#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 0.00-11.89 -3.70 0.44 -1.04 -1.26 -5.06 114.28 91.77 1g11 n THR 2 Ca 0.00 2.41 -0.11 0.00 -2.04 0.00 0.00 64.05 64.31 1g11 n THR 2 Cb 0.00 -6.35 -0.11 0.00 -1.82 0.00 0.00 70.33 62.05 1g11 n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1g11 s LEU 3 N -0.84 0.06 0.22 -4.42 1.02 -1.26 -5.16 118.68 108.29 1g11 s LEU 3 Ca -0.21 0.78 -0.08 0.00 0.02 0.00 0.00 54.13 54.65 1g11 s LEU 3 Cb 0.01 1.17 -0.02 0.00 0.02 0.00 0.00 46.19 47.37 1g11 s LEU 3 CO 0.74 -0.19 0.32 0.00 0.02 0.00 0.00 176.35 177.24 1g11 s ALA 4 N 1.36 0.33 -0.01 4.21 0.00 -1.26 -5.18 121.76 121.21 1g11 s ALA 4 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1g11 s ALA 4 Cb -0.09 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.19 1g11 s ALA 4 CO -0.11 -0.72 0.09 0.34 0.00 0.00 0.00 175.76 175.35 1g11 s ASP 5 N -3.06 0.01 -0.53 0.00 -1.08 -1.26 -5.11 116.67 105.64 1g11 s ASP 5 Ca 0.28 -0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.25 1g11 s ASP 5 Cb 0.03 0.19 0.14 0.00 -1.46 0.00 0.00 42.92 41.82 1g11 s ASP 5 CO 0.09 -0.22 0.30 -1.10 0.52 0.00 0.00 175.17 174.75 1g11 s GLN 6 N -0.83 1.90 -0.64 4.34 -1.52 -1.26 -4.94 119.66 116.71 1g11 s GLN 6 Ca -0.09 -2.61 0.01 0.00 -1.95 0.00 0.00 55.36 50.72 1g11 s GLN 6 Cb -0.05 -3.10 0.39 0.00 -0.22 0.00 0.00 33.01 30.02 1g11 s GLN 6 CO 0.00 -1.15 1.61 0.00 -0.25 0.00 0.00 175.29 175.50 1g11 n ALA 7 N 3.00 5.85 -3.81 6.09 0.00 -1.26 -4.92 120.51 125.45 1g11 n ALA 7 Ca 0.09 -4.15 -0.35 0.00 0.00 0.00 0.00 53.44 49.02 1g11 n ALA 7 Cb 0.33 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.82 4.87 0.00 0.00 1.02 -1.26 -5.03 118.68 114.46 1g11 s LEU 8 Ca 0.51 -1.92 0.00 0.00 0.02 0.00 0.00 54.13 52.74 1g11 s LEU 8 Cb 0.43 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.88 1g11 s LEU 8 CO -0.28 -0.45 0.00 1.57 0.02 0.00 0.00 176.35 177.21 1g11 n HIS 9 N 4.52 0.00 -1.44 0.29 -0.00 -1.26 -4.76 115.22 112.56 1g11 n HIS 9 Ca -0.03 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 57.17 1g11 n HIS 9 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.36 1g11 n HIS 9 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1g11 n ASN 10 N 0.00 -0.69 0.01 0.26 4.13 -1.09 -4.74 115.26 113.14 1g11 n ASN 10 Ca 0.00 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1g11 n ASN 10 Cb 0.00 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 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 -0.11 -3.62 6.41 3.02 -1.25 -4.99 115.26 116.54 1g11 n ASN 11 Ca 0.18 0.02 -0.07 0.00 -0.03 0.00 0.00 54.58 54.69 1g11 n ASN 11 Cb 0.19 0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.03 -0.24 -0.12 6.41 2.20 -1.26 -3.11 114.94 117.79 1g11 s ASN 12 Ca 0.00 0.34 -0.06 0.00 -0.94 0.00 0.00 52.86 52.20 1g11 s ASN 12 Cb 0.00 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.51 1g11 s ASN 12 CO 0.00 -0.17 0.09 0.68 -2.94 0.00 0.00 177.10 174.76 1g11 s VAL 13 N -0.67 5.08 -0.60 3.54 -7.23 0.69 -4.65 120.40 116.56 1g11 s VAL 13 Ca 0.03 0.05 0.05 0.00 -1.81 0.00 0.00 61.98 60.31 1g11 s VAL 13 Cb -0.02 -3.21 0.18 0.00 0.56 0.00 0.00 36.38 33.89 1g11 s VAL 13 CO -0.05 0.58 0.48 0.61 -0.31 0.00 0.00 175.10 176.42 1g11 n GLY 14 N 2.32 3.52 3.75 2.32 0.00 -1.26 -2.52 105.19 113.32 1g11 n GLY 14 Ca -0.19 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 