#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 0.55 -3.63 2.46 -2.24 -1.26 -5.04 114.28 105.12 1g11 n THR 2 Ca 0.00 -0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 1g11 n THR 2 Cb 0.00 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 67.23 1g11 n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1g11 s LEU 3 N -4.76 -0.96 0.00 3.22 1.02 -1.26 -5.17 118.68 110.77 1g11 s LEU 3 Ca 0.66 1.44 0.00 0.00 0.02 0.00 0.00 54.13 56.24 1g11 s LEU 3 Cb -0.25 2.26 0.00 0.00 0.02 0.00 0.00 46.19 48.22 1g11 s LEU 3 CO 0.59 -0.22 0.00 0.00 0.02 0.00 0.00 176.35 176.74 1g11 n ALA 4 N 4.71 0.00 -3.84 4.21 0.00 -1.26 -5.13 120.51 119.21 1g11 n ALA 4 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1g11 n ALA 4 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1g11 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g11 s ASP 5 N -1.00 -0.04 -0.01 0.00 2.15 -1.26 -5.19 116.67 111.33 1g11 s ASP 5 Ca 0.00 -0.46 -0.26 0.00 0.43 0.00 0.00 52.55 52.27 1g11 s ASP 5 Cb 0.00 0.38 0.06 0.00 -0.30 0.00 0.00 42.92 43.06 1g11 s ASP 5 CO 0.00 -0.74 0.57 0.00 -0.17 0.00 0.00 175.17 174.83 1g11 s GLN 6 N -2.39 1.00 -0.19 4.34 -2.07 -1.26 -5.06 119.66 114.03 1g11 s GLN 6 Ca 0.20 0.02 0.07 0.00 -1.82 0.00 0.00 55.36 53.83 1g11 s GLN 6 Cb -0.01 0.46 0.23 0.00 -1.09 0.00 0.00 33.01 32.61 1g11 s GLN 6 CO 0.02 -0.33 1.11 0.00 -1.32 0.00 0.00 175.29 174.77 1g11 n ALA 7 N 0.77 1.14 -2.68 2.60 0.00 -1.26 -5.15 120.51 115.94 1g11 n ALA 7 Ca -0.19 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 1g11 n ALA 7 Cb 0.58 -0.66 0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.88 0.00 -1.32 0.00 4.32 -1.26 -5.00 117.00 112.85 1g11 n LEU 8 Ca -0.12 -1.53 0.17 0.00 -0.02 0.00 0.00 56.01 54.52 1g11 n LEU 8 Cb 0.72 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1g11 n LEU 8 CO -0.10 -0.77 -0.34 1.41 -1.22 0.00 0.00 177.39 176.37 1g11 n HIS 9 N -2.20 -3.39 -1.35 -1.77 8.25 -1.26 -4.85 115.22 108.64 1g11 n HIS 9 Ca 0.11 1.74 -0.29 0.00 -0.26 0.00 0.00 57.72 59.02 1g11 n HIS 9 Cb 0.40 -3.08 0.16 0.00 1.12 0.00 0.00 29.99 28.60 1g11 n HIS 9 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1g11 s ASN 10 N -6.91 2.88 0.00 0.41 2.20 -1.19 -4.46 114.94 107.87 1g11 s ASN 10 Ca 0.00 1.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.93 1g11 s ASN 10 Cb 0.00 -1.59 0.00 0.00 -2.00 0.00 0.00 41.25 37.66 1g11 s ASN 10 CO 0.00 -2.95 0.00 0.59 -2.94 0.00 0.00 177.10 171.80 1g11 n ASN 11 N -4.03 0.00 -3.78 3.54 3.02 -1.26 -4.93 115.26 107.81 1g11 n ASN 11 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 1g11 n ASN 11 Cb 0.58 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.28 0.48 6.41 4.22 -1.26 -2.85 114.94 123.67 1g11 s ASN 12 Ca 0.00 0.54 0.02 0.00 -2.14 0.00 0.00 52.86 51.27 1g11 s ASN 12 Cb 0.00 0.54 -0.01 0.00 1.28 0.00 0.00 41.25 43.06 1g11 s ASN 12 CO 0.00 -0.09 0.05 0.68 -2.04 0.00 0.00 177.10 175.69 1g11 s VAL 13 N 0.16 0.94 -0.47 3.54 -7.23 0.15 -4.71 120.40 112.78 1g11 s VAL 13 Ca -0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1g11 s VAL 13 Cb -0.02 -2.19 0.19 0.00 0.56 0.00 0.00 36.38 34.92 1g11 s VAL 13 CO 0.00 0.00 0.68 -0.83 -0.31 0.00 0.00 175.10 174.64 1g11 s GLY 14 N -3.80 -1.22 -0.05 2.32 0.00 -1.26 -2.57 107.32 100.74 1g11 s GLY 14 Ca 