#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 -0.00 0.91 6.66 2.01 -1.26 -5.16 115.64 118.81 1g11 s THR 2 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1g11 s THR 2 Cb 0.00 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.59 1g11 s THR 2 CO 0.00 0.00 0.61 0.18 -0.69 0.00 0.00 174.62 174.72 1g11 n LEU 3 N 2.75 0.88 -4.81 4.42 4.32 -1.26 -5.01 117.00 118.29 1g11 n LEU 3 Ca -0.14 0.39 -0.22 0.00 -0.02 0.00 0.00 56.01 56.02 1g11 n LEU 3 Cb 0.55 -1.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.02 1g11 n LEU 3 CO 0.03 -3.17 -0.11 0.00 -1.22 0.00 0.00 177.39 172.93 1g11 s ALA 4 N -2.37 3.76 0.00 -1.18 0.00 -1.26 -5.13 121.76 115.58 1g11 s ALA 4 Ca 0.61 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1g11 s ALA 4 Cb -0.23 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1g11 s ALA 4 CO 0.64 -0.06 0.00 -3.47 0.00 0.00 0.00 175.76 172.86 1g11 n ASP 5 N -1.33 0.00 -3.68 0.00 2.03 -1.26 -5.16 116.55 107.15 1g11 n ASP 5 Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1g11 n ASP 5 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 1g11 n ASP 5 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1g11 s GLN 6 N -2.00 0.23 -0.25 -0.67 0.74 -1.26 -5.01 119.66 111.44 1g11 s GLN 6 Ca 0.00 0.79 0.05 0.00 0.05 0.00 0.00 55.36 56.26 1g11 s GLN 6 Cb 0.00 0.05 0.19 0.00 1.10 0.00 0.00 33.01 34.35 1g11 s GLN 6 CO 0.00 -0.24 1.08 0.00 -0.55 0.00 0.00 175.29 175.57 1g11 n ALA 7 N 5.07 -0.31 -2.46 1.58 0.00 -1.26 -5.15 120.51 117.98 1g11 n ALA 7 Ca -0.12 -0.61 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1g11 n ALA 7 Cb 0.51 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.24 3.23 0.00 0.00 1.43 -1.26 -4.87 118.68 114.98 1g11 s LEU 8 Ca 0.07 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1g11 s LEU 8 Cb 0.20 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1g11 s LEU 8 CO -0.05 -0.40 0.00 1.57 0.23 0.00 0.00 176.35 177.69 1g11 n HIS 9 N -1.22 0.00 -1.71 0.29 -0.00 -1.26 -4.92 115.22 106.40 1g11 n HIS 9 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1g11 n HIS 9 Cb 0.62 -1.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.29 1g11 n HIS 9 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1g11 n ASN 10 N -0.76 -8.91 0.00 0.26 3.02 -1.26 -5.01 115.26 102.59 1g11 n ASN 10 Ca 0.00 1.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 1g11 n ASN 10 Cb 0.36 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1g11 n ASN 11 N 0.04 0.00 -3.66 6.41 3.02 -1.25 -5.03 115.26 114.79 1g11 n ASN 11 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1g11 n ASN 11 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.77 -0.08 6.41 2.20 -1.11 -4.48 114.94 119.11 1g11 s ASN 12 Ca 0.00 1.28 -0.05 0.00 -0.94 0.00 0.00 52.86 53.15 1g11 s ASN 12 Cb 0.00 1.28 -0.04 0.00 -2.00 0.00 0.00 41.25 40.50 1g11 s ASN 12 CO 0.00 -0.22 0.12 0.68 -2.94 0.00 0.00 177.10 174.74 1g11 s VAL 13 N 1.78 5.21 -0.44 3.54 -7.23 -0.99 -4.87 120.40 117.39 1g11 s VAL 13 Ca -0.09 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.11 1g11 s VAL 13 Cb -0.07 -3.30 0.15 0.00 0.56 0.00 0.00 36.38 33.71 1g11 s VAL 13 CO -0.17 0.54 0.28 -0.83 -0.31 0.00 0.00 175.10 174.61 1g11 s GLY 14 N -1.24 1.52 -0.00 2.32 0.00 -1.26 -1.72 107.32 106.94 1g11 s GLY 14 Ca 0.18 -2.52 -0.30 0.00 0.00 0.00 0.00 44.72 42.07 1g11 s GLY 14 