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 -1.15 4.62 -0.09 1.61 0.04 -1.22 -1.20 135.00 137.61 1g11 s PRO 15 Ca 0.30 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1g11 s PRO 15 Cb 0.02 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1g11 s PRO 15 CO -0.16 0.15 -0.15 0.42 0.04 0.00 0.00 177.00 177.31 1g11 s ILE 16 N -0.68 1.38 0.00 0.56 -1.09 -0.53 -2.00 121.20 118.84 1g11 s ILE 16 Ca 0.47 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1g11 s ILE 16 Cb -0.30 -1.25 0.00 0.00 -1.58 0.00 0.00 42.46 39.32 1g11 s ILE 16 CO 0.37 0.41 0.00 2.30 -1.23 0.00 0.00 174.94 176.80 1g11 n ILE 17 N 3.98 0.00 -4.17 2.92 -5.35 -0.09 0.25 119.36 116.90 1g11 n ILE 17 Ca -0.20 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.05 1g11 n ILE 17 Cb 0.52 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.35 1g11 n ILE 17 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1g11 s ARG 18 N 0.69 2.37 -0.55 6.28 0.52 -1.26 -2.33 118.95 124.68 1g11 s ARG 18 Ca 0.00 -1.49 -0.25 0.00 -0.52 0.00 0.00 55.73 53.47 1g11 s ARG 18 Cb 0.00 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.32 1g11 s ARG 18 CO 0.00 0.20 0.99 0.00 0.02 0.00 0.00 175.30 176.51 1g11 s ALA 19 N -2.38 3.14 0.00 2.13 0.00 -0.94 -4.05 121.76 119.66 1g11 s ALA 19 Ca 0.35 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1g11 s ALA 19 Cb -0.04 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1g11 s ALA 19 CO 0.22 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 173.99 1g11 n GLY 20 N 5.08 1.28 0.00 0.00 0.00 -1.26 -4.87 105.19 105.43 1g11 n GLY 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.30 0.00 -1.17 1.61 -0.08 -1.26 -4.94 116.55 110.40 1g11 n ASP 21 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1g11 n ASP 21 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1g11 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1g11 n LEU 22 N 0.00 -1.12 0.05 -2.67 4.77 -1.26 -4.83 117.00 111.94 1g11 n LEU 22 Ca 0.00 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1g11 n LEU 22 Cb 0.00 -2.15 0.51 0.00 -2.33 0.00 0.00 43.42 39.45 1g11 n LEU 22 CO 0.00 -0.70 0.91 0.52 -1.33 0.00 0.00 177.39 176.79 1g11 n VAL 23 N -2.72 0.35 0.08 4.08 0.31 -1.26 -1.98 118.33 117.19 1g11 n VAL 23 Ca -0.15 -0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.03 1g11 n VAL 23 Cb 0.49 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.78 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 5.08 -1.98 -0.51 114.58 122.43 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 0.57 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1g11 h GLU 24 CO 0.00 -0.07 0.00 -0.35 -1.00 0.00 0.00 179.01 177.59 1g11 n PRO 25 N -4.97 0.15 0.06 2.33 -0.04 -1.24 -1.25 135.00 130.03 1g11 n PRO 25 Ca -0.05 0.25 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 1g11 n PRO 25 Cb 0.18 -1.72 -0.15 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.90 -0.11 0.52 2.07 -1.47 -2.69 116.25 115.47 1g11 h VAL 26 Ca 0.00 -2.48 -0.14 0.00 0.82 0.00 0.00 66.70 64.90 1g11 h VAL 26 Cb 0.49 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1g11 h VAL 26 CO 0.00 0.85 -0.49 -0.29 0.02 0.00 0.00 177.57 177.66 1g11 h ILE 27 N 0.07 1.36 -0.58 4.57 6.09 -0.96 0.53 117.51 128.60 1g11 h ILE 27 Ca -0.35 -1.81 -0.04 0.00 -1.37 