#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 0.00 -3.80 2.46 5.66 -1.26 -5.14 114.28 112.20 1g11 n THR 2 Ca 0.00 -1.22 -0.12 0.00 -3.05 0.00 0.00 64.05 59.66 1g11 n THR 2 Cb 0.00 1.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.93 1g11 n THR 2 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1g11 s LEU 3 N -2.15 1.11 -0.30 1.09 2.34 -1.26 -5.14 118.68 114.37 1g11 s LEU 3 Ca 0.20 -0.08 -0.14 0.00 0.06 0.00 0.00 54.13 54.18 1g11 s LEU 3 Cb 0.29 1.08 0.18 0.00 -0.56 0.00 0.00 46.19 47.17 1g11 s LEU 3 CO -0.09 -0.46 1.07 0.00 -1.06 0.00 0.00 176.35 175.82 1g11 s ALA 4 N -1.61 -3.47 -0.38 1.48 0.00 -1.26 -5.12 121.76 111.40 1g11 s ALA 4 Ca -0.12 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1g11 s ALA 4 Cb -0.05 -2.50 0.18 0.00 0.00 0.00 0.00 23.12 20.75 1g11 s ALA 4 CO 0.02 -1.44 0.76 0.34 0.00 0.00 0.00 175.76 175.44 1g11 s ASP 5 N 2.92 -1.16 -0.30 0.00 -1.08 -1.26 -5.14 116.67 110.66 1g11 s ASP 5 Ca -0.02 -0.58 -0.18 0.00 -0.52 0.00 0.00 52.55 51.25 1g11 s ASP 5 Cb -0.10 1.49 0.21 0.00 -1.46 0.00 0.00 42.92 43.06 1g11 s ASP 5 CO -0.11 -0.13 1.30 -1.58 0.52 0.00 0.00 175.17 175.18 1g11 s GLN 6 N 1.90 0.05 -0.01 4.34 0.74 -1.26 -5.11 119.66 120.30 1g11 s GLN 6 Ca 0.16 0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 1g11 s GLN 6 Cb -0.02 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.11 1g11 s GLN 6 CO -0.10 -0.01 0.01 0.00 -0.55 0.00 0.00 175.29 174.65 1g11 n ALA 7 N 2.73 -2.96 -1.99 1.58 0.00 -1.26 -5.09 120.51 113.52 1g11 n ALA 7 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1g11 n ALA 7 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1g11 n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g11 n LEU 8 N 0.21 0.00 0.00 0.00 4.77 -1.26 -4.94 117.00 115.78 1g11 n LEU 8 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1g11 n LEU 8 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1g11 n LEU 8 CO 0.02 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.65 1g11 n HIS 9 N -0.01 0.00 -3.51 -1.77 -0.00 -1.26 -4.75 115.22 103.92 1g11 n HIS 9 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1g11 n HIS 9 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1g11 n HIS 9 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1g11 s ASN 10 N 0.00 -0.43 0.00 0.26 2.47 -1.26 -2.82 114.94 113.16 1g11 s ASN 10 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.20 1g11 s ASN 10 Cb 0.00 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 1g11 s ASN 10 CO 0.00 -0.85 0.00 0.59 -3.72 0.00 0.00 177.10 173.12 1g11 n ASN 11 N -0.34 0.00 -3.62 -4.21 3.02 -1.19 -5.03 115.26 103.90 1g11 n ASN 11 Ca -0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.28 1g11 n ASN 11 Cb 0.63 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.73 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 2.00 -0.46 0.65 6.41 4.22 -1.26 -1.08 114.94 125.43 1g11 s ASN 12 Ca 0.00 0.41 0.06 0.00 -2.14 0.00 0.00 52.86 51.19 1g11 s ASN 12 Cb 0.00 0.45 0.12 0.00 1.28 0.00 0.00 41.25 43.10 1g11 s ASN 12 CO 0.00 -0.57 0.90 0.68 -2.04 0.00 0.00 177.10 176.08 1g11 s VAL 13 N -1.42 2.01 -0.35 3.54 -7.23 0.97 -4.69 120.40 113.22 1g11 s VAL 13 Ca -0.11 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1g11 s VAL 13 Cb -0.02 -2.15 0.19 0.00 0.56 0.00 0.00 36.38 34.96 