CO 0.07 1.74 1.20 2.56 0.00 0.00 0.00 173.10 178.67 1g11 s PRO 15 N 0.28 4.39 -0.21 2.90 0.04 -1.24 -2.33 135.00 138.82 1g11 s PRO 15 Ca 0.21 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1g11 s PRO 15 Cb -0.16 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1g11 s PRO 15 CO -0.05 -0.36 -0.15 0.42 0.04 0.00 0.00 177.00 176.90 1g11 s ILE 16 N 1.71 2.34 0.19 0.56 -1.09 0.25 -2.41 121.20 122.76 1g11 s ILE 16 Ca 0.57 -1.02 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1g11 s ILE 16 Cb -0.27 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1g11 s ILE 16 CO 0.25 0.38 0.09 0.27 -1.23 0.00 0.00 174.94 174.70 1g11 s ILE 17 N 1.28 0.27 1.21 2.92 -4.36 -0.62 0.23 121.20 122.13 1g11 s ILE 17 Ca 0.02 -1.98 -0.18 0.00 -0.26 0.00 0.00 60.65 58.26 1g11 s ILE 17 Cb -0.15 -2.37 0.27 0.00 1.25 0.00 0.00 42.46 41.46 1g11 s ILE 17 CO -0.09 -0.18 0.61 -2.11 0.24 0.00 0.00 174.94 173.41 1g11 n ARG 18 N -0.27 -3.47 -4.48 0.37 1.85 -1.26 0.24 116.66 109.63 1g11 n ARG 18 Ca -0.01 -1.03 -0.28 0.00 -1.00 0.00 0.00 57.85 55.52 1g11 n ARG 18 Cb 0.65 -1.67 -0.09 0.00 -1.05 0.00 0.00 32.46 30.30 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 -2.09 3.52 0.00 2.89 0.00 -1.19 -2.67 121.76 122.23 1g11 s ALA 19 Ca 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1g11 s ALA 19 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1g11 s ALA 19 CO 0.42 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1g11 n GLY 20 N -1.13 0.77 0.00 0.00 0.00 -1.26 -4.97 105.19 98.60 1g11 n GLY 20 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.95 1.61 -0.08 -1.26 -4.92 116.55 110.95 1g11 n ASP 21 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1g11 n ASP 21 Cb 0.00 0.00 0.18 0.00 2.34 0.00 0.00 41.12 43.64 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 -0.40 2.70 -0.00 -2.67 4.77 -1.26 -3.72 117.00 116.43 1g11 n LEU 22 Ca 0.00 -1.36 0.14 0.00 -0.03 0.00 0.00 56.01 54.76 1g11 n LEU 22 Cb 0.00 -0.43 0.61 0.00 -2.33 0.00 0.00 43.42 41.26 1g11 n LEU 22 CO 0.00 0.46 0.94 0.52 -1.33 0.00 0.00 177.39 177.98 1g11 n VAL 23 N 0.43 0.00 0.05 4.08 0.31 -1.26 -2.24 118.33 119.70 1g11 n VAL 23 Ca 0.13 -0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 1g11 n VAL 23 Cb 0.53 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.23 0.00 5.55 5.08 -1.99 -0.15 114.58 122.84 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 0.50 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1g11 h GLU 24 CO 0.00 0.03 0.00 -1.00 -1.00 0.00 0.00 179.01 177.04 1g11 h PRO 25 N -1.01 0.00 0.04 2.33 0.13 -1.85 -1.57 132.00 130.07 1g11 h PRO 25 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 1g11 h PRO 25 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1g11 h PRO 25 CO 0.04 0.00 -0.87 0.28 -0.23 0.00 0.00 178.00 177.22 1g11 h VAL 26 N 0.00 1.27 -0.62 1.56 2.07 -1.53 -2.91 116.25 116.10 1g11 h VAL 26 Ca 0.00 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.14 1g11 h VAL 26 Cb 0.57 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 1g11 h VAL 26 CO 0.00 0.55 0.17 -0.29 0.02 0.00 0.00 177.57 178.02 1g11 h ILE 27 N -0.75 1.25 -0.51 4.57 6.09 -0.99 0.28 117.51 127.45 1g11 h ILE 27 Ca -0.21 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.41 1g11 h ILE 27 Cb 1.37 0.64 -0.02 0.00 0.47 0.00 0.00 36.82 39.28 1g11 h ILE 27 CO -0.04 0.33 0.33 -0.08 -3.07 0.00 0.00 178.15 175.62 1g11 h GLU 28 N 0.89 0.68 -0.17 2.19 4.22 -1.43 -0.77 114.58 120.19 1g11 h GLU 28 Ca 0.20 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.46 1g11 h GLU 28 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1g11 h GLU 28 CO -0.00 0.46 -0.46 1.15 -2.18 0.00 0.00 179.01 177.98 1g11 h THR 29 N 0.69 1.32 -0.19 0.32 2.02 -1.27 -2.55 112.91 113.24 1g11 h THR 29 Ca 0.19 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1g11 h THR 29 Cb -0.