0.00 0.00 64.86 61.28 1g11 h ILE 27 Cb 2.07 2.17 -0.03 0.00 0.47 0.00 0.00 36.82 41.50 1g11 h ILE 27 CO 0.16 0.54 0.19 -0.08 -3.07 0.00 0.00 178.15 175.89 1g11 h GLU 28 N 0.13 0.87 0.00 2.19 4.22 -1.33 0.23 114.58 120.89 1g11 h GLU 28 Ca -0.03 -0.16 -0.19 0.00 0.08 0.00 0.00 59.36 59.06 1g11 h GLU 28 Cb 1.13 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1g11 h GLU 28 CO 0.10 0.75 -0.99 1.15 -2.18 0.00 0.00 179.01 177.83 1g11 h THR 29 N 0.85 1.33 0.00 0.32 2.02 -1.44 -2.68 112.91 113.31 1g11 h THR 29 Ca 0.19 -2.97 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1g11 h THR 29 Cb 0.24 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1g11 h THR 29 CO -0.01 0.76 0.00 0.00 0.37 0.00 0.00 175.52 176.64 1g11 h ALA 30 N 1.14 1.00 0.16 6.16 0.00 0.61 -2.66 119.26 125.67 1g11 h ALA 30 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1g11 h ALA 30 Cb 1.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1g11 h ALA 30 CO 0.10 0.00 -1.79 0.93 0.00 0.00 0.00 179.25 178.49 1g11 h GLU 31 N 0.00 0.34 -0.28 0.00 4.39 -0.52 -3.34 114.58 115.17 1g11 h GLU 31 Ca 0.00 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.06 1g11 h GLU 31 Cb 0.77 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1g11 h GLU 31 CO 0.00 1.28 -0.09 -0.84 -1.16 0.00 0.00 179.01 178.19 1g11 h ILE 32 N 0.04 1.21 -0.75 3.13 3.07 -1.46 -1.87 117.51 120.88 1g11 h ILE 32 Ca -0.37 -0.92 0.22 0.00 1.55 0.00 0.00 64.86 65.34 1g11 h ILE 32 Cb 2.04 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 39.66 1g11 h ILE 32 CO 0.13 0.30 0.79 -0.78 -1.05 0.00 0.00 178.15 177.54 1g11 h ASP 33 N 0.44 0.00 -2.39 2.16 3.58 -1.59 -3.39 116.42 115.22 1g11 h ASP 33 Ca 0.09 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.93 1g11 h ASP 33 Cb 0.43 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.35 1g11 h ASP 33 CO 0.02 0.00 -0.73 0.20 -2.88 0.00 0.00 179.24 175.85 1g11 s ASN 34 N -4.57 3.92 -0.41 2.28 0.02 -0.70 -5.01 114.94 110.46 1g11 s ASN 34 Ca -0.04 -0.86 -0.06 0.00 -1.02 0.00 0.00 52.86 50.89 1g11 s ASN 34 Cb 0.16 -0.50 -0.16 0.00 0.02 0.00 0.00 41.25 40.78 1g11 s ASN 34 CO 0.55 0.04 2.74 -0.81 0.02 0.00 0.00 177.10 179.65 1g11 n PRO 35 N -0.54 1.95 -2.41 -0.60 -0.04 -1.26 -4.65 135.00 127.44 1g11 n PRO 35 Ca -0.07 -1.10 -0.41 0.00 -0.04 0.00 0.00 63.50 61.88 1g11 n PRO 35 Cb 0.59 -2.12 0.01 0.00 -0.04 0.00 0.00 33.50 31.94 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 2.98 5.66 2.10 0.55 0.00 -1.26 -4.80 105.19 110.42 1g11 n GLY 36 Ca 0.42 -2.37 -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 0.58 0.00 0.00 0.00 173.32 173.90 1g11 n LYS 37 N 0.90 2.12 0.00 1.61 2.85 -1.26 -3.55 118.16 120.83 1g11 n LYS 37 Ca 0.51 -1.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 1g11 n LYS 37 Cb 0.27 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 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 2.21 0.00 -4.76 -1.58 0.28 -1.26 -5.16 120.64 110.37 1g11 n GLU 38 Ca 0.45 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.14 1g11 n GLU 38 Cb 0.83 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.57 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 2.62 -0.27 3.84 1.01 -1.23 -4.40 121.20 122.78 1g11 s ILE 39 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1g11 s ILE 39 Cb 0.00 