1g11 s VAL 13 CO 0.06 0.00 0.77 -0.83 -0.31 0.00 0.00 175.10 174.79 1g11 s GLY 14 N -4.75 -1.29 -0.53 2.32 0.00 -1.20 -2.32 107.32 99.55 1g11 s GLY 14 Ca 0.65 0.89 -0.28 0.00 0.00 0.00 0.00 44.72 45.98 1g11 s GLY 14 CO 0.42 3.87 1.49 2.56 0.00 0.00 0.00 173.10 181.44 1g11 s PRO 15 N 2.24 3.27 -0.22 2.90 0.04 -1.16 0.86 135.00 142.93 1g11 s PRO 15 Ca 0.16 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 1g11 s PRO 15 Cb -0.03 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 1g11 s PRO 15 CO -0.15 -1.96 0.33 0.42 0.04 0.00 0.00 177.00 175.68 1g11 s ILE 16 N 6.35 5.24 0.09 0.56 -1.09 -0.26 -2.80 121.20 129.29 1g11 s ILE 16 Ca 0.57 0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1g11 s ILE 16 Cb -0.12 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1g11 s ILE 16 CO 0.26 0.26 0.12 2.30 -1.23 0.00 0.00 174.94 176.65 1g11 n ILE 17 N 4.47 0.00 -3.19 2.92 -5.35 -0.64 0.29 119.36 117.86 1g11 n ILE 17 Ca -0.10 -0.44 -0.19 0.00 -0.27 0.00 0.00 62.75 61.75 1g11 n ILE 17 Cb 0.51 0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.70 1g11 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g11 s ARG 18 N -2.20 2.60 -0.74 6.28 1.70 -1.26 -0.78 118.95 124.55 1g11 s ARG 18 Ca 0.07 -1.45 -0.24 0.00 -0.47 0.00 0.00 55.73 53.64 1g11 s ARG 18 Cb -0.00 -2.61 0.05 0.00 -0.57 0.00 0.00 34.95 31.82 1g11 s ARG 18 CO 0.05 -0.42 1.15 0.00 -1.08 0.00 0.00 175.30 175.01 1g11 s ALA 19 N -2.48 2.93 0.00 7.88 0.00 -0.50 -3.74 121.76 125.85 1g11 s ALA 19 Ca 0.54 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1g11 s ALA 19 Cb -0.07 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1g11 s ALA 19 CO 0.33 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.41 1g11 n GLY 20 N 5.48 1.78 0.00 0.00 0.00 -1.26 -4.94 105.19 106.25 1g11 n GLY 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.20 1.61 2.03 -1.26 -4.95 116.55 112.78 1g11 n ASP 21 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1g11 n ASP 21 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.17 0.00 -2.67 4.32 -1.26 -4.84 117.00 111.38 1g11 n LEU 22 Ca 0.00 0.25 0.13 0.00 -0.02 0.00 0.00 56.01 56.37 1g11 n LEU 22 Cb 0.00 -2.08 0.56 0.00 -1.62 0.00 0.00 43.42 40.28 1g11 n LEU 22 CO 0.00 -0.57 0.91 0.52 -1.22 0.00 0.00 177.39 177.03 1g11 n VAL 23 N -2.97 0.20 -0.01 4.08 0.31 -1.26 -1.88 118.33 116.80 1g11 n VAL 23 Ca -0.15 0.05 -0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1g11 n VAL 23 Cb 0.50 -0.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.80 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 -0.09 0.00 5.55 4.39 -1.98 -1.55 114.58 120.90 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1g11 h GLU 24 Cb 0.44 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1g11 h GLU 24 CO 0.00 0.06 0.00 -0.35 -1.16 0.00 0.00 179.01 177.56 1g11 n PRO 25 N -4.83 0.07 -0.00 2.33 -0.04 -1.24 -1.52 135.00 129.78 1g11 n PRO 25 Ca -0.02 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 1g11 n PRO 25 Cb 0.10 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.86 -0.30 0.52 2.07 -1.48 -2.85 116.25 115.07 1g11 h VAL 26 Ca 0.00 -2.36 -0.11 0.00 0.82 0.00 0.00 66.70 65.05 1g11 h VAL 26 Cb 0.43 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1g11 h VAL 26 CO 0.00 0.74 -0.24 -0.29 0.02 0.00 0.00 177.57 177.79 