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1g11 h THR 29 CO -0.04 0.51 -0.02 0.00 0.37 0.00 0.00 175.52 176.34 1g11 h ALA 30 N 1.16 1.61 -0.04 6.16 0.00 0.17 -0.06 119.26 128.27 1g11 h ALA 30 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1g11 h ALA 30 Cb 0.94 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1g11 h ALA 30 CO 0.08 0.29 -0.05 0.93 0.00 0.00 0.00 179.25 180.50 1g11 h GLU 31 N 0.27 0.10 0.00 0.00 4.39 -0.78 -2.71 114.58 115.85 1g11 h GLU 31 Ca 0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1g11 h GLU 31 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1g11 h GLU 31 CO 0.01 0.60 0.00 0.44 -1.16 0.00 0.00 179.01 178.89 1g11 n ILE 32 N -4.75 1.15 0.99 3.13 -5.35 -0.99 -0.63 119.36 112.91 1g11 n ILE 32 Ca -0.08 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 62.83 1g11 n ILE 32 Cb 0.30 -1.12 0.35 0.00 -1.74 0.00 0.00 39.64 37.43 1g11 n ILE 32 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1g11 n ASP 33 N -1.60 0.37 -4.31 7.28 2.03 -0.07 -4.86 116.55 115.39 1g11 n ASP 33 Ca 0.03 -0.04 -0.20 0.00 0.52 0.00 0.00 54.79 55.10 1g11 n ASP 33 Cb 0.14 0.04 -0.11 0.00 -0.72 0.00 0.00 41.12 40.48 1g11 n ASP 33 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1g11 s ASN 34 N -3.03 2.44 0.00 1.67 3.04 0.20 -4.78 114.94 114.47 1g11 s ASN 34 Ca 0.12 -0.88 0.24 0.00 0.04 0.00 0.00 52.86 52.37 1g11 s ASN 34 Cb 0.18 -0.12 1.33 0.00 -1.54 0.00 0.00 41.25 41.09 1g11 s ASN 34 CO 0.65 -0.10 1.78 -0.81 -3.04 0.00 0.00 177.10 175.58 1g11 n PRO 35 N 0.23 0.60 -1.17 0.43 -0.04 -1.26 -4.05 135.00 129.75 1g11 n PRO 35 Ca -0.13 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1g11 n PRO 35 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1g11 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g11 n GLY 36 N 0.55 3.54 2.80 0.55 0.00 -1.26 -4.78 105.19 106.59 1g11 n GLY 36 Ca 0.15 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 2.59 1.72 -2.65 1.61 0.00 -1.26 -3.53 118.16 116.63 1g11 n LYS 37 Ca 0.54 -1.48 -0.03 0.00 -0.00 0.00 0.00 58.31 57.34 1g11 n LYS 37 Cb 0.68 -2.55 0.06 0.00 -0.00 0.00 0.00 35.03 33.22 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1g11 n GLU 38 N 5.14 0.06 -4.26 -1.58 0.28 -1.26 -5.16 120.64 113.85 1g11 n GLU 38 Ca 0.42 -0.58 -0.28 0.00 -0.16 0.00 0.00 57.16 56.57 1g11 n GLU 38 Cb 0.20 -0.03 -0.09 0.00 1.43 0.00 0.00 31.44 32.95 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 0.01 3.31 -0.28 3.84 -1.09 -1.23 -4.92 121.20 120.84 1g11 s ILE 39 Ca 0.13 -1.52 -0.02 0.00 -2.23 0.00 0.00 60.65 57.01 1g11 s ILE 39 Cb 0.19 -2.61 0.04 0.00 -1.58 0.00 0.00 42.46 38.49 1g11 s ILE 39 CO -0.14 -0.05 -0.03 -0.89 -1.23 0.00 0.00 174.94 172.61 1g11 s THR 40 N -1.56 2.98 0.06 2.92 2.01 -1.13 -5.00 115.64 115.91 1g11 s THR 40 Ca 0.24 -1.