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.44 1g11 s ILE 39 CO 0.00 0.37 -0.06 -0.89 0.00 0.00 0.00 174.94 174.35 1g11 s THR 40 N -0.87 2.63 0.37 2.92 2.01 0.56 -5.02 115.64 118.24 1g11 s THR 40 Ca 0.14 -1.35 -0.02 0.00 0.31 0.00 0.00 61.69 60.77 1g11 s THR 40 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1g11 s THR 40 CO 0.04 0.04 0.61 -0.69 -0.69 0.00 0.00 174.62 173.92 1g11 s VAL 41 N 1.22 5.04 -0.43 3.82 1.01 -1.26 -0.60 120.40 129.20 1g11 s VAL 41 Ca -0.05 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1g11 s VAL 41 Cb -0.19 -3.84 0.23 0.00 0.00 0.00 0.00 36.38 32.59 1g11 s VAL 41 CO -0.04 -0.58 0.62 -0.62 0.00 0.00 0.00 175.10 174.48 1g11 n GLU 42 N -1.74 0.65 -3.17 2.72 -0.58 -0.34 -4.92 120.64 113.26 1g11 n GLU 42 Ca -0.03 -2.69 -0.43 0.00 -0.42 0.00 0.00 57.16 53.60 1g11 n GLU 42 Cb 0.55 -1.37 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 1g11 n GLU 42 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g11 s ASP 43 N -1.01 6.30 -0.10 1.62 1.01 -1.26 -2.18 116.67 121.05 1g11 s ASP 43 Ca 0.33 -0.33 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 1g11 s ASP 43 Cb 0.16 -2.29 -0.00 0.00 1.01 0.00 0.00 42.92 41.79 1g11 s ASP 43 CO -0.16 -0.68 -0.02 -0.09 0.21 0.00 0.00 175.17 174.43 1g11 h ARG 44 N 8.75 0.00 0.00 8.23 9.65 -1.93 -3.49 114.38 135.59 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 0.85 0.00 0.00 0.54 2.80 0.00 0.00 179.97 184.16 1g11 n ARG 45 N -4.71 0.00 0.19 0.20 5.12 -1.26 -4.92 116.66 111.27 1g11 n ARG 45 Ca -0.01 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.99 1g11 n ARG 45 Cb 0.03 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.47 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 0.87 -2.80 7.54 0.00 -1.96 -3.41 119.26 119.50 1g11 h ALA 46 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1g11 h ALA 46 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 1g11 h ALA 46 CO 0.00 0.27 -0.39 0.71 0.00 0.00 0.00 179.25 179.85 1g11 s TYR 47 N -3.14 1.14 -0.07 0.00 2.02 -1.26 -2.20 117.35 113.84 1g11 s TYR 47 Ca 0.05 -1.31 0.02 0.00 -0.37 0.00 0.00 57.07 55.46 1g11 s TYR 47 Cb 0.06 -0.34 0.01 0.00 -0.40 0.00 0.00 41.96 41.30 1g11 s TYR 47 CO 0.70 -0.89 -0.11 0.08 -1.57 0.00 0.00 175.55 173.75 1g11 s VAL 48 N -3.66 1.09 0.16 0.71 1.01 -0.98 -3.18 120.40 115.55 1g11 s VAL 48 Ca 0.34 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1g11 s VAL 48 Cb 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1g11 s VAL 48 CO 0.18 0.35 -0.14 -0.60 0.00 0.00 0.00 175.10 174.88 1g11 s ARG 49 N 0.78 1.17 0.10 2.72 3.52 -0.93 -0.91 118.95 125.39 1g11 s ARG 49 Ca -0.12 -1.41 -0.08 0.00 -0.13 0.00 0.00 55.73 53.99 1g11 s ARG 49 Cb -0.15 -1.00 -0.01 0.00 -1.56 0.00 0.00 34.95 32.23 1g11 s ARG 49 CO 0.02 0.18 0.17 0.42 -0.81 0.00 0.00 175.30 175.28 1g11 s ILE 50 N -2.57 0.14 -0.30 4.11 1.01 -0.85 -1.20 121.20 121.55 1g11 s ILE 50 Ca 0.15 -1.31 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 1g11 s ILE 50 Cb -0.03 -1.46 0.15 0.00 0.01 0.00 0.00 42.46 41.13 1g11 s ILE 50 CO 0.04 -0.63 0.88 0.00 0.00 0.00 0.00 174.94 175.23 1g11 s ALA 51 N -3.89 -2.41 0.00 9.38 0.00 0.23 -3.42 121.76 121.65 1g11 s ALA 51 Ca 0.08 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1g11 s ALA 51 Cb 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1g11 s ALA 