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 1g11 s GLY 14 CO 0.06 3.63 1.23 2.56 0.00 0.00 0.00 173.10 180.59 1g11 s PRO 15 N 1.28 4.34 -0.19 2.90 0.04 -1.21 -2.46 135.00 139.70 1g11 s PRO 15 Ca 0.24 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1g11 s PRO 15 Cb -0.02 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1g11 s PRO 15 CO -0.06 -0.48 -0.09 0.42 0.04 0.00 0.00 177.00 176.84 1g11 s ILE 16 N 2.29 3.16 0.24 0.56 -1.09 -0.36 -1.95 121.20 124.04 1g11 s ILE 16 Ca 0.57 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1g11 s ILE 16 Cb -0.26 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1g11 s ILE 16 CO 0.22 0.47 0.15 0.27 -1.23 0.00 0.00 174.94 174.82 1g11 s ILE 17 N 1.08 0.12 1.07 2.92 -4.36 -0.21 -0.05 121.20 121.77 1g11 s ILE 17 Ca 0.01 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 1g11 s ILE 17 Cb -0.15 -2.52 0.23 0.00 1.25 0.00 0.00 42.46 41.27 1g11 s ILE 17 CO -0.02 0.00 1.07 0.00 0.24 0.00 0.00 174.94 176.24 1g11 s ARG 18 N -4.01 -0.19 0.20 0.37 1.70 -1.26 0.31 118.95 116.07 1g11 s ARG 18 Ca 0.39 0.54 0.07 0.00 -0.47 0.00 0.00 55.73 56.25 1g11 s ARG 18 Cb 0.06 -1.66 -0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1g11 s ARG 18 CO 0.15 -3.16 0.11 0.00 -1.08 0.00 0.00 175.30 171.32 1g11 s ALA 19 N -2.82 3.44 0.00 7.88 0.00 -1.02 -3.04 121.76 126.21 1g11 s ALA 19 Ca 0.67 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1g11 s ALA 19 Cb -0.20 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1g11 s ALA 19 CO 0.60 0.40 0.00 0.41 0.00 0.00 0.00 175.76 177.17 1g11 n GLY 20 N -0.59 0.59 0.00 0.00 0.00 -1.26 -4.92 105.19 99.02 1g11 n GLY 20 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.90 1.61 2.03 -1.26 -4.93 116.55 113.10 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 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 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 3.89 0.00 -2.67 4.32 -1.26 -4.45 117.00 116.83 1g11 n LEU 22 Ca 0.00 -3.07 0.13 0.00 -0.02 0.00 0.00 56.01 53.05 1g11 n LEU 22 Cb 0.00 -0.55 0.58 0.00 -1.62 0.00 0.00 43.42 41.83 1g11 n LEU 22 CO 0.00 0.71 0.93 0.52 -1.22 0.00 0.00 177.39 178.33 1g11 n VAL 23 N -0.58 0.16 0.01 4.08 0.31 -1.26 -2.01 118.33 119.04 1g11 n VAL 23 Ca 0.22 0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.55 1g11 n VAL 23 Cb 0.90 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 33.22 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 -0.13 0.00 5.55 4.39 -1.99 -0.59 114.58 121.81 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 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1g11 h GLU 24 CO 0.00 0.05 0.00 -0.35 -1.16 0.00 0.00 179.01 177.55 1g11 n PRO 25 N -4.85 0.08 -0.05 2.33 -0.04 -1.24 -1.56 135.00 129.66 1g11 n PRO 25 Ca -0.03 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1g11 n PRO 25 Cb 0.12 -1.62 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.82 -0.31 0.52 2.07 -1.50 -2.97 116.25 114.88 1g11 h VAL 26 Ca 0.00 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 1g11 h VAL 26 Cb 0.43 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1g11 h VAL 26 CO 0.00 0.56 -0.16 -0.29 0.02 0.00 0.00 177.57 177.70 1g11 h ILE 27 N -0.55 1.25 -0.14 4.57 6.09 -1.05 0.55 117.51 128.23 1g11 h ILE 27 Ca -0.37 -1.13 -0.04 0.00 -1.37 0.00 0.00 64.86 61.95 