#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 2.21 0.76 0.44 -1.32 -1.26 -5.00 115.64 111.47 1g11 s THR 2 Ca 0.00 0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 60.59 1g11 s THR 2 Cb 0.00 -3.12 0.17 0.00 -1.51 0.00 0.00 72.50 68.04 1g11 s THR 2 CO 0.00 0.04 1.04 -0.11 -2.21 0.00 0.00 174.62 173.38 1g11 n LEU 3 N 1.62 0.00 0.00 9.08 7.94 -1.26 -5.11 117.00 129.27 1g11 n LEU 3 Ca 0.05 -1.53 -0.27 0.00 -1.11 0.00 0.00 56.01 53.15 1g11 n LEU 3 Cb 0.39 -0.75 -0.03 0.00 0.53 0.00 0.00 43.42 43.56 1g11 n LEU 3 CO 0.63 -1.15 -0.08 0.00 -1.11 0.00 0.00 177.39 175.68 1g11 n ALA 4 N -3.39 0.59 -2.54 1.96 0.00 -1.26 -5.16 120.51 110.71 1g11 n ALA 4 Ca -0.17 -2.05 -0.28 0.00 0.00 0.00 0.00 53.44 50.94 1g11 n ALA 4 Cb 0.51 0.99 -0.06 0.00 0.00 0.00 0.00 19.45 20.89 1g11 n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g11 s ASP 5 N -3.75 4.34 0.38 0.00 1.11 -1.26 -5.16 116.67 112.33 1g11 s ASP 5 Ca 0.14 -1.32 -0.09 0.00 0.18 0.00 0.00 52.55 51.46 1g11 s ASP 5 Cb -0.01 0.05 0.03 0.00 1.07 0.00 0.00 42.92 44.06 1g11 s ASP 5 CO 0.09 -0.77 0.65 0.00 1.18 0.00 0.00 175.17 176.33 1g11 s GLN 6 N -3.97 2.14 -0.44 8.23 -2.07 -1.26 -5.12 119.66 117.17 1g11 s GLN 6 Ca 0.28 -1.63 0.06 0.00 -1.82 0.00 0.00 55.36 52.25 1g11 s GLN 6 Cb 0.02 0.55 0.20 0.00 -1.09 0.00 0.00 33.01 32.69 1g11 s GLN 6 CO 0.16 -0.96 0.52 0.00 -1.32 0.00 0.00 175.29 173.70 1g11 n ALA 7 N -0.56 1.26 -3.00 2.60 0.00 -1.26 -5.12 120.51 114.43 1g11 n ALA 7 Ca -0.04 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1g11 n ALA 7 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 2.43 0.00 -1.11 0.00 4.32 -1.26 -4.92 117.00 116.46 1g11 n LEU 8 Ca 0.23 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.36 1g11 n LEU 8 Cb 0.52 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1g11 n LEU 8 CO 0.08 0.00 -0.43 1.41 -1.22 0.00 0.00 177.39 177.23 1g11 n HIS 9 N 0.00 -2.93 -1.54 -1.77 8.25 -1.26 -4.36 115.22 111.61 1g11 n HIS 9 Ca 0.00 1.58 -0.19 0.00 -0.26 0.00 0.00 57.72 58.85 1g11 n HIS 9 Cb 0.00 -2.66 -0.12 0.00 1.12 0.00 0.00 29.99 28.33 1g11 n HIS 9 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1g11 n ASN 10 N -3.84 0.80 0.00 0.41 0.23 -1.01 -4.44 115.26 107.41 1g11 n ASN 10 Ca -0.05 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 1g11 n ASN 10 Cb 0.52 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.93 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1g11 n ASN 11 N 14.24 0.00 -3.47 0.53 4.13 -1.26 -5.04 115.26 124.39 1g11 n ASN 11 Ca 0.53 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.66 1g11 n ASN 11 Cb 0.34 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.54 1g11 n ASN 11 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1g11 s ASN 12 N 1.00 -0.55 -0.05 6.41 4.22 -1.24 -4.83 114.94 119.90 1g11 s ASN 12 Ca 0.00 0.12 0.04 0.00 -2.14 0.00 0.00 52.86 50.88 1g11 s ASN 12 Cb 0.00 0.57 -0.02 0.00 1.28 0.00 0.00 41.25 43.08 1g11 s ASN 12 CO 0.00 -0.87 -0.16 0.68 -2.04 0.00 0.00 177.10 174.70 1g11 s VAL 13 N -3.17 2.88 -0.37 3.54 -7.23 -1.11 -4.32 120.40 110.62 1g11 s VAL 13 Ca -0.02 