1g11 h ILE 27 N -0.22 1.30 -0.60 4.57 6.09 -1.18 0.52 117.51 128.00 1g11 h ILE 27 Ca -0.36 -1.40 -0.04 0.00 -1.37 0.00 0.00 64.86 61.70 1g11 h ILE 27 Cb 1.84 1.54 -0.03 0.00 0.47 0.00 0.00 36.82 40.64 1g11 h ILE 27 CO 0.05 0.45 0.23 -0.08 -3.07 0.00 0.00 178.15 175.72 1g11 h GLU 28 N 0.44 0.90 -0.00 2.19 4.22 -1.43 -0.14 114.58 120.75 1g11 h GLU 28 Ca 0.05 -0.17 -0.16 0.00 0.08 0.00 0.00 59.36 59.17 1g11 h GLU 28 Cb 0.80 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1g11 h GLU 28 CO 0.06 0.77 -0.74 1.15 -2.18 0.00 0.00 179.01 178.08 1g11 h THR 29 N 0.83 1.51 0.00 0.32 2.02 -1.42 -2.34 112.91 113.83 1g11 h THR 29 Ca 0.20 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1g11 h THR 29 Cb 0.21 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1g11 h THR 29 CO -0.01 0.71 0.00 0.00 0.37 0.00 0.00 175.52 176.59 1g11 n ALA 30 N -2.41 1.96 -0.01 6.16 0.00 0.18 -2.25 120.51 124.14 1g11 n ALA 30 Ca -0.01 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1g11 n ALA 30 Cb 0.72 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 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 0.21 0.00 0.00 5.08 -0.71 -3.34 114.58 115.82 1g11 h GLU 31 Ca 0.00 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1g11 h GLU 31 Cb 0.55 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1g11 h GLU 31 CO 0.00 1.17 -0.15 -0.84 -1.00 0.00 0.00 179.01 178.19 1g11 h ILE 32 N -0.28 0.95 -0.64 3.13 3.07 -1.36 -2.02 117.51 120.36 1g11 h ILE 32 Ca -0.36 -0.55 0.05 0.00 1.55 0.00 0.00 64.86 65.55 1g11 h ILE 32 Cb 1.79 1.31 -0.05 0.00 -0.27 0.00 0.00 36.82 39.60 1g11 h ILE 32 CO 0.02 0.15 0.36 -0.78 -1.05 0.00 0.00 178.15 176.85 1g11 h ASP 33 N 0.00 0.55 -1.79 2.16 3.58 -1.57 -3.43 116.42 115.92 1g11 h ASP 33 Ca -0.00 0.02 -0.49 0.00 0.42 0.00 0.00 57.03 56.99 1g11 h ASP 33 Cb 0.30 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1g11 h ASP 33 CO 0.02 0.36 -0.42 0.21 -2.88 0.00 0.00 179.24 176.53 1g11 s ASN 34 N -5.60 5.36 -0.34 2.28 3.04 -0.76 -4.98 114.94 113.93 1g11 s ASN 34 Ca -0.13 -0.48 -0.05 0.00 0.04 0.00 0.00 52.86 52.24 1g11 s ASN 34 Cb 0.15 -0.95 -0.16 0.00 -1.54 0.00 0.00 41.25 38.75 1g11 s ASN 34 CO 0.76 -0.41 2.72 -0.81 -3.04 0.00 0.00 177.10 176.32 1g11 n PRO 35 N -1.44 1.84 -2.38 0.43 -0.04 -1.26 -4.64 135.00 127.50 1g11 n PRO 35 Ca -0.01 -1.03 -0.41 0.00 -0.04 0.00 0.00 63.50 62.02 1g11 n PRO 35 Cb 0.60 -2.07 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 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 2.93 5.69 2.07 0.55 0.00 -1.24 -4.79 105.19 110.40 1g11 n GLY 36 Ca 0.39 -2.35 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 0.84 1.98 0.00 1.61 4.01 -1.26 -3.29 118.16 122.05 1g11 n LYS 37 Ca 0.52 -1.31 0.00 0.00 -0.51 0.00 0.00 58.31 57.01 1g11 n LYS 37 Cb 0.26 -1.88 0.00 0.00 -0.51 0.00 0.00 35.03 32.90 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 1.72 0.00 -3.00 1.97 0.28 -1.26 -5.15 120.64 115.20 1g11 n GLU 38 Ca 0.38 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.06 1g11 n GLU 38 Cb 0.73 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.55 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 4.66 -0.23 3.84 -1.09 -1.21 -4.78 121.20 122.40 1g11 s ILE 39 Ca 0.00 0.95 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 1g11 s ILE 39 