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 1g11 s THR 40 Cb -0.09 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1g11 s THR 40 CO 0.15 0.05 0.22 -0.69 -0.69 0.00 0.00 174.62 173.66 1g11 s VAL 41 N 1.30 5.37 -0.35 3.82 1.01 -1.26 -0.42 120.40 129.87 1g11 s VAL 41 Ca -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1g11 s VAL 41 Cb -0.18 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.70 1g11 s VAL 41 CO -0.02 0.14 0.19 -1.61 0.00 0.00 0.00 175.10 173.80 1g11 s GLU 42 N -2.50 0.62 -0.46 2.72 2.02 0.70 -4.99 118.70 116.81 1g11 s GLU 42 Ca 0.35 -1.29 -0.22 0.00 0.02 0.00 0.00 54.97 53.83 1g11 s GLU 42 Cb -0.13 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.64 1g11 s GLU 42 CO 0.27 -1.16 0.71 -0.51 0.02 0.00 0.00 175.26 174.60 1g11 s ASP 43 N 1.16 6.34 0.00 -0.19 1.11 -1.26 -2.45 116.67 121.38 1g11 s ASP 43 Ca 0.16 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.56 1g11 s ASP 43 Cb -0.22 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1g11 s ASP 43 CO -0.07 -0.87 0.00 -1.14 1.18 0.00 0.00 175.17 174.27 1g11 n ARG 44 N 6.50 0.00 0.00 8.23 3.00 -1.17 -5.05 116.66 128.17 1g11 n ARG 44 Ca -0.01 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1g11 n ARG 44 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 32.46 32.10 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 -1.78 0.00 0.06 -0.14 1.74 -1.26 -4.95 116.66 110.33 1g11 n ARG 45 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1g11 n ARG 45 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 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 0.31 -2.64 7.54 0.00 -1.97 -3.44 119.26 119.05 1g11 h ALA 46 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 54.91 53.68 1g11 h ALA 46 Cb 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 1g11 h ALA 46 CO 0.00 1.18 -0.45 0.71 0.00 0.00 0.00 179.25 180.69 1g11 s TYR 47 N -2.64 0.82 -0.10 0.00 2.02 -1.26 -3.14 117.35 113.05 1g11 s TYR 47 Ca -0.06 -1.11 0.03 0.00 -0.37 0.00 0.00 57.07 55.57 1g11 s TYR 47 Cb 0.08 -0.28 0.01 0.00 -0.40 0.00 0.00 41.96 41.36 1g11 s TYR 47 CO 0.85 -0.73 -0.21 0.08 -1.57 0.00 0.00 175.55 173.97 1g11 s VAL 48 N -4.09 1.83 0.05 0.71 1.01 0.14 -3.05 120.40 117.00 1g11 s VAL 48 Ca 0.30 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1g11 s VAL 48 Cb 0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1g11 s VAL 48 CO 0.09 0.51 -0.19 0.00 0.00 0.00 0.00 175.10 175.50 1g11 s ARG 49 N 0.55 1.24 0.36 2.72 1.70 -1.02 -1.59 118.95 122.90 1g11 s ARG 49 Ca -0.15 -0.92 0.05 0.00 -0.47 0.00 0.00 55.73 54.24 1g11 s ARG 49 Cb -0.17 -1.34 -0.07 0.00 -0.57 0.00 0.00 34.95 32.80 1g11 s ARG 49 CO 0.05 0.34 0.04 0.42 -1.08 0.00 0.00 175.30 175.07 1g11 s ILE 50 N -0.86 1.42 -0.30 4.99 1.01 -1.01 -0.22 121.20 126.24 1g11 s ILE 50 Ca 0.06 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.68 1g11 s ILE 50 Cb -0.09 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.65 1g11 s ILE 50 CO 0.02 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.09 1g11 s ALA 51 N -3.10 0.81 0.41 9.38 0.00 0.45 -3.73 121.76 125.97 1g11 s ALA 51 Ca 0.35 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1g11 s ALA 51 Cb 0.09 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1g11 s ALA 51 CO 0.16 -1.68 0.55 0.00 0.00 0.00 0.00 175.76 174.79 1g11 s ALA 52 N 1.95 4.46 -0.01 0.00 0.00 -0.70 -2.85 121.76 124.61 1g11 s ALA 52 Ca 0.10 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 1g11 s ALA 52 Cb -0.17 -1.60 -0.20 0.00 0.00 0.00 0.00 23.12 21.15 1g11 s ALA 52 CO -0.33 -0.24 1.16 1.49 0.00 0.00 0.00 175.76 177.84 1g11 h GLU 53 N 0.70 0.27 0.00 0.00 4.22 -1.86 -2.63 114.58 115.27 1g11 h GLU 53 Ca -0.41 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 58.81 1g11 h GLU 53 Cb 1.