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1g11 s VAL 13 Cb -0.01 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 34.96 1g11 s VAL 13 CO -0.08 0.58 0.25 -0.83 -0.31 0.00 0.00 175.10 174.72 1g11 s GLY 14 N -0.58 0.92 0.28 2.32 0.00 -1.26 -2.02 107.32 106.98 1g11 s GLY 14 Ca 0.08 -2.01 -0.29 0.00 0.00 0.00 0.00 44.72 42.50 1g11 s GLY 14 CO 0.01 2.12 1.07 2.56 0.00 0.00 0.00 173.10 178.87 1g11 s PRO 15 N 0.78 4.65 -0.05 2.90 0.04 -1.23 -1.85 135.00 140.24 1g11 s PRO 15 Ca 0.23 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.03 1g11 s PRO 15 Cb -0.15 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1g11 s PRO 15 CO -0.05 0.24 -0.10 0.42 0.04 0.00 0.00 177.00 177.55 1g11 s ILE 16 N -1.19 0.92 0.09 0.56 -1.09 0.05 -2.48 121.20 118.06 1g11 s ILE 16 Ca 0.45 -0.36 -0.26 0.00 -2.23 0.00 0.00 60.65 58.24 1g11 s ILE 16 Cb -0.31 -0.86 0.07 0.00 -1.58 0.00 0.00 42.46 39.78 1g11 s ILE 16 CO 0.39 0.31 0.63 0.27 -1.23 0.00 0.00 174.94 175.31 1g11 s ILE 17 N 0.67 0.00 1.18 2.92 -4.36 -0.96 -0.88 121.20 119.78 1g11 s ILE 17 Ca -0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.09 1g11 s ILE 17 Cb -0.15 -1.00 0.24 0.00 1.25 0.00 0.00 42.46 42.80 1g11 s ILE 17 CO 0.02 0.00 0.51 -2.11 0.24 0.00 0.00 174.94 173.60 1g11 n ARG 18 N 0.04 -3.04 -3.80 0.37 1.85 -1.26 0.35 116.66 111.17 1g11 n ARG 18 Ca -0.18 -0.90 -0.11 0.00 -1.00 0.00 0.00 57.85 55.67 1g11 n ARG 18 Cb 0.62 -1.68 -0.08 0.00 -1.05 0.00 0.00 32.46 30.28 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 -2.12 -0.54 0.00 2.89 0.00 0.24 -3.50 121.76 118.74 1g11 s ALA 19 Ca 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1g11 s ALA 19 Cb -0.10 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1g11 s ALA 19 CO 0.46 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1g11 n GLY 20 N 0.66 0.47 1.97 0.00 0.00 -1.26 -4.73 105.19 102.31 1g11 n GLY 20 Ca -0.19 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.66 -1.46 1.61 -0.08 -1.26 -4.94 116.55 109.76 1g11 n ASP 21 Ca 0.00 -1.53 -0.16 0.00 -1.51 0.00 0.00 54.79 51.59 1g11 n ASP 21 Cb 0.00 0.31 -0.05 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.68 -1.38 0.01 -2.67 4.32 -1.26 -4.83 117.00 110.51 1g11 n LEU 22 Ca -0.08 0.25 0.13 0.00 -0.02 0.00 0.00 56.01 56.28 1g11 n LEU 22 Cb 0.66 -2.35 0.55 0.00 -1.62 0.00 0.00 43.42 40.66 1g11 n LEU 22 CO -0.07 -0.60 0.92 0.52 -1.22 0.00 0.00 177.39 176.93 1g11 n VAL 23 N -3.07 0.23 0.06 4.08 0.31 -1.26 -2.05 118.33 116.63 1g11 n VAL 23 Ca -0.17 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.11 1g11 n VAL 23 Cb 0.57 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.24 0.00 5.55 5.08 -1.98 -0.39 114.58 122.59 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 0.48 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1g11 h GLU 24 CO 0.00 -0.03 0.00 -0.35 -1.00 0.00 0.00 179.01 177.63 1g11 n PRO 25 N -4.94 0.11 -0.05 2.33 -0.04 -1.24 -1.73 135.00 129.45 1g11 n PRO 25 Ca -0.05 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 1g11 n PRO 25 Cb 0.16 -1.