Cb 0.00 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1g11 s ILE 39 CO 0.00 -0.30 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.43 1g11 s THR 40 N -2.13 1.75 0.03 2.92 2.01 -0.63 -5.02 115.64 114.57 1g11 s THR 40 Ca 0.55 -1.25 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1g11 s THR 40 Cb -0.10 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1g11 s THR 40 CO 0.21 0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.44 1g11 s VAL 41 N 1.32 3.84 -0.40 3.82 1.01 -1.26 0.32 120.40 129.05 1g11 s VAL 41 Ca -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1g11 s VAL 41 Cb -0.18 -2.73 0.16 0.00 0.00 0.00 0.00 36.38 33.63 1g11 s VAL 41 CO -0.07 0.30 0.31 -1.61 0.00 0.00 0.00 175.10 174.04 1g11 s GLU 42 N -1.72 0.81 -0.54 2.72 0.41 0.14 -4.99 118.70 115.52 1g11 s GLU 42 Ca 0.20 -1.87 -0.25 0.00 -0.41 0.00 0.00 54.97 52.64 1g11 s GLU 42 Cb -0.11 -1.34 0.04 0.00 -1.78 0.00 0.00 34.13 30.93 1g11 s GLU 42 CO 0.11 -1.34 0.98 -0.51 -0.49 0.00 0.00 175.26 174.01 1g11 s ASP 43 N 0.36 6.38 -0.09 -0.19 1.01 -1.26 -2.71 116.67 120.17 1g11 s ASP 43 Ca 0.29 -0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.35 1g11 s ASP 43 Cb -0.03 -2.46 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1g11 s ASP 43 CO -0.14 -1.24 -0.00 -0.09 0.21 0.00 0.00 175.17 173.90 1g11 h ARG 44 N 9.31 0.00 0.00 8.23 9.65 -1.94 -3.50 114.38 136.13 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 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1g11 h ARG 44 CO 1.09 0.00 0.00 0.54 2.80 0.00 0.00 179.97 184.40 1g11 n ARG 45 N -4.42 0.00 -0.06 0.20 1.74 -1.26 -4.98 116.66 107.88 1g11 n ARG 45 Ca -0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 1g11 n ARG 45 Cb 0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.55 7.54 0.00 -1.95 -3.44 119.26 119.84 1g11 h ALA 46 Ca 0.00 -0.32 -0.61 0.00 0.00 0.00 0.00 54.91 53.98 1g11 h ALA 46 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1g11 h ALA 46 CO 0.00 -0.02 -0.59 0.71 0.00 0.00 0.00 179.25 179.35 1g11 s TYR 47 N -2.09 2.33 -0.16 0.00 2.02 -1.26 -1.41 117.35 116.78 1g11 s TYR 47 Ca -0.13 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1g11 s TYR 47 Cb -0.02 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1g11 s TYR 47 CO 0.46 0.33 -0.17 0.08 -1.57 0.00 0.00 175.55 174.68 1g11 s VAL 48 N -2.84 2.44 -0.25 0.71 1.01 0.04 -3.46 120.40 118.04 1g11 s VAL 48 Ca 0.31 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1g11 s VAL 48 Cb 0.09 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1g11 s VAL 48 CO 0.16 0.52 -0.10 -0.60 0.00 0.00 0.00 175.10 175.07 1g11 s ARG 49 N 1.00 2.43 0.35 2.72 3.52 -1.10 -1.62 118.95 126.25 1g11 s ARG 49 Ca -0.02 -1.23 0.08 0.00 -0.13 0.00 0.00 55.73 54.44 1g11 s ARG 49 Cb -0.15 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1g11 s ARG 49 CO -0.04 -0.51 0.10 0.42 -0.81 0.00 0.00 175.30 174.47 1g11 s ILE 50 N 1.17 2.84 -0.12 4.11 1.01 -1.12 0.26 121.20 129.35 1g11 s ILE 50 Ca -0.06 -1.78 -0.05 0.00 0.00 0.00 0.00 60.65 58.76 1g11 s ILE 50 Cb -0.19 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.42 1g11 s ILE 50 CO -0.06 -0.17 0.26 0.00 0.00 0.00 0.00 174.94 174.97 1g11 s ALA 51 N -2.47 -0.57 0.29 9.38 0.00 0.15 -3.01 121.76 125.53 1g11 s ALA 51 Ca 0.37 0.97 