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1g11 h GLU 53 CO 0.47 0.87 0.00 0.41 -2.18 0.00 0.00 179.01 178.57 1g11 n GLY 54 N 0.72 -1.30 3.56 1.92 0.00 -1.26 -2.75 105.19 106.08 1g11 n GLY 54 Ca -0.09 0.48 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1g11 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g11 s GLU 55 N 0.00 3.67 0.24 1.61 2.02 -1.26 -2.39 118.70 122.60 1g11 s GLU 55 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1g11 s GLU 55 Cb 0.00 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1g11 s GLU 55 CO 0.00 -0.60 0.33 1.28 0.02 0.00 0.00 175.26 176.29 1g11 n LEU 56 N 5.69 0.00 -3.81 1.80 4.77 0.90 -4.99 117.00 121.36 1g11 n LEU 56 Ca -0.05 -2.00 -0.09 0.00 -0.03 0.00 0.00 56.01 53.84 1g11 n LEU 56 Cb 0.49 1.71 -0.07 0.00 -2.33 0.00 0.00 43.42 43.22 1g11 n LEU 56 CO 0.44 -0.45 -0.05 0.27 -1.33 0.00 0.00 177.39 176.28 1g11 s ILE 57 N -2.72 0.13 -0.07 -0.08 -5.25 -1.26 -1.70 121.20 110.25 1g11 s ILE 57 Ca 0.21 -1.03 -0.04 0.00 -0.99 0.00 0.00 60.65 58.80 1g11 s ILE 57 Cb -0.01 -1.25 0.04 0.00 2.95 0.00 0.00 42.46 44.19 1g11 s ILE 57 CO 0.15 -0.57 0.17 -0.76 -1.79 0.00 0.00 174.94 172.14 1g11 s LEU 58 N -2.74 0.75 -0.13 0.37 1.43 0.12 -4.85 118.68 113.63 1g11 s LEU 58 Ca 0.03 0.35 0.15 0.00 -1.03 0.00 0.00 54.13 53.62 1g11 s LEU 58 Cb 0.04 0.46 0.33 0.00 0.03 0.00 0.00 46.19 47.05 1g11 s LEU 58 CO -0.10 -0.14 1.17 0.35 0.23 0.00 0.00 176.35 177.85 1g11 n THR 59 N 4.05 1.59 0.05 5.49 -2.24 -1.26 -1.27 114.28 120.70 1g11 n THR 59 Ca -0.24 -2.28 -0.10 0.00 -2.27 0.00 0.00 64.05 59.15 1g11 n THR 59 Cb 0.53 -0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.83 1g11 n THR 59 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1g11 n ARG 60 N -0.91 1.57 0.21 -0.78 -4.01 -1.26 -4.29 116.66 107.19 1g11 n ARG 60 Ca 0.14 -1.28 0.12 0.00 -1.04 0.00 0.00 57.85 55.79 1g11 n ARG 60 Cb 0.73 -1.51 0.70 0.00 -3.04 0.00 0.00 32.46 29.34 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 -3.04 0.00 0.00 177.63 176.16 1g11 h LYS 61 N 0.46 0.00 -0.18 2.89 5.09 -1.85 0.13 116.57 123.11 1g11 h LYS 61 Ca 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.91 1g11 h LYS 61 Cb 1.78 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 34.11 1g11 h LYS 61 CO 0.47 0.00 -0.27 0.00 -2.09 0.00 0.00 179.45 177.56 1g11 h THR 62 N 0.00 1.34 -0.51 0.07 1.03 -1.93 0.51 112.91 113.43 1g11 h THR 62 Ca 0.06 -1.48 -0.10 0.00 -0.01 0.00 0.00 66.41 64.88 1g11 h THR 62 Cb 0.24 1.88 -0.02 0.00 -1.07 0.00 0.00 68.15 69.18 1g11 h THR 62 CO -0.00 0.45 -0.08 0.25 -0.01 0.00 0.00 175.52 176.13 1g11 h LEU 63 N 0.14 0.91 -0.32 0.00 6.46 -1.55 0.29 115.31 121.24 1g11 h LEU 63 Ca 0.02 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 1g11 h LEU 63 Cb 0.84 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1g11 h LEU 63 CO 0.06 1.01 -0.16 -0.33 -0.62 0.00 0.00 178.44 178.41 1g11 h GLU 64 N 0.83 0.00 0.20 1.25 4.39 -0.76 -1.91 114.58 118.58 1g11 h GLU 64 Ca 