51 CO -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 174.85 1g11 n ALA 52 N 4.87 0.00 -1.10 0.00 0.00 -1.05 -0.33 120.51 122.91 1g11 n ALA 52 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1g11 n ALA 52 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 1g11 n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1g11 n GLU 53 N 0.00 0.00 -1.95 0.00 4.71 -1.26 -0.22 120.64 121.92 1g11 n GLU 53 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.77 1g11 n GLU 53 Cb 0.00 -0.95 0.04 0.00 -1.01 0.00 0.00 31.44 29.52 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1g11 n GLY 54 N 2.73 5.63 2.77 0.62 0.00 -1.18 -2.86 105.19 112.90 1g11 n GLY 54 Ca 0.04 -2.51 -0.01 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.98 0.31 0.38 1.61 2.12 -1.24 -2.01 118.70 115.89 1g11 s GLU 55 Ca 0.53 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.68 1g11 s GLU 55 Cb 0.44 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 1g11 s GLU 55 CO -0.35 -0.41 0.11 -0.51 -0.54 0.00 0.00 175.26 173.56 1g11 s LEU 56 N 1.49 2.00 -0.16 2.70 1.43 0.12 -5.00 118.68 121.26 1g11 s LEU 56 Ca 0.19 -1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 51.55 1g11 s LEU 56 Cb 0.06 -0.14 0.04 0.00 0.03 0.00 0.00 46.19 46.18 1g11 s LEU 56 CO -0.12 -0.86 0.43 -0.51 0.23 0.00 0.00 176.35 175.52 1g11 s ILE 57 N -3.27 0.00 0.18 -0.59 -1.16 -1.26 -2.04 121.20 113.06 1g11 s ILE 57 Ca 0.28 -0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.46 1g11 s ILE 57 Cb 0.04 -0.60 -0.05 0.00 0.61 0.00 0.00 42.46 42.47 1g11 s ILE 57 CO 0.15 -0.00 -0.10 -0.76 -2.81 0.00 0.00 174.94 171.42 1g11 s LEU 58 N 0.21 2.49 0.00 8.50 1.43 0.63 -4.71 118.68 127.22 1g11 s LEU 58 Ca -0.00 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1g11 s LEU 58 Cb -0.03 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1g11 s LEU 58 CO 0.01 -0.32 0.75 0.35 0.23 0.00 0.00 176.35 177.36 1g11 n THR 59 N -0.29 0.00 -0.93 5.49 -2.24 -1.26 -2.27 114.28 112.78 1g11 n THR 59 Ca -0.09 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1g11 n THR 59 Cb 0.61 0.25 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.78 0.30 -0.78 3.00 -1.26 -4.44 116.66 115.26 1g11 n ARG 60 Ca -0.00 -1.41 0.16 0.00 -0.01 0.00 0.00 57.85 56.58 1g11 n ARG 60 Cb 0.60 -1.62 0.93 0.00 0.00 0.00 0.00 32.46 32.36 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 1.71 0.00 -0.06 5.56 -0.00 -1.91 0.65 116.57 122.52 1g11 h LYS 61 Ca 0.26 0.00 -0.18 0.00 -0.00 0.00 0.00 60.65 60.73 1g11 h LYS 61 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 1g11 h LYS 61 CO 0.63 0.00 -0.72 0.00 -0.00 0.00 0.00 179.45 179.36 1g11 h THR 62 N 0.00 1.40 -0.12 0.07 1.03 -1.96 0.13 112.91 113.46 1g11 h THR 62 Ca 0.00 -2.17 -0.06 0.00 -0.01 0.00 0.00 66.41 64.17 1g11 h THR 62 Cb 0.02 2.14 -0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1g11 h THR 62 CO -0.00 0.65 -0.16 0.25 -0.01 0.00 0.00 175.52 176.25 1g11 h LEU 63 N 0.23 0.34 -0.71 0.00 6.46 -1.26 0.92 115.31 121.30 1g11 h LEU 63 Ca -0.03 -0.52 -0.11 0.00 -0.12 0.00 0.00 57.88 57.10 1g11 h LEU 63 Cb 1.29 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1g11 h LEU 63 CO 0.12 0.79 -0.20 -0.33 -0.62 0.00 0.00 178.44 178.20 1g11 h GLU 64 N -0.10 0.78 -0.45 1.25 4.39 -1.32 -1.27 114.58 117.87 1g11 h GLU 64 Ca 0.01 