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1g11 s ALA 51 Cb -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1g11 s ALA 51 CO 0.22 -0.49 -0.08 0.00 0.00 0.00 0.00 175.76 175.41 1g11 s ALA 52 N 2.03 3.01 0.91 0.00 0.00 -0.98 -1.60 121.76 125.13 1g11 s ALA 52 Ca -0.02 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1g11 s ALA 52 Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1g11 s ALA 52 CO -0.09 0.22 0.00 -0.85 0.00 0.00 0.00 175.76 175.05 1g11 n GLU 53 N -0.80 -0.35 0.00 0.00 0.28 -1.26 -0.02 120.64 118.48 1g11 n GLU 53 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1g11 n GLU 53 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1g11 n GLY 54 N 0.00 -2.74 3.62 -1.84 0.00 -0.24 -1.16 105.19 102.82 1g11 n GLY 54 Ca 0.00 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.71 2.55 0.26 1.61 -1.05 -1.26 -2.33 118.70 117.77 1g11 s GLU 55 Ca 0.00 -0.74 -0.04 0.00 -0.15 0.00 0.00 54.97 54.04 1g11 s GLU 55 Cb 0.00 -2.52 -0.02 0.00 -0.44 0.00 0.00 34.13 31.15 1g11 s GLU 55 CO 0.00 0.59 0.31 -0.51 0.95 0.00 0.00 175.26 176.60 1g11 s LEU 56 N -1.62 0.96 -0.16 1.83 1.02 0.17 -4.95 118.68 115.93 1g11 s LEU 56 Ca 0.19 -1.33 -0.08 0.00 0.02 0.00 0.00 54.13 52.93 1g11 s LEU 56 Cb -0.11 1.00 0.06 0.00 0.02 0.00 0.00 46.19 47.16 1g11 s LEU 56 CO 0.10 -1.04 0.39 0.27 0.02 0.00 0.00 176.35 176.08 1g11 s ILE 57 N -3.81 -0.11 0.21 -0.59 -5.25 -1.26 -1.93 121.20 108.46 1g11 s ILE 57 Ca 0.33 0.11 0.11 0.00 -0.99 0.00 0.00 60.65 60.21 1g11 s ILE 57 Cb 0.03 -0.58 -0.05 0.00 2.95 0.00 0.00 42.46 44.81 1g11 s ILE 57 CO 0.15 0.05 -0.21 -0.76 -1.79 0.00 0.00 174.94 172.38 1g11 s LEU 58 N 1.56 2.49 0.00 0.37 1.43 0.48 -4.76 118.68 120.25 1g11 s LEU 58 Ca -0.08 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1g11 s LEU 58 Cb -0.09 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1g11 s LEU 58 CO -0.12 0.04 0.83 0.35 0.23 0.00 0.00 176.35 177.67 1g11 n THR 59 N -0.04 0.00 -0.98 5.49 -2.24 -1.26 -1.85 114.28 113.40 1g11 n THR 59 Ca -0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1g11 n THR 59 Cb 0.58 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.00 1.82 0.12 -0.78 3.00 -1.26 -4.41 116.66 115.15 1g11 n ARG 60 Ca 0.00 -1.36 0.10 0.00 -0.01 0.00 0.00 57.85 56.57 1g11 n ARG 60 Cb 0.63 -1.69 0.46 0.00 0.00 0.00 0.00 32.46 31.87 1g11 n ARG 60 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1g11 n LYS 61 N 1.04 0.13 0.11 5.56 0.00 -1.26 -1.65 118.16 122.10 1g11 n LYS 61 Ca 0.31 0.51 -0.23 0.00 -0.00 0.00 0.00 58.31 58.89 1g11 n LYS 61 Cb 0.61 -1.83 -0.15 0.00 -0.00 0.00 0.00 35.03 33.65 1g11 n LYS 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g11 h THR 62 N 0.00 1.33 -0.29 0.58 1.03 -1.97 -1.60 112.91 111.99 1g11 h THR 62 Ca 0.00 -2.63 -0.05 0.00 -0.01 0.00 0.00 66.41 63.71 1g11 h THR 62 Cb 0.16 3.08 -0.01 0.00 -1.07 0.00 0.00 68.15 70.31 1g11 h THR 62 CO 0.00 0.78 -0.02 0.25 -0.01 0.00 0.00 175.52 176.52 1g11 h LEU 63 N -0.03 0.52 -0.61 0.00 6.46 -1.68 0.10 115.31 120.09 1g11 h LEU 63 Ca -0.23 -0.33 -0.10 0.00 -0.12 0.00 0.00 57.88 57.11 1g11 h LEU 63 Cb 2.00 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 1g11 h LEU 63 CO 0.23 0.73 0.00 -0.33 -0.62 0.00 0.00 178.44 178.45 1g11 h GLU 64 N 0.31 1.07 -0.54 1.25 5.08 -1.53 -1.42 114.58 118.80 1g11 h GLU 64 Ca 