1g11 h ILE 27 Cb 1.61 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 40.08 1g11 h ILE 27 CO -0.08 0.37 -0.06 -0.08 -3.07 0.00 0.00 178.15 175.23 1g11 h GLU 28 N 0.50 0.28 0.00 2.19 4.22 -1.44 -0.21 114.58 120.12 1g11 h GLU 28 Ca 0.09 -0.12 -0.10 0.00 0.08 0.00 0.00 59.36 59.30 1g11 h GLU 28 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1g11 h GLU 28 CO 0.04 0.60 -0.50 1.15 -2.18 0.00 0.00 179.01 178.12 1g11 h THR 29 N -0.06 1.20 0.00 0.32 2.02 -1.35 -2.21 112.91 112.83 1g11 h THR 29 Ca 0.03 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1g11 h THR 29 Cb 0.51 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1g11 h THR 29 CO 0.02 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.39 1g11 h ALA 30 N 1.50 1.00 0.14 6.16 0.00 0.24 -2.73 119.26 125.58 1g11 h ALA 30 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1g11 h ALA 30 Cb 0.97 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1g11 h ALA 30 CO 0.06 0.00 -1.67 0.93 0.00 0.00 0.00 179.25 178.57 1g11 h GLU 31 N 0.00 0.30 -0.02 0.00 5.08 -0.48 -3.19 114.58 116.28 1g11 h GLU 31 Ca 0.00 -0.52 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 1g11 h GLU 31 Cb 0.74 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1g11 h GLU 31 CO 0.00 1.18 -0.46 -0.84 -1.00 0.00 0.00 179.01 177.89 1g11 h ILE 32 N 0.08 1.33 0.00 3.13 3.07 -1.37 -2.19 117.51 121.57 1g11 h ILE 32 Ca -0.30 -1.60 -0.08 0.00 1.55 0.00 0.00 64.86 64.42 1g11 h ILE 32 Cb 2.05 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 40.44 1g11 h ILE 32 CO 0.16 0.46 -0.39 -0.78 -1.05 0.00 0.00 178.15 176.56 1g11 h ASP 33 N 0.03 0.00 -2.65 2.16 1.82 -1.58 -3.44 116.42 112.76 1g11 h ASP 33 Ca -0.00 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.16 1g11 h ASP 33 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1g11 h ASP 33 CO 0.06 0.39 -0.26 0.21 -1.61 0.00 0.00 179.24 178.02 1g11 s ASN 34 N -6.55 6.31 0.00 2.28 3.04 -0.82 -4.97 114.94 114.23 1g11 s ASN 34 Ca -0.01 0.35 0.24 0.00 0.04 0.00 0.00 52.86 53.48 1g11 s ASN 34 Cb 0.12 -1.99 1.44 0.00 -1.54 0.00 0.00 41.25 39.28 1g11 s ASN 34 CO 0.69 -0.21 1.80 -0.81 -3.04 0.00 0.00 177.10 175.53 1g11 n PRO 35 N -1.57 0.75 -1.06 0.43 -0.04 -1.26 -4.10 135.00 128.15 1g11 n PRO 35 Ca -0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 1g11 n PRO 35 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.51 3.28 2.24 0.55 0.00 -1.26 -4.71 105.19 105.80 1g11 n GLY 36 Ca 0.18 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 2.78 2.87 -2.65 1.61 2.85 -1.26 -3.45 118.16 120.91 1g11 n LYS 37 Ca 0.51 -1.66 -0.03 0.00 -1.05 0.00 0.00 58.31 56.08 1g11 n LYS 37 Cb 0.73 -2.46 -0.04 0.00 -0.65 0.00 0.00 35.03 32.62 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 3.27 0.00 -4.27 -1.58 0.28 -1.26 -5.16 120.64 111.92 1g11 n GLU 38 Ca 0.61 -0.50 -0.29 0.00 -0.16 0.00 0.00 57.16 56.82 1g11 n GLU 38 Cb 0.45 -0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.21 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 3.12 -0.29 3.84 1.01 -1.22 -4.68 121.20 122.97 1g11 s ILE 39 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.19 1g11 s ILE 39 Cb 0.01 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 40.05 1g11 s ILE 39 CO -0.00 0.07 0.02 -0.89 0.00 0.00 0.00 174.94 174.13 1g11 s THR 40 