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.29 1g11 h GLU 64 Cb 0.71 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1g11 h GLU 64 CO 0.04 0.92 -0.18 0.93 -1.16 0.00 0.00 179.01 179.56 1g11 h GLU 65 N 0.69 0.91 0.09 2.33 5.08 -0.70 -3.18 114.58 119.79 1g11 h GLU 65 Ca 0.10 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1g11 h GLU 65 Cb 0.71 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1g11 h GLU 65 CO 0.05 1.03 -0.04 1.96 -1.00 0.00 0.00 179.01 181.01 1g11 h GLN 66 N 0.74 -0.12 -1.60 2.33 4.20 -0.63 1.32 115.11 121.35 1g11 h GLN 66 Ca 0.10 0.01 0.46 0.00 0.06 0.00 0.00 58.65 59.29 1g11 h GLN 66 Cb 0.74 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.48 1g11 h GLN 66 CO 0.06 0.06 1.27 -0.07 -0.67 0.00 0.00 178.83 179.47 1g11 h LEU 67 N -0.27 0.00 -5.12 1.46 3.38 -1.21 -2.61 115.31 110.94 1g11 h LEU 67 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.69 1g11 h LEU 67 Cb 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.80 1g11 h LEU 67 CO 0.02 0.00 -0.55 0.61 0.09 0.00 0.00 178.44 178.61 1g11 n GLY 68 N -1.84 0.60 0.28 0.83 0.00 -0.79 -4.99 105.19 99.28 1g11 n GLY 68 Ca 0.36 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 3.58 0.61 -3.43 1.61 3.08 0.21 -2.98 114.38 117.06 1g11 h ARG 69 Ca -0.10 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.37 1g11 h ARG 69 Cb 1.04 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.97 1g11 h ARG 69 CO 0.27 0.40 3.08 -0.35 -1.07 0.00 0.00 179.97 182.31 1g11 n PRO 70 N -4.85 2.68 -0.04 0.04 -0.04 -1.26 -4.72 135.00 126.81 1g11 n PRO 70 Ca 0.13 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1g11 n PRO 70 Cb 0.32 -2.69 0.00 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 4.45 -0.04 -3.29 0.54 -1.74 -1.13 -5.19 117.46 111.06 1g11 n PHE 71 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.47 1g11 n PHE 71 Cb 0.21 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.21 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 -0.04 0.00 0.07 5.98 3.02 -1.26 -5.03 115.26 118.00 1g11 n ASN 72 Ca 0.00 -0.53 0.13 0.00 -0.03 0.00 0.00 54.58 54.15 1g11 n ASN 72 Cb 0.00 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.46 1g11 n ASN 72 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1g11 n MET 73 N 0.00 0.25 0.05 3.52 0.00 -1.26 -3.59 117.12 116.09 1g11 n MET 73 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 57.70 57.86 1g11 n MET 73 Cb 0.00 -1.72 0.39 0.00 0.00 0.00 0.00 33.22 31.89 1g11 n MET 73 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1g11 h GLN 74 N 0.00 0.42 0.00 3.17 4.15 -2.00 -1.04 115.11 119.81 1g11 h GLN 74 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1g11 h GLN 74 Cb 0.72 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1g11 h GLN 74 CO 0.00 0.40 -0.43 0.93 -1.93 0.00 0.00 178.83 177.80 1g11 h GLU 75 N 0.42 0.00 0.18 1.69 5.08 -1.98 -1.87 114.58 118.10 1g11 h GLU 75 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1g11 h GLU 75 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1g11 h GLU 75 CO -0.00 0.43 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.29 1g11 h LEU 76 N 0.00 -0.20 -0.17 1.33 3.38 -1.36 1.50 115.31 119.78 1g11 h LEU 76 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1g11 h LEU 76 Cb 0.83 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1g11 