0.08 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1g11 h GLU 64 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1g11 h GLU 64 CO 0.02 1.05 0.12 0.93 -1.00 0.00 0.00 179.01 180.13 1g11 h GLU 65 N 0.98 0.88 0.19 2.33 5.08 -1.13 -3.08 114.58 119.83 1g11 h GLU 65 Ca 0.17 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1g11 h GLU 65 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1g11 h GLU 65 CO 0.03 0.83 -0.09 1.96 -1.00 0.00 0.00 179.01 180.74 1g11 h GLN 66 N 0.77 -0.25 -1.88 2.33 1.08 -0.58 1.64 115.11 118.22 1g11 h GLN 66 Ca 0.17 0.02 0.55 0.00 -1.45 0.00 0.00 58.65 57.93 1g11 h GLN 66 Cb 0.35 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.77 1g11 h GLN 66 CO 0.00 -0.12 1.38 -0.07 -0.95 0.00 0.00 178.83 179.07 1g11 h LEU 67 N -0.32 0.00 -5.14 1.46 3.38 -1.17 -2.53 115.31 110.99 1g11 h LEU 67 Ca -0.03 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 1g11 h LEU 67 Cb 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.81 1g11 h LEU 67 CO 0.04 0.00 -0.56 0.61 0.09 0.00 0.00 178.44 178.62 1g11 n GLY 68 N -1.90 0.73 0.28 0.83 0.00 -0.64 -4.99 105.19 99.50 1g11 n GLY 68 Ca 0.42 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 3.50 0.50 -2.78 1.61 3.08 0.28 -2.55 114.38 118.02 1g11 h ARG 69 Ca -0.09 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.58 1g11 h ARG 69 Cb 1.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1g11 h ARG 69 CO 0.27 0.33 1.65 -0.35 -1.07 0.00 0.00 179.97 180.79 1g11 n PRO 70 N -4.95 2.23 -0.85 0.04 -0.04 -1.26 -4.73 135.00 125.44 1g11 n PRO 70 Ca 0.15 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1g11 n PRO 70 Cb 0.41 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 3.33 -0.83 -3.94 0.54 -1.74 -0.96 -5.19 117.46 108.66 1g11 n PHE 71 Ca 0.48 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 57.27 1g11 n PHE 71 Cb 0.42 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.36 1g11 n PHE 71 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1g11 s ASN 72 N -0.52 -0.07 0.55 5.98 4.22 -1.26 -5.02 114.94 118.81 1g11 s ASN 72 Ca 0.00 -0.83 0.26 0.00 -2.14 0.00 0.00 52.86 50.15 1g11 s ASN 72 Cb 0.00 0.53 1.45 0.00 1.28 0.00 0.00 41.25 44.51 1g11 s ASN 72 CO 0.00 -1.03 1.99 0.00 -2.04 0.00 0.00 177.10 176.03 1g11 h MET 73 N 2.36 0.00 -0.99 3.55 -0.00 -2.00 -0.43 114.93 117.41 1g11 h MET 73 Ca -0.29 0.00 0.22 0.00 -0.00 0.00 0.00 59.70 59.63 1g11 h MET 73 Cb 1.24 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.73 1g11 h MET 73 CO 0.41 0.00 0.57 0.37 -0.00 0.00 0.00 176.91 178.26 1g11 h GLN 74 N 0.00 0.62 -0.29 -0.10 4.15 -2.01 0.14 115.11 117.61 1g11 h GLN 74 Ca 0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1g11 h GLN 74 Cb 0.98 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1g11 h GLN 74 CO -0.00 0.41 0.18 0.93 -1.93 0.00 0.00 178.83 178.41 1g11 h GLU 75 N 0.64 0.39 -0.89 1.69 4.39 -1.49 -2.31 114.58 117.00 1g11 h GLU 75 Ca 0.60 -0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.51 1g11 h GLU 75 Cb 1.06 -0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.47 1g11 h GLU 75 CO -0.44 0.30 0.18 -0.07 -1.16 0.00 0.00 179.01 177.82 1g11 h LEU 76 N 0.37 -0.12 -1.29 1.33 3.38 -0.83 2.09 115.31 120.24 1g11 h LEU 76 Ca 0.10 0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.41 1g11 h LEU 