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.02 -0.53 0.52 2.07 -1.49 -2.79 116.25 115.06 1g11 h VAL 26 Ca 0.00 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 1g11 h VAL 26 Cb 0.47 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1g11 h VAL 26 CO 0.00 0.55 0.04 -0.29 0.02 0.00 0.00 177.57 177.89 1g11 h ILE 27 N -0.64 1.24 -0.38 4.57 6.09 -1.01 0.41 117.51 127.78 1g11 h ILE 27 Ca -0.30 -0.98 -0.14 0.00 -1.37 0.00 0.00 64.86 62.08 1g11 h ILE 27 Cb 1.51 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 1g11 h ILE 27 CO -0.06 0.35 -0.31 -0.08 -3.07 0.00 0.00 178.15 174.99 1g11 h GLU 28 N 0.81 0.84 0.00 2.19 4.22 -1.48 -1.99 114.58 119.16 1g11 h GLU 28 Ca 0.16 -0.39 -0.15 0.00 0.08 0.00 0.00 59.36 59.06 1g11 h GLU 28 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1g11 h GLU 28 CO 0.01 1.03 -0.69 1.15 -2.18 0.00 0.00 179.01 178.33 1g11 h THR 29 N 0.71 1.42 0.00 0.32 2.02 -1.16 -2.49 112.91 113.73 1g11 h THR 29 Ca 0.08 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.80 1g11 h THR 29 Cb 0.86 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1g11 h THR 29 CO 0.08 0.68 -0.17 0.00 0.37 0.00 0.00 175.52 176.47 1g11 h ALA 30 N 1.31 1.00 0.04 6.16 0.00 0.04 -2.11 119.26 125.69 1g11 h ALA 30 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1g11 h ALA 30 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1g11 h ALA 30 CO 0.09 0.21 -0.28 0.93 0.00 0.00 0.00 179.25 180.20 1g11 h GLU 31 N 0.00 0.08 -0.06 0.00 4.39 -1.11 -3.07 114.58 114.81 1g11 h GLU 31 Ca -0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1g11 h GLU 31 Cb 0.75 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1g11 h GLU 31 CO 0.02 1.07 0.04 -0.84 -1.16 0.00 0.00 179.01 178.14 1g11 h ILE 32 N -0.82 1.02 -0.39 3.13 3.07 -1.41 -1.18 117.51 120.93 1g11 h ILE 32 Ca -0.06 -0.04 -0.05 0.00 1.55 0.00 0.00 64.86 66.26 1g11 h ILE 32 Cb 1.20 0.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.67 1g11 h ILE 32 CO 0.03 0.02 0.05 -0.78 -1.05 0.00 0.00 178.15 176.43 1g11 h ASP 33 N 0.08 0.63 -3.20 2.16 3.58 -1.44 -3.44 116.42 114.79 1g11 h ASP 33 Ca 0.02 -0.27 -0.47 0.00 0.42 0.00 0.00 57.03 56.74 1g11 h ASP 33 Cb -0.00 -0.17 0.04 0.00 1.72 0.00 0.00 39.33 40.92 1g11 h ASP 33 CO -0.00 0.74 0.04 0.20 -2.88 0.00 0.00 179.24 177.34 1g11 s ASN 34 N -6.07 5.70 -0.43 2.28 0.02 -0.45 -4.94 114.94 111.06 1g11 s ASN 34 Ca -0.13 0.50 -0.06 0.00 -1.02 0.00 0.00 52.86 52.15 1g11 s ASN 34 Cb 0.10 -1.61 -0.16 0.00 0.02 0.00 0.00 41.25 39.60 1g11 s ASN 34 CO 0.78 -0.89 2.72 -0.81 0.02 0.00 0.00 177.10 178.92 1g11 n PRO 35 N -2.34 1.95 -2.10 -0.60 -0.04 -1.26 -4.62 135.00 125.99 1g11 n PRO 35 Ca 0.03 -1.11 -0.38 0.00 -0.04 0.00 0.00 63.50 62.00 1g11 n PRO 35 Cb 0.58 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1g11 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g11 n GLY 36 N 3.00 5.42 1.99 0.55 0.00 -1.24 -4.71 105.19 110.20 1g11 n GLY 36 Ca 0.42 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 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 0.56 1.95 0.00 1.61 0.00 -1.26 -3.99 118.16 117.02 1g11 n LYS 37 Ca 0.53 -1.81 0.00 0.00 -0.00 0.00 0.00 58.31 57.04 1g11 n LYS 37 Cb 0.30 