N -1.26 3.33 0.22 2.92 2.01 0.12 -5.01 115.64 117.97 1g11 s THR 40 Ca 0.20 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 1g11 s THR 40 Cb -0.11 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1g11 s THR 40 CO 0.12 0.04 0.46 -0.69 -0.69 0.00 0.00 174.62 173.86 1g11 s VAL 41 N 1.37 5.09 -0.51 3.82 1.01 -1.26 -0.73 120.40 129.19 1g11 s VAL 41 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1g11 s VAL 41 Cb -0.18 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.69 1g11 s VAL 41 CO -0.01 -0.15 0.39 -0.62 0.00 0.00 0.00 175.10 174.72 1g11 n GLU 42 N -0.46 0.71 -2.34 2.72 -0.58 0.64 -4.95 120.64 116.37 1g11 n GLU 42 Ca -0.02 -3.59 -0.42 0.00 -0.42 0.00 0.00 57.16 52.71 1g11 n GLU 42 Cb 0.53 -1.87 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 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 -0.43 6.07 -0.01 1.62 1.11 -1.26 -2.69 116.67 121.08 1g11 s ASP 43 Ca 0.30 0.38 -0.00 0.00 0.18 0.00 0.00 52.55 53.42 1g11 s ASP 43 Cb 0.01 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 1g11 s ASP 43 CO -0.19 -1.74 -0.00 -0.09 1.18 0.00 0.00 175.17 174.33 1g11 h ARG 44 N 11.41 0.00 0.00 8.23 9.65 -1.92 -3.50 114.38 138.25 1g11 h ARG 44 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 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 1.17 0.00 0.00 0.54 2.80 0.00 0.00 179.97 184.48 1g11 n ARG 45 N -2.17 0.00 0.09 0.20 1.74 -1.26 -4.96 116.66 110.30 1g11 n ARG 45 Ca -0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1g11 n ARG 45 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.03 -2.29 7.54 0.00 -1.96 -3.46 119.26 119.12 1g11 h ALA 46 Ca 0.00 -1.00 -0.32 0.00 0.00 0.00 0.00 54.91 53.58 1g11 h ALA 46 Cb 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 1g11 h ALA 46 CO 0.00 0.83 -0.64 0.71 0.00 0.00 0.00 179.25 180.15 1g11 s TYR 47 N -2.56 1.39 -0.20 0.00 1.51 -1.26 -2.44 117.35 113.79 1g11 s TYR 47 Ca -0.14 -1.07 -0.04 0.00 -1.01 0.00 0.00 57.07 54.81 1g11 s TYR 47 Cb 0.04 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1g11 s TYR 47 CO 0.87 -0.24 -0.03 0.08 -1.11 0.00 0.00 175.55 175.12 1g11 s VAL 48 N -3.66 3.64 0.19 0.71 1.01 0.15 -3.29 120.40 119.15 1g11 s VAL 48 Ca 0.30 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.96 1g11 s VAL 48 Cb 0.07 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1g11 s VAL 48 CO 0.08 0.44 -0.12 -0.60 0.00 0.00 0.00 175.10 174.90 1g11 s ARG 49 N 1.10 1.96 0.17 2.72 3.52 -1.09 -1.05 118.95 126.29 1g11 s ARG 49 Ca 0.02 -1.35 -0.06 0.00 -0.13 0.00 0.00 55.73 54.21 1g11 s ARG 49 Cb -0.15 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1g11 s ARG 49 CO 0.00 0.42 0.22 0.42 -0.81 0.00 0.00 175.30 175.55 1g11 s ILE 50 N -1.78 0.05 -0.29 4.11 1.01 -0.82 -0.26 121.20 123.22 1g11 s ILE 50 Ca 0.25 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 1g11 s ILE 50 Cb -0.08 -2.08 0.13 0.00 0.01 0.00 0.00 42.46 40.44 1g11 s ILE 50 CO 0.15 -0.24 0.92 0.00 0.00 0.00 0.00 174.94 175.77 1g11 s ALA 51 N -4.03 -2.15 0.00 9.38 0.00 0.09 -3.29 121.76 121.75 1g11 s ALA 51 Ca 0.24 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.41 1g11 s ALA 51 Cb 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1g11 s ALA 51 CO 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.46 1g11 n ALA 52 N 3.62 0.00 -1.17 0.00 0.00 -1.06 -0.70 120.51 121.19 1g11 n ALA 52 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.91 1g11 n ALA 52 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.11 1g11 n ALA 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1g11 n GLU 53 N 0.00 0.19 -2.12 0.00 0.00 -1.26 0.30 120.64 117.75 1g11 n GLU 53 Ca 0.00 0.11 -0.39 0.00 0.00 0.00 0.00 57.16 56.88 1g11 n GLU 53 Cb 0.00 -1.86 -0.00 0.00 0.00 0.00 0.00 31.44 29.57 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g11 n GLY 54 N 1.58 5.42 2.85 -1.84 0.00 -1.13 -4.12 105.19 107.94 1g11 n GLY 54 Ca 0.09 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.31 0.17 0.32 1.61 2.12 -1.25 -1.17 118.70 118.18 1g11 s GLU 55 Ca 0.50 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.86 1g11 s GLU 55 Cb 0.22 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1g11 s GLU 55 CO -0.14 -0.26 0.20 -0.51 -0.54 0.00 0.00 175.26 174.02 1g11 s LEU 56 N 2.17 1.69 -0.10 2.70 1.43 0.14 -4.99 118.68 121.72 1g11 s LEU 56 Ca 0.17 -1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 1g11 s LEU 56 Cb 0.02 0.34 0.04 0.00 0.03 0.00 0.00 46.19 46.61 1g11 s LEU 56 CO -0.16 -0.97 0.39 0.27 0.23 0.00 0.00 176.35 176.11 1g11 s ILE 57 N -3.55 0.02 -0.02 -0.59 -5.25 -1.26 -1.77 121.20 108.78 1g11 s ILE 57 Ca 0.37 -0.15 0.03 0.00 -0.99 0.00 0.00 60.65 59.90 1g11 s ILE 57 Cb 0.04 -0.61 0.00 0.00 2.95 0.00 0.00 42.46 44.84 1g11 s ILE 57 CO 0.21 -0.08 -0.09 -0.76 -1.79 0.00 0.00 174.94 172.42 1g11 s LEU 58 N -0.36 1.83 0.00 0.37 1.43 0.09 -4.92 118.68 117.12 1g11 s LEU 58 Ca -0.05 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1g11 s LEU 58 Cb -0.03 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1g11 s LEU 58 CO 0.02 0.08 0.98 0.35 0.23 0.00 0.00 176.35 178.01 1g11 n THR 59 N 3.21 0.00 -0.39 5.49 -2.24 -1.26 -1.82 114.28 117.27 1g11 n THR 59 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1g11 n THR 59 Cb 0.55 0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.00 1.63 0.17 -0.78 0.00 -1.26 -4.44 116.66 111.98 1g11 n ARG 60 Ca 0.00 -1.36 0.18 0.00 -0.00 0.00 0.00 57.85 56.67 1g11 n ARG 60 Cb 0.69 -1.53 0.73 0.00 -0.00 0.00 0.00 32.46 32.35 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 0.91 0.00 -0.01 2.89 5.09 -1.89 0.46 116.57 124.01 1g11 h LYS 61 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.01 1g11 h LYS 61 Cb 1.39 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.72 1g11 h LYS 61 CO 0.58 0.00 -0.00 0.00 -2.09 0.00 0.00 179.45 177.94 1g11 h THR 62 N 0.00 1.31 -0.09 0.07 1.03 -1.92 0.49 112.91 113.79 1g11 h THR 62 Ca 0.14 -0.92 -0.22 0.00 -0.01 0.00 0.00 66.41 65.39 1g11 h THR 62 Cb 1.07 1.92 0.01 0.00 -1.07 0.00 0.00 68.15 70.07 1g11 h THR 62 CO -0.00 0.24 -0.82 0.25 -0.01 0.00 0.00 175.52 175.18 1g11 h LEU 63 N -0.36 0.77 -1.15 0.00 6.46 -1.00 -2.19 115.31 117.84 1g11 h LEU 63 Ca 0.00 -0.53 -0.08 0.00 -0.12 0.00 0.00 57.88 57.15 1g11 h LEU 63 Cb 0.40 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1g11 h LEU 63 CO 0.00 1.32 -0.29 -0.33 -0.62 0.00 0.00 178.44 178.52 1g11 h GLU 64 N 0.42 0.22 -0.16 1.25 4.39 -0.27 -0.39 114.58 120.04 1g11 h GLU 64 Ca -0.06 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1g11 h GLU 64 Cb 1.44 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1g11 