76 Cb 0.00 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1g11 h LEU 76 CO -0.02 -0.21 0.56 -0.08 0.09 0.00 0.00 178.44 178.78 1g11 h GLU 77 N 0.15 0.71 0.16 1.13 4.81 -1.19 -1.88 114.58 118.46 1g11 h GLU 77 Ca 0.56 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 59.43 1g11 h GLU 77 Cb 1.14 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.37 1g11 h GLU 77 CO -0.71 0.47 -1.59 -0.84 -0.73 0.00 0.00 179.01 175.61 1g11 h ILE 78 N 0.73 1.00 0.00 2.32 -0.00 0.21 -3.38 117.51 118.38 1g11 h ILE 78 Ca 0.42 -2.47 -0.69 0.00 -0.00 0.00 0.00 64.86 62.12 1g11 h ILE 78 Cb 0.60 2.76 -0.01 0.00 -0.00 0.00 0.00 36.82 40.17 1g11 h ILE 78 CO -0.18 0.79 2.98 0.59 -0.00 0.00 0.00 178.15 182.33 1g11 n ASN 79 N -3.74 3.89 -3.09 2.16 3.02 0.59 -4.79 115.26 113.30 1g11 n ASN 79 Ca -0.24 -2.78 -0.11 0.00 -0.03 0.00 0.00 54.58 51.42 1g11 n ASN 79 Cb 1.00 -1.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.79 0.45 0.09 3.41 2.34 -1.23 -4.75 118.68 120.78 1g11 s LEU 80 Ca 0.51 -1.28 0.00 0.00 0.06 0.00 0.00 54.13 53.41 1g11 s LEU 80 Cb 0.14 2.23 0.00 0.00 -0.56 0.00 0.00 46.19 48.00 1g11 s LEU 80 CO -0.04 -1.51 0.00 0.00 -1.06 0.00 0.00 176.35 173.74 1g11 n ALA 81 N -0.54 2.93 -3.70 1.48 0.00 -0.67 -4.63 120.51 115.37 1g11 n ALA 81 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1g11 n ALA 81 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.81 -0.78 -3.63 0.00 7.64 0.14 -4.95 113.62 109.23 1g11 n SER 82 Ca 0.00 -2.27 -0.01 0.00 1.01 0.00 0.00 58.87 57.60 1g11 n SER 82 Cb 0.00 1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 64.67 1g11 n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1g11 s PHE 83 N -3.47 -1.28 -0.31 1.43 0.08 -1.26 -1.10 117.98 112.08 1g11 s PHE 83 Ca 0.20 2.23 -0.03 0.00 0.12 0.00 0.00 56.93 59.46 1g11 s PHE 83 Cb -0.00 0.77 0.04 0.00 -0.57 0.00 0.00 43.02 43.26 1g11 s PHE 83 CO 0.15 -0.64 2.66 0.00 -0.10 0.00 0.00 175.22 177.29 1g11 n ALA 84 N 5.36 5.91 0.00 5.36 0.00 0.25 -4.86 120.51 132.53 1g11 n ALA 84 Ca -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1g11 n ALA 84 Cb 0.50 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.04 -1.41 3.44 0.00 0.00 -1.26 -3.22 105.19 103.77 1g11 n GLY 85 Ca 0.39 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.94 3.57 -0.07 1.61 1.11 0.19 -4.95 119.66 119.17 1g11 s GLN 86 Ca 0.00 -0.56 0.03 0.00 0.01 0.00 0.00 55.36 54.84 1g11 s GLN 86 Cb 0.00 -2.94 0.01 0.00 -1.01 0.00 0.00 33.01 29.06 1g11 s GLN 86 CO 0.00 0.10 -0.17 0.96 0.01 0.00 0.00 175.29 176.19 1g11 s ILE 87 N 0.74 1.48 0.22 1.08 -0.00 -1.26 -1.09 121.20 122.36 1g11 s ILE 87 Ca -0.02 -0.69 0.06 0.00 -0.00 0.00 0.00 60.65 60.00 1g11 s ILE 87 Cb -0.14 -1.31 -0.05 0.00 -0.00 0.00 0.00 42.46 40.96 1g11 s ILE 87 CO 0.02 0.43 -0.09 0.00 -0.00 0.00 0.00 174.94 175.30 1g11 s GLN 88 N 0.46 1.34 0.08 0.37 1.03 -0.62 -4.98 119.66 117.33 1g11 s GLN 88 Ca -0.14 -1.63 0.09 0.00 0.04 0.00 0.00 55.36 53.72 1g11 s GLN 88 Cb -0.16 -0.94 -0.03 0.00 0.03 0.00 0.00 33.01 31.91 1g11 s GLN 88 CO 0.05 0.07 -0.24 0.00 -2.54 0.00 0.00 175.29 172.63 1g11 s ALA 89 N -3.14 2.40 0.11 2.60 0.00 -1.26 -0.12 121.76 122.36 1g11 s ALA 89 Ca 0.24 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1g11 s ALA 89 Cb 0.02 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1g11 