h LEU 76 CO 0.06 -0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 1g11 n GLU 77 N -5.14 0.07 -0.05 1.13 1.02 -1.11 -2.84 120.64 113.72 1g11 n GLU 77 Ca -0.09 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1g11 n GLU 77 Cb 0.16 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 1g11 n GLU 77 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1g11 n ILE 78 N -1.74 1.67 -1.10 -3.67 2.08 -0.71 -4.40 119.36 111.49 1g11 n ILE 78 Ca 0.04 -0.41 -0.33 0.00 0.56 0.00 0.00 62.75 62.61 1g11 n ILE 78 Cb 0.24 -1.84 -0.02 0.00 -0.75 0.00 0.00 39.64 37.26 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 -3.86 5.73 -3.70 4.38 4.13 0.50 -4.76 115.26 117.68 1g11 n ASN 79 Ca -0.34 -2.52 -0.12 0.00 1.68 0.00 0.00 54.58 53.28 1g11 n ASN 79 Cb 0.90 -1.32 -0.07 0.00 -1.54 0.00 0.00 39.78 37.76 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1g11 s LEU 80 N 0.53 0.59 0.00 3.41 0.05 -1.26 -4.61 118.68 117.38 1g11 s LEU 80 Ca 0.53 -0.05 -0.04 0.00 0.05 0.00 0.00 54.13 54.61 1g11 s LEU 80 Cb 0.14 1.58 -0.02 0.00 -2.05 0.00 0.00 46.19 45.84 1g11 s LEU 80 CO -0.03 -0.63 -0.09 0.00 -0.55 0.00 0.00 176.35 175.05 1g11 n ALA 81 N 0.59 2.48 -3.00 1.48 0.00 0.14 -4.81 120.51 117.39 1g11 n ALA 81 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1g11 n ALA 81 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1g11 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g11 n SER 82 N -3.63 0.00 -3.48 0.00 2.88 0.11 -4.97 113.62 104.53 1g11 n SER 82 Ca -0.07 -0.60 -0.12 0.00 -1.33 0.00 0.00 58.87 56.75 1g11 n SER 82 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1g11 n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1g11 s PHE 83 N -6.11 -0.47 -1.22 0.66 0.08 -1.26 -1.46 117.98 108.20 1g11 s PHE 83 Ca 0.00 0.45 0.12 0.00 0.12 0.00 0.00 56.93 57.62 1g11 s PHE 83 Cb 0.00 0.52 0.04 0.00 -0.57 0.00 0.00 43.02 43.00 1g11 s PHE 83 CO 0.00 -0.64 0.76 0.00 -0.10 0.00 0.00 175.22 175.24 1g11 n ALA 84 N 0.01 2.73 -2.73 5.36 0.00 -0.34 -4.93 120.51 120.59 1g11 n ALA 84 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1g11 n ALA 84 Cb 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.83 4.56 3.55 0.00 0.00 -1.26 -4.62 105.19 108.25 1g11 n GLY 85 Ca 0.06 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 3.57 1.82 -0.11 1.61 -1.52 0.10 -4.99 119.66 120.14 1g11 s GLN 86 Ca 0.00 -1.95 -0.08 0.00 -1.95 0.00 0.00 55.36 51.38 1g11 s GLN 86 Cb 0.00 -1.63 0.04 0.00 -0.22 0.00 0.00 33.01 31.20 1g11 s GLN 86 CO 0.00 0.09 0.28 0.96 -0.25 0.00 0.00 175.29 176.37 1g11 s ILE 87 N -2.68 -0.02 0.17 1.08 -5.25 -1.26 -2.04 121.20 111.20 1g11 s ILE 87 Ca 0.33 0.07 0.07 0.00 -0.99 0.00 0.00 60.65 60.13 1g11 s ILE 87 Cb 0.04 -0.41 -0.04 0.00 2.95 0.00 0.00 42.46 45.00 1g11 s ILE 87 CO 0.16 0.03 -0.15 -1.10 -1.79 0.00 0.00 174.94 172.09 1g11 s GLN 88 N 0.78 1.23 0.01 0.37 -1.52 -0.07 -5.01 119.66 115.44 1g11 s GLN 88 Ca -0.05 -1.46 0.05 0.00 -1.95 0.00 0.00 55.36 51.95 1g11 s GLN 88 Cb -0.06 -1.09 -0.02 0.00 -0.22 0.00 0.00 33.01 31.63 1g11 s GLN 88 CO -0.05 0.19 -0.16 0.00 -0.25 0.00 0.00 175.29 175.03 1g11 s ALA 89 N -2.59 1.33 0.45 6.09 0.00 -1.26 0.19 121.76 125.96 1g11 s ALA 89 Ca 0.17 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1g11 s ALA 89 Cb -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1g11 