h GLU 64 CO 0.16 0.50 -0.33 0.93 -1.16 0.00 0.00 179.01 179.11 1g11 h GLU 65 N 0.20 0.51 -0.06 2.33 4.39 0.09 -3.24 114.58 118.79 1g11 h GLU 65 Ca 0.03 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1g11 h GLU 65 Cb 0.62 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1g11 h GLU 65 CO 0.05 0.94 0.02 1.96 -1.16 0.00 0.00 179.01 180.81 1g11 h GLN 66 N 0.14 0.10 -1.40 2.33 1.08 -1.19 1.51 115.11 117.67 1g11 h GLN 66 Ca 0.00 -0.02 0.41 0.00 -1.45 0.00 0.00 58.65 57.59 1g11 h GLN 66 Cb 0.93 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.29 1g11 h GLN 66 CO 0.07 0.28 1.17 -0.07 -0.95 0.00 0.00 178.83 179.33 1g11 h LEU 67 N -0.10 0.00 -5.03 1.46 3.38 -1.12 -2.73 115.31 111.18 1g11 h LEU 67 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1g11 h LEU 67 Cb 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.82 1g11 h LEU 67 CO -0.00 0.00 -0.48 0.61 0.09 0.00 0.00 178.44 178.66 1g11 n GLY 68 N -1.79 0.41 0.28 0.83 0.00 -0.84 -5.00 105.19 99.08 1g11 n GLY 68 Ca 0.31 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 3.46 0.46 -2.89 1.61 3.08 0.24 -2.60 114.38 117.74 1g11 h ARG 69 Ca -0.12 -0.03 -0.37 0.00 0.07 0.00 0.00 59.98 59.54 1g11 h ARG 69 Cb 1.06 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1g11 h ARG 69 CO 0.23 0.30 1.93 -0.35 -1.07 0.00 0.00 179.97 181.01 1g11 n PRO 70 N -4.98 2.30 0.00 0.04 -0.04 -1.26 -4.71 135.00 126.34 1g11 n PRO 70 Ca 0.14 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1g11 n PRO 70 Cb 0.41 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.46 0.00 -3.68 0.54 -1.74 -0.98 -5.19 117.46 109.87 1g11 n PHE 71 Ca 0.49 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 57.25 1g11 n PHE 71 Cb 0.36 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.29 1g11 n PHE 71 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1g11 s ASN 72 N 1.69 -0.28 0.14 5.98 2.47 -1.26 -5.05 114.94 118.62 1g11 s ASN 72 Ca 0.00 0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.36 1g11 s ASN 72 Cb 0.00 0.40 -0.09 0.00 -1.45 0.00 0.00 41.25 40.11 1g11 s ASN 72 CO 0.00 -0.60 1.31 0.00 -3.72 0.00 0.00 177.10 174.09 1g11 h MET 73 N 3.24 0.22 -0.38 0.43 -0.00 -1.99 -2.99 114.93 113.45 1g11 h MET 73 Ca -0.30 -0.27 -0.06 0.00 -0.00 0.00 0.00 59.70 59.07 1g11 h MET 73 Cb 1.19 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.86 1g11 h MET 73 CO 0.42 1.03 0.02 0.37 -0.00 0.00 0.00 176.91 178.75 1g11 h GLN 74 N 0.11 0.66 0.00 -0.10 4.15 -2.00 -2.33 115.11 115.59 1g11 h GLN 74 Ca -0.06 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1g11 h GLN 74 Cb 1.63 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.26 1g11 h GLN 74 CO 0.15 0.74 -0.10 1.49 -1.93 0.00 0.00 178.83 179.18 1g11 h GLU 75 N 0.48 0.00 0.41 1.69 4.57 -1.98 -2.79 114.58 116.96 1g11 h GLU 75 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1g11 h GLU 75 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1g11 h GLU 75 CO 0.02 0.10 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.68 1g11 h LEU 76 N 0.00 -0.47 -0.44 1.64 4.07 -1.26 0.75 115.31 119.60 1g11 h LEU 76 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1g11 h LEU 76 Cb 0.36 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1g11 h LEU 76 CO 0.01 -0.23 0.00 1.21 -1.08 0.00 0.00 178.44 178.36 1g11 n