s ALA 89 CO 0.07 0.55 0.12 -3.47 0.00 0.00 0.00 175.76 173.04 1g11 n ASP 90 N 1.38 0.87 -0.18 0.00 -0.08 0.67 -4.91 116.55 114.29 1g11 n ASP 90 Ca -0.17 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1g11 n ASP 90 Cb 0.52 -0.05 0.03 0.00 2.34 0.00 0.00 41.12 43.96 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1g11 n GLU 91 N -1.02 -0.10 -2.87 -0.67 0.28 -1.26 -2.80 120.64 112.21 1g11 n GLU 91 Ca 0.01 0.72 -0.12 0.00 -0.16 0.00 0.00 57.16 57.61 1g11 n GLU 91 Cb 0.12 -1.07 0.03 0.00 1.43 0.00 0.00 31.44 31.95 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 -4.70 -1.74 -3.66 -1.84 5.75 -1.26 -5.13 116.55 103.96 1g11 n ASP 92 Ca 0.05 -3.30 -0.03 0.00 -0.01 0.00 0.00 54.79 51.50 1g11 n ASP 92 Cb 0.20 1.15 -0.01 0.00 -1.03 0.00 0.00 41.12 41.42 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 -0.15 0.87 -0.05 0.11 1.03 -1.12 -4.79 119.66 115.57 1g11 s GLN 93 Ca 0.30 -0.45 -0.02 0.00 0.04 0.00 0.00 55.36 55.24 1g11 s GLN 93 Cb 0.25 0.32 0.03 0.00 0.03 0.00 0.00 33.01 33.64 1g11 s GLN 93 CO -0.14 -0.40 0.04 -1.50 -2.54 0.00 0.00 175.29 170.76 1g11 s ILE 94 N -2.99 0.02 0.31 3.63 2.07 -0.77 -0.24 121.20 123.23 1g11 s ILE 94 Ca 0.11 0.35 0.10 0.00 -1.41 0.00 0.00 60.65 59.80 1g11 s ILE 94 Cb 0.00 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 1g11 s ILE 94 CO -0.02 0.20 -0.09 0.00 -1.91 0.00 0.00 174.94 173.12 1g11 s ARG 95 N 2.11 1.91 0.15 3.50 1.04 0.83 -0.39 118.95 128.10 1g11 s ARG 95 Ca 0.05 -1.74 0.05 0.00 -1.04 0.00 0.00 55.73 53.04 1g11 s ARG 95 Cb -0.12 -1.86 -0.04 0.00 -2.04 0.00 0.00 34.95 30.89 1g11 s ARG 95 CO -0.04 0.25 -0.11 -0.06 -0.04 0.00 0.00 175.30 175.30 1g11 s PHE 96 N -2.50 1.32 -0.30 5.89 0.40 -0.81 -1.59 117.98 120.38 1g11 s PHE 96 Ca 0.32 -0.72 -0.23 0.00 -0.60 0.00 0.00 56.93 55.69 1g11 s PHE 96 Cb -0.02 -0.66 0.19 0.00 0.51 0.00 0.00 43.02 43.04 1g11 s PHE 96 CO 0.17 0.11 1.40 1.52 0.70 0.00 0.00 175.22 179.12 1g11 s TYR 97 N -3.19 -0.07 -0.51 0.36 -0.85 -0.25 0.43 117.35 113.27 1g11 s TYR 97 Ca 0.16 0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 1g11 s TYR 97 Cb 0.02 0.40 0.13 0.00 0.38 0.00 0.00 41.96 42.89 1g11 s TYR 97 CO 0.01 -0.03 0.28 0.12 -1.52 0.00 0.00 175.55 174.41 1g11 s PHE 98 N 0.23 3.40 0.07 -3.49 5.36 -0.98 0.56 117.98 123.12 1g11 s PHE 98 Ca 0.04 -2.91 0.03 0.00 -0.96 0.00 0.00 56.93 53.14 1g11 s PHE 98 Cb -0.04 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1g11 s PHE 98 CO -0.14 -0.84 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.17 1g11 s ASP 99 N 0.48 1.25 0.00 6.13 1.11 -1.26 -3.15 116.67 121.23 1g11 s ASP 99 Ca 0.15 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.20 1g11 s ASP 99 Cb -0.23 0.01 0.00 0.00 1.07 0.00 0.00 42.92 43.78 1g11 s ASP 99 CO -0.03 -0.21 0.00 0.29 1.18 0.00 0.00 175.17 176.40 1g11 n LYS 100 N 1.03 0.00 -2.52 8.23 4.01 -1.13 -4.87 118.16 122.91 1g11 n LYS 100 Ca -0.20 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.18 1g11 n LYS 100 Cb 0.56 -0.03 -0.03 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.00 4.32 -0.15 -0.18 -1.32 -1.26 -5.02 115.64 112.02 1g11 s THR 101 Ca 0.00 1.66 0.01 0.00 -1.21 0.00 0.00 61.69 62.16 1g11 s THR 101 Cb 0.00 -4.07 0.01 0.00 -1.51 0.00 0.00 72.50 66.93 1g11 s THR 101 CO 0.00 0.12 0.54 0.23 -2.21 0.00 0.00 174.62 173.30