0.14 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 1g11 h GLU 64 Cb 0.60 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1g11 h GLU 64 CO 0.04 0.16 -1.51 0.93 -1.16 0.00 0.00 179.01 177.46 1g11 h GLU 65 N 0.00 0.42 -0.09 2.33 4.39 0.63 -3.34 114.58 118.93 1g11 h GLU 65 Ca -0.00 -0.72 -0.05 0.00 0.34 0.00 0.00 59.36 58.92 1g11 h GLU 65 Cb 1.01 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1g11 h GLU 65 CO 0.02 1.33 -0.16 1.96 -1.16 0.00 0.00 179.01 181.00 1g11 h GLN 66 N 0.11 0.26 -1.17 2.33 4.20 -0.45 0.31 115.11 120.71 1g11 h GLN 66 Ca -0.25 -0.16 0.34 0.00 0.06 0.00 0.00 58.65 58.63 1g11 h GLN 66 Cb 2.10 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.85 1g11 h GLN 66 CO 0.23 0.75 1.07 -0.07 -0.67 0.00 0.00 178.83 180.14 1g11 h LEU 67 N -0.19 0.00 -5.22 1.46 3.38 -1.48 -2.54 115.31 110.73 1g11 h LEU 67 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1g11 h LEU 67 Cb 0.73 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.28 1g11 h LEU 67 CO 0.04 0.00 -0.61 0.61 0.09 0.00 0.00 178.44 178.56 1g11 n GLY 68 N -1.74 0.94 0.28 0.83 0.00 -1.11 -4.99 105.19 99.42 1g11 n GLY 68 Ca 0.26 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 3.49 0.40 -3.56 1.61 3.08 0.06 -2.88 114.38 116.60 1g11 h ARG 69 Ca -0.08 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.39 1g11 h ARG 69 Cb 1.04 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.01 1g11 h ARG 69 CO 0.28 0.27 3.01 -0.35 -1.07 0.00 0.00 179.97 182.11 1g11 n PRO 70 N -5.03 2.58 0.00 0.04 -0.04 -1.26 -4.70 135.00 126.58 1g11 n PRO 70 Ca 0.16 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1g11 n PRO 70 Cb 0.46 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 4.82 0.00 -3.78 0.54 -1.74 -1.09 -5.19 117.46 111.02 1g11 n PHE 71 Ca 0.57 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 57.36 1g11 n PHE 71 Cb 0.24 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.24 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 -1.34 -0.01 5.98 3.02 -1.26 -5.07 115.26 116.58 1g11 n ASN 72 Ca 0.00 -2.32 -0.21 0.00 -0.03 0.00 0.00 54.58 52.02 1g11 n ASN 72 Cb 0.00 2.35 -0.14 0.00 -0.61 0.00 0.00 39.78 41.38 1g11 n ASN 72 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1g11 n MET 73 N -0.42 0.74 0.22 3.52 2.81 -1.26 -3.95 117.12 118.78 1g11 n MET 73 Ca -0.03 0.30 0.18 0.00 -1.81 0.00 0.00 57.70 56.34 1g11 n MET 73 Cb 0.44 -1.71 0.80 0.00 -0.71 0.00 0.00 33.22 32.04 1g11 n MET 73 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1g11 h GLN 74 N -0.05 0.00 0.00 0.03 4.15 -2.02 1.56 115.11 118.79 1g11 h GLN 74 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1g11 h GLN 74 Cb 1.96 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.65 1g11 h GLN 74 CO 0.05 0.00 -0.30 -0.85 -1.93 0.00 0.00 178.83 175.80 1g11 n GLU 75 N -3.35 0.00 -0.04 1.69 0.28 -1.25 -3.73 120.64 114.24 1g11 n GLU 75 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.93 1g11 n GLU 75 Cb 0.47 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.75 1g11 n GLU 75 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1g11 h LEU 76 N 0.00 -0.03 0.03 -1.84 3.38 0.21 -2.96 115.31 114.10 1g11 h LEU 76 Ca 0.00 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.38 1g11 h LEU 76 Cb 0.50 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1g11 h LEU 76 CO 0.00 0.74 -0.26 1.05 0.09 0.00 0.00 178.44 180.05 1g11 h GLU 77 N -0.96 -0.34 -0.25 1.13 9.09 -1.64 0.33 114.58 121.95 1g11 h GLU 77 Ca -0.00 0.02 0.07 0.00 0.05 0.00 0.00 59.36 59.50 1g11 h GLU 77 Cb 0.63 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.80 1g11 h GLU 77 CO 0.01 -0.22 0.54 -0.84 0.05 0.00 0.00 179.01 178.54 1g11 h ILE 78 N -0.35 0.13 -1.10 -1.06 -0.00 -1.73 -2.75 117.51 110.65 1g11 h ILE 78 Ca 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 64.86 64.12 1g11 h ILE 78 Cb 0.36 0.51 -0.13 0.00 -0.00 0.00 0.00 36.82 37.57 1g11 h ILE 78 CO -0.16 0.00 2.33 0.59 -0.00 0.00 0.00 178.15 180.91 1g11 n ASN 79 N -3.17 5.65 -3.96 2.16 3.02 0.12 -4.88 115.26 114.19 1g11 n ASN 79 Ca 0.04 -3.06 -0.09 0.00 -0.03 0.00 0.00 54.58 51.44 1g11 n ASN 79 Cb 0.66 -1.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.24 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 -0.21 2.09 -0.24 3.41 0.05 -1.04 -4.77 118.68 117.96 1g11 s LEU 80 Ca 0.44 -0.45 -0.05 0.00 0.05 0.00 0.00 54.13 54.12 1g11 s LEU 80 Cb 0.12 0.23 -0.13 0.00 -2.05 0.00 0.00 46.19 44.37 1g11 s LEU 80 CO -0.03 -0.32 -0.26 0.00 -0.55 0.00 0.00 176.35 175.18 1g11 n ALA 81 N 1.53 1.44 -3.90 1.48 0.00 -0.79 -4.93 120.51 115.34 1g11 n ALA 81 Ca -0.23 -0.99 -0.01 0.00 0.00 0.00 0.00 53.44 52.21 1g11 n ALA 81 Cb 0.55 0.07 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1g11 n ALA 81 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1g11 s SER 82 N -6.75 -0.00 0.36 0.00 0.01 0.14 -4.98 113.70 102.48 1g11 s SER 82 Ca -0.33 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 1g11 s SER 82 Cb 0.11 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.72 1g11 s SER 82 CO 0.49 -0.66 0.75 -0.36 0.41 0.00 0.00 173.24 173.86 1g11 s PHE 83 N -2.16 0.14 0.00 2.43 0.08 -1.26 -0.58 117.98 116.62 1g11 s PHE 83 Ca 0.24 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1g11 s PHE 83 Cb -0.01 0.74 0.00 0.00 -0.57 0.00 0.00 43.02 43.17 1g11 s PHE 83 CO 0.02 -1.47 0.92 0.00 -0.10 0.00 0.00 175.22 174.60 1g11 n ALA 84 N -0.52 1.93 -3.00 5.36 0.00 -0.98 -4.88 120.51 118.42 1g11 n ALA 84 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1g11 n ALA 84 Cb 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 1.66 3.86 0.00 0.00 -1.26 -4.39 105.19 105.06 1g11 n GLY 85 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.51 3.16 -0.06 1.61 1.11 -1.16 -4.97 119.66 118.85 1g11 s GLN 86 Ca 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 55.36 54.70 1g11 s GLN 86 Cb 0.00 -2.85 0.04 0.00 -1.01 0.00 0.00 33.01 29.19 1g11 s GLN 86 CO 0.00 0.55 0.13 0.96 0.01 0.00 0.00 175.29 176.94 1g11 s ILE 87 N -1.58 -0.05 0.21 1.08 -5.25 -1.26 -2.07 121.20 112.29 1g11 s ILE 87 Ca 0.32 0.17 0.05 0.00 -0.99 0.00 0.00 60.65 60.21 1g11 s ILE 87 Cb -0.12 -0.22 -0.05 0.00 2.95 0.00 0.00 42.46 45.02 1g11 s ILE 87 CO 0.25 0.07 -0.06 0.00 -1.79 0.00 0.00 174.94 173.42 1g11 s GLN 88 N 1.10 1.30 0.08 0.37 -2.07 -0.88 -5.00 119.66 114.56 1g11 s GLN 88 Ca -0.09 -1.62 0.09 0.00 -1.82 0.00 0.00 55.36 51.92 1g11 s GLN 88 Cb -0.11 -0.78 -0.03 0.00 -1.09 0.00 0.00 33.01 31.00 1g11 s GLN 88 CO -0.05 0.01 -0.23 0.00 -1.32 0.00 0.00 175.29 173.70 1g11 s ALA 89 N -3.26 1.95 0.30 2.60 0.00 -1.26 0.23 121.76 122.33 1g11 s ALA 89 Ca 0.25 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1g11 s ALA 89 Cb 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1g11 s ALA 89 CO 0.07 0.43 0.17 -3.47 0.00 0.00 0.00 175.76 172.96 1g11 n ASP 90 N 1.41 2.20 -0.18 0.00 -0.08 0.17 -4.95 116.55 115.12 1g11 n ASP 90 Ca -0.18 -2.