GLU 77 N -5.27 0.07 0.00 1.13 2.13 -1.07 -3.08 120.64 114.54 1g11 n GLU 77 Ca -0.11 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1g11 n GLU 77 Cb 0.27 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.31 1g11 n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1g11 n ILE 78 N -1.80 0.00 -2.46 6.31 2.08 -0.65 -4.62 119.36 118.22 1g11 n ILE 78 Ca 0.01 0.43 -0.43 0.00 0.56 0.00 0.00 62.75 63.32 1g11 n ILE 78 Cb 0.09 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 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 -2.11 4.91 -4.24 4.38 4.13 0.25 -4.92 115.26 117.66 1g11 n ASN 79 Ca 0.00 -3.00 -0.27 0.00 1.68 0.00 0.00 54.58 52.99 1g11 n ASN 79 Cb 0.00 -1.57 -0.15 0.00 -1.54 0.00 0.00 39.78 36.52 1g11 n ASN 79 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1g11 s LEU 80 N 1.35 2.10 0.00 3.41 1.02 -1.18 -4.75 118.68 120.63 1g11 s LEU 80 Ca 0.44 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1g11 s LEU 80 Cb 0.06 -1.03 0.00 0.00 0.02 0.00 0.00 46.19 45.23 1g11 s LEU 80 CO -0.00 0.21 0.93 0.00 0.02 0.00 0.00 176.35 177.52 1g11 n ALA 81 N 2.23 0.00 -3.00 4.21 0.00 -1.17 -4.92 120.51 117.86 1g11 n ALA 81 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1g11 n ALA 81 Cb 0.53 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.78 0.00 -1.96 0.00 2.88 0.92 -4.94 113.62 107.73 1g11 n SER 82 Ca 0.00 -0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 56.87 1g11 n SER 82 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1g11 n SER 82 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1g11 n PHE 83 N 0.00 -1.28 -2.08 0.66 3.72 -1.26 -1.23 117.46 115.99 1g11 n PHE 83 Ca 0.00 -1.08 -0.02 0.00 -0.05 0.00 0.00 57.45 56.30 1g11 n PHE 83 Cb 0.00 0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1g11 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g11 n ALA 84 N -1.80 2.66 -2.71 4.37 0.00 -1.03 -4.79 120.51 117.20 1g11 n ALA 84 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1g11 n ALA 84 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 0.08 1.23 3.50 0.00 0.00 -1.26 -4.24 105.19 104.51 1g11 n GLY 85 Ca -0.09 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 4.84 1.82 -0.05 1.61 1.11 -0.87 -5.05 119.66 123.07 1g11 s GLN 86 Ca 0.00 -1.32 -0.04 0.00 0.01 0.00 0.00 55.36 54.01 1g11 s GLN 86 Cb 0.00 -2.05 0.02 0.00 -1.01 0.00 0.00 33.01 29.97 1g11 s GLN 86 CO 0.00 0.44 0.13 -1.50 0.01 0.00 0.00 175.29 174.36 1g11 s ILE 87 N -1.53 -0.01 0.12 1.08 -1.16 -1.26 -2.21 121.20 116.23 1g11 s ILE 87 Ca 0.22 0.03 0.07 0.00 -0.51 0.00 0.00 60.65 60.46 1g11 s ILE 87 Cb -0.09 -0.19 -0.04 0.00 0.61 0.00 0.00 42.46 42.75 1g11 s ILE 87 CO 0.12 0.01 -0.16 -1.10 -2.81 0.00 0.00 174.94 171.00 1g11 s GLN 88 N 0.26 1.07 -0.01 3.50 -0.21 0.01 -5.00 119.66 119.29 1g11 s GLN 88 Ca -0.02 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.16 1g11 s GLN 88 Cb -0.03 -1.06 -0.01 0.00 1.00 0.00 0.00 33.01 32.91 1g11 s GLN 88 CO -0.01 0.22 -0.11 0.00 -2.12 0.00 0.00 175.29 173.27 1g11 s ALA 89 N -1.90 0.89 0.53 6.09 0.00 -1.26 -0.39 121.76 125.72 1g11 s ALA 89 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1g11 s ALA 89 Cb -0.06 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1g11 s ALA 89 CO 0.04 0.22 0.30 -3.47 0.00 0.00 0.00 175.76 172.85 1g11 n