03 -0.00 0.24 118.95 130.00 1g11 s ARG 95 Ca -0.09 -0.76 -0.01 0.00 2.03 0.00 0.00 55.73 56.91 1g11 s ARG 95 Cb -0.07 -1.79 -0.04 0.00 -1.03 0.00 0.00 34.95 32.02 1g11 s ARG 95 CO -0.19 0.37 0.47 -0.06 -1.13 0.00 0.00 175.30 174.76 1g11 s PHE 96 N -0.23 3.49 -0.26 5.89 0.40 -0.41 -2.41 117.98 124.44 1g11 s PHE 96 Ca 0.01 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.42 1g11 s PHE 96 Cb -0.11 -1.89 0.18 0.00 0.51 0.00 0.00 43.02 41.71 1g11 s PHE 96 CO 0.01 0.26 1.29 1.52 0.70 0.00 0.00 175.22 179.00 1g11 s TYR 97 N -2.06 -0.10 -0.03 0.36 1.13 -1.13 0.22 117.35 115.73 1g11 s TYR 97 Ca 0.40 0.17 0.16 0.00 -1.41 0.00 0.00 57.07 56.39 1g11 s TYR 97 Cb -0.10 0.49 -0.25 0.00 -1.10 0.00 0.00 41.96 40.99 1g11 s TYR 97 CO 0.31 -0.10 0.34 0.34 -2.51 0.00 0.00 175.55 173.93 1g11 n PHE 98 N 0.54 0.00 -1.65 -3.49 -0.00 -0.47 -2.17 117.46 110.23 1g11 n PHE 98 Ca -0.02 0.00 -0.57 0.00 -0.00 0.00 0.00 57.45 56.86 1g11 n PHE 98 Cb 0.59 -0.41 -0.08 0.00 -0.00 0.00 0.00 39.48 39.58 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 -2.11 2.22 0.00 -2.13 8.00 -1.26 -4.86 116.55 116.41 1g11 n ASP 99 Ca -0.05 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1g11 n ASP 99 Cb 0.47 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 5.93 0.00 -2.55 -1.24 4.01 -1.26 -4.49 118.16 118.56 1g11 n LYS 100 Ca 0.31 0.43 -0.42 0.00 -0.51 0.00 0.00 58.31 58.12 1g11 n LYS 100 Cb 0.13 -1.22 -0.03 0.00 -0.51 0.00 0.00 35.03 33.39 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 -1.88 4.26 0.00 -0.18 -1.32 -1.26 -5.18 115.64 110.08 1g11 s THR 101 Ca 0.00 1.71 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 1g11 s THR 101 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 1g11 s THR 101 CO 0.00 0.18 0.00 1.15 -2.21 0.00 0.00 174.62 173.74