s ALA 89 CO 0.05 0.30 0.47 -3.47 0.00 0.00 0.00 175.76 173.12 1g11 n ASP 90 N 2.37 2.07 -0.24 0.00 -0.08 0.14 -4.93 116.55 115.88 1g11 n ASP 90 Ca -0.16 -2.38 0.05 0.00 -1.51 0.00 0.00 54.79 50.80 1g11 n ASP 90 Cb 0.54 -0.17 0.12 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.75 -0.06 -2.88 -0.67 0.28 -1.26 -2.75 120.64 111.55 1g11 n GLU 91 Ca 0.05 1.05 -0.12 0.00 -0.16 0.00 0.00 57.16 57.98 1g11 n GLU 91 Cb 0.49 -1.59 0.04 0.00 1.43 0.00 0.00 31.44 31.82 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 -5.06 -1.38 -3.67 -1.84 5.75 -1.26 -5.12 116.55 103.96 1g11 n ASP 92 Ca 0.12 -3.42 -0.04 0.00 -0.01 0.00 0.00 54.79 51.44 1g11 n ASP 92 Cb 0.38 1.08 -0.01 0.00 -1.03 0.00 0.00 41.12 41.53 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 -0.53 0.94 -0.05 0.11 -2.07 -1.11 -4.75 119.66 112.20 1g11 s GLN 93 Ca 0.29 -0.48 -0.01 0.00 -1.82 0.00 0.00 55.36 53.33 1g11 s GLN 93 Cb 0.30 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.59 1g11 s GLN 93 CO -0.08 -0.43 0.03 -1.50 -1.32 0.00 0.00 175.29 171.99 1g11 s ILE 94 N -3.06 0.10 0.03 3.63 1.10 -0.96 0.27 121.20 122.31 1g11 s ILE 94 Ca 0.11 0.25 0.07 0.00 -0.51 0.00 0.00 60.65 60.57 1g11 s ILE 94 Cb -0.00 -0.29 -0.03 0.00 0.15 0.00 0.00 42.46 42.29 1g11 s ILE 94 CO -0.01 0.19 -0.18 0.00 -2.11 0.00 0.00 174.94 172.83 1g11 s ARG 95 N 1.79 2.11 0.07 3.50 3.03 0.13 -0.27 118.95 129.31 1g11 s ARG 95 Ca 0.01 -0.96 0.08 0.00 2.03 0.00 0.00 55.73 56.89 1g11 s ARG 95 Cb -0.12 -2.21 -0.04 0.00 -1.03 0.00 0.00 34.95 31.55 1g11 s ARG 95 CO -0.03 0.55 -0.17 -0.06 -1.13 0.00 0.00 175.30 174.45 1g11 s PHE 96 N -0.91 2.57 0.06 5.89 0.40 -0.86 -0.89 117.98 124.23 1g11 s PHE 96 Ca 0.14 -0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 55.96 1g11 s PHE 96 Cb -0.11 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.09 1g11 s PHE 96 CO 0.05 0.31 0.85 1.52 0.70 0.00 0.00 175.22 178.65 1g11 s TYR 97 N -1.01 -0.33 -0.50 0.36 1.13 -0.87 0.11 117.35 116.24 1g11 s TYR 97 Ca 0.16 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 56.00 1g11 s TYR 97 Cb -0.11 0.57 0.16 0.00 -1.10 0.00 0.00 41.96 41.48 1g11 s TYR 97 CO 0.07 -0.66 0.35 0.12 -2.51 0.00 0.00 175.55 172.92 1g11 s PHE 98 N -3.27 1.99 -0.04 -3.49 5.36 -0.85 0.02 117.98 117.69 1g11 s PHE 98 Ca 0.06 -2.59 -0.03 0.00 -0.96 0.00 0.00 56.93 53.41 1g11 s PHE 98 Cb -0.01 -1.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.02 1g11 s PHE 98 CO -0.07 -0.74 0.10 -0.51 -1.46 0.00 0.00 175.22 172.54 1g11 s ASP 99 N -0.22 -0.08 0.85 6.13 1.01 -1.26 -2.67 116.67 120.43 1g11 s ASP 99 Ca 0.26 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1g11 s ASP 99 Cb -0.08 0.15 0.00 0.00 1.01 0.00 0.00 42.92 44.01 1g11 s ASP 99 CO -0.12 -0.08 0.00 2.29 0.21 0.00 0.00 175.17 177.46 1g11 n LYS 100 N 3.57 -0.11 -1.04 8.23 2.85 -1.26 -4.86 118.16 125.53 1g11 n LYS 100 Ca -0.19 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.73 1g11 n LYS 100 Cb 0.56 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1g11 n THR 101 N -1.85 0.48 1.13 0.58 5.66 -1.26 -5.05 114.28 113.97 1g11 n THR 101 Ca 0.00 -0.40 0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1g11 n THR 101 Cb 0.00 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 68.99 1g11 n THR 101 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25