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.98 1g11 n ASP 90 Cb 0.53 0.04 0.03 0.00 2.34 0.00 0.00 41.12 44.06 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 -1.10 -0.09 -2.83 -0.67 0.28 -1.26 -2.87 120.64 112.10 1g11 n GLU 91 Ca -0.04 0.72 -0.11 0.00 -0.16 0.00 0.00 57.16 57.57 1g11 n GLU 91 Cb 0.36 -1.07 0.04 0.00 1.43 0.00 0.00 31.44 32.20 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1g11 n ASP 92 N -4.70 -2.06 -3.61 -1.84 9.92 -1.26 -5.13 116.55 107.87 1g11 n ASP 92 Ca 0.05 -3.33 0.02 0.00 -0.53 0.00 0.00 54.79 51.01 1g11 n ASP 92 Cb 0.20 1.36 -0.00 0.00 -0.64 0.00 0.00 41.12 42.04 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g11 s GLN 93 N 0.09 0.32 -0.06 -1.24 1.03 -1.14 -4.73 119.66 113.94 1g11 s GLN 93 Ca 0.30 -0.18 0.01 0.00 0.04 0.00 0.00 55.36 55.54 1g11 s GLN 93 Cb 0.25 0.11 0.02 0.00 0.03 0.00 0.00 33.01 33.42 1g11 s GLN 93 CO -0.16 -0.15 -0.07 -1.50 -2.54 0.00 0.00 175.29 170.87 1g11 s ILE 94 N -2.34 0.77 0.37 3.63 2.07 -0.39 0.41 121.20 125.72 1g11 s ILE 94 Ca 0.14 -0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1g11 s ILE 94 Cb 0.05 -0.76 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 1g11 s ILE 94 CO -0.04 0.28 0.10 -0.13 -1.91 0.00 0.00 174.94 173.23 1g11 s ARG 95 N 0.87 2.17 0.01 3.50 0.52 0.14 0.16 118.95 126.32 1g11 s ARG 95 Ca -0.11 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.33 1g11 s ARG 95 Cb -0.15 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 1g11 s ARG 95 CO 0.01 0.02 -0.04 -0.06 0.02 0.00 0.00 175.30 175.26 1g11 s PHE 96 N -2.55 0.32 -0.29 -0.53 0.40 -0.69 -2.06 117.98 112.58 1g11 s PHE 96 Ca 0.38 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1g11 s PHE 96 Cb 0.02 -0.21 0.19 0.00 0.51 0.00 0.00 43.02 43.53 1g11 s PHE 96 CO 0.21 -0.03 0.61 1.52 0.70 0.00 0.00 175.22 178.23 1g11 s TYR 97 N -0.39 -1.70 0.50 0.36 1.13 -0.88 -0.07 117.35 116.30 1g11 s TYR 97 Ca -0.02 1.36 0.34 0.00 -1.41 0.00 0.00 57.07 57.34 1g11 s TYR 97 Cb -0.03 0.43 1.47 0.00 -1.10 0.00 0.00 41.96 42.73 1g11 s TYR 97 CO -0.00 -0.96 1.73 0.35 -2.51 0.00 0.00 175.55 174.15 1g11 h PHE 98 N 7.99 0.22 -2.13 -3.49 3.04 -1.70 -3.06 116.94 117.82 1g11 h PHE 98 Ca -0.12 0.01 -0.62 0.00 3.98 0.00 0.00 57.97 61.22 1g11 h PHE 98 Cb 1.18 -0.06 0.11 0.00 2.56 0.00 0.00 35.95 39.74 1g11 h PHE 98 CO 0.18 -0.02 -0.04 -0.25 -2.02 0.00 0.00 178.31 176.15 1g11 n ASP 99 N -4.32 0.64 0.00 0.41 9.92 -1.26 -4.22 116.55 117.72 1g11 n ASP 99 Ca 0.31 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.72 1g11 n ASP 99 Cb 1.33 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.77 0.00 -2.69 -1.24 4.01 -1.26 -4.41 118.16 113.34 1g11 n LYS 100 Ca 0.12 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.49 1g11 n LYS 100 Cb 0.31 -0.31 -0.03 0.00 -0.51 0.00 0.00 35.03 34.48 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 -0.78 4.08 -1.61 -0.18 -1.32 -1.26 -5.09 115.64 109.48 1g11 s THR 101 Ca 0.00 0.34 0.13 0.00 -1.21 0.00 0.00 61.69 60.95 1g11 s THR 101 Cb 0.00 -4.73 0.10 0.00 -1.51 0.00 0.00 72.50 66.36 1g11 s THR 101 CO 0.00 -1.47 0.91 1.15 -2.21 0.00 0.00 174.62 173.00