ASP 90 N 2.82 2.89 -0.22 0.00 2.03 0.19 -4.94 116.55 119.32 1g11 n ASP 90 Ca -0.14 -2.94 0.09 0.00 0.52 0.00 0.00 54.79 52.32 1g11 n ASP 90 Cb 0.56 0.06 0.18 0.00 -0.72 0.00 0.00 41.12 41.20 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1g11 n GLU 91 N -1.64 -0.05 -2.83 -0.67 0.28 -1.26 -2.67 120.64 111.80 1g11 n GLU 91 Ca -0.07 0.94 -0.11 0.00 -0.16 0.00 0.00 57.16 57.76 1g11 n GLU 91 Cb 0.62 -1.49 0.04 0.00 1.43 0.00 0.00 31.44 32.04 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 -4.82 -2.08 -3.60 -1.84 8.00 -1.26 -5.13 116.55 105.81 1g11 n ASP 92 Ca 0.15 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1g11 n ASP 92 Cb 0.48 1.37 -0.01 0.00 -0.02 0.00 0.00 41.12 42.94 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g11 s GLN 93 N 0.11 0.27 -0.16 -1.24 -2.07 -1.09 -4.58 119.66 110.90 1g11 s GLN 93 Ca 0.30 -0.14 -0.08 0.00 -1.82 0.00 0.00 55.36 53.62 1g11 s GLN 93 Cb 0.25 0.10 0.06 0.00 -1.09 0.00 0.00 33.01 32.33 1g11 s GLN 93 CO -0.16 -0.12 0.38 -1.50 -1.32 0.00 0.00 175.29 172.56 1g11 s ILE 94 N -2.31 -0.16 0.24 3.63 2.07 -0.76 0.53 121.20 124.44 1g11 s ILE 94 Ca 0.13 0.12 0.10 0.00 -1.41 0.00 0.00 60.65 59.60 1g11 s ILE 94 Cb 0.04 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 1g11 s ILE 94 CO -0.04 0.05 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.73 1g11 s ARG 95 N 1.66 1.52 0.02 3.50 3.00 0.48 -0.74 118.95 128.40 1g11 s ARG 95 Ca -0.08 -1.67 0.08 0.00 0.00 0.00 0.00 55.73 54.06 1g11 s ARG 95 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 34.95 33.32 1g11 s ARG 95 CO -0.12 0.28 -0.25 -0.06 0.00 0.00 0.00 175.30 175.15 1g11 s PHE 96 N -2.62 2.17 -0.18 -0.53 0.40 -0.73 -0.81 117.98 115.69 1g11 s PHE 96 Ca 0.26 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.94 1g11 s PHE 96 Cb -0.04 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.23 1g11 s PHE 96 CO 0.11 0.07 0.65 1.52 0.70 0.00 0.00 175.22 178.27 1g11 s TYR 97 N -0.72 -0.69 -0.58 0.36 1.13 -0.94 0.25 117.35 116.16 1g11 s TYR 97 Ca 0.10 1.53 0.02 0.00 -1.41 0.00 0.00 57.07 57.31 1g11 s TYR 97 Cb -0.10 0.29 0.41 0.00 -1.10 0.00 0.00 41.96 41.46 1g11 s TYR 97 CO 0.01 -0.43 1.54 0.34 -2.51 0.00 0.00 175.55 174.51 1g11 n PHE 98 N 2.14 3.14 -4.42 -3.49 7.35 -0.32 -2.05 117.46 119.81 1g11 n PHE 98 Ca -0.16 -2.70 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 1g11 n PHE 98 Cb 0.56 -0.67 -0.12 0.00 0.35 0.00 0.00 39.48 39.60 1g11 n PHE 98 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1g11 s ASP 99 N -2.54 3.82 0.00 -2.13 1.01 -1.26 -3.18 116.67 112.40 1g11 s ASP 99 Ca 0.52 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.25 1g11 s ASP 99 Cb 0.43 -0.54 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1g11 s ASP 99 CO -0.20 0.20 0.00 0.29 0.21 0.00 0.00 175.17 175.67 1g11 n LYS 100 N 1.03 0.00 -1.98 8.23 4.01 -1.26 -4.94 118.16 123.24 1g11 n LYS 100 Ca -0.16 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.24 1g11 n LYS 100 Cb 0.53 0.00 -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 3.38 -0.92 -0.18 -1.32 -1.26 -5.10 115.64 110.24 1g11 s THR 101 Ca 0.00 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1g11 s THR 101 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 1g11 s THR 101 CO 0.00 -0.62 0.23 0.80 -2.21 0.00 0.00 174.62 172.82