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 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 0.27 0.00 -4.21 -1.58 0.28 -1.26 -5.16 120.64 108.98 1g11 n GLU 38 Ca 0.35 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.20 1g11 n GLU 38 Cb 0.58 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.35 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 1.08 -0.25 3.84 1.09 -1.26 -4.67 121.20 121.03 1g11 s ILE 39 Ca 0.00 -1.78 0.01 0.00 -1.10 0.00 0.00 60.65 57.78 1g11 s ILE 39 Cb 0.00 -1.53 0.04 0.00 -1.06 0.00 0.00 42.46 39.91 1g11 s ILE 39 CO 0.00 -0.59 -0.09 -0.89 -0.10 0.00 0.00 174.94 173.27 1g11 s THR 40 N -2.64 2.46 0.04 2.92 2.01 -0.81 -4.99 115.64 114.63 1g11 s THR 40 Ca 0.09 -1.33 -0.09 0.00 0.31 0.00 0.00 61.69 60.67 1g11 s THR 40 Cb -0.02 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1g11 s THR 40 CO 0.01 0.11 0.34 -0.69 -0.69 0.00 0.00 174.62 173.69 1g11 s VAL 41 N 1.21 5.19 -0.52 3.82 1.01 -1.26 -0.68 120.40 129.17 1g11 s VAL 41 Ca -0.04 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1g11 s VAL 41 Cb -0.18 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.78 1g11 s VAL 41 CO -0.05 0.35 0.47 -0.62 0.00 0.00 0.00 175.10 175.24 1g11 n GLU 42 N 1.08 1.02 -3.22 2.72 -0.58 0.65 -4.99 120.64 117.33 1g11 n GLU 42 Ca -0.10 -3.72 -0.45 0.00 -0.42 0.00 0.00 57.16 52.46 1g11 n GLU 42 Cb 0.53 -1.82 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.91 6.19 -0.11 1.62 1.01 -1.26 -2.76 116.67 120.44 1g11 s ASP 43 Ca 0.32 -1.50 -0.09 0.00 0.71 0.00 0.00 52.55 51.99 1g11 s ASP 43 Cb 0.06 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.65 1g11 s ASP 43 CO -0.15 -0.95 0.22 -0.09 0.21 0.00 0.00 175.17 174.42 1g11 h ARG 44 N 9.01 0.00 0.00 8.23 9.65 -1.95 -3.50 114.38 135.83 1g11 h ARG 44 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 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 1.04 0.31 0.00 0.54 2.80 0.00 0.00 179.97 184.66 1g11 n ARG 45 N -4.72 0.00 0.00 0.20 5.12 -1.26 -4.97 116.66 111.02 1g11 n ARG 45 Ca -0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.76 1g11 n ARG 45 Cb 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.36 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 -0.05 -1.98 7.54 0.00 -1.96 -3.39 119.26 119.43 1g11 h ALA 46 Ca 0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 1g11 h ALA 46 Cb 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 1g11 h ALA 46 CO 0.00 -0.26 -0.64 0.71 0.00 0.00 0.00 179.25 179.06 1g11 s TYR 47 N -4.01 2.10 -0.14 0.00 2.02 -1.26 -0.59 117.35 115.46 1g11 s TYR 47 Ca -0.16 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 1g11 s TYR 47 Cb 0.01 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 1g11 s TYR 47 CO 0.64 0.26 -0.13 0.08 -1.57 0.00 0.00 175.55 174.84 1g11 s VAL 48 N -3.00 1.44 0.10 0.71 1.01 0.16 -3.45 120.40 117.36 1g11 s VAL 48 Ca 0.33 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1g11 s VAL 48 Cb 0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1g11 s VAL 48 CO 0.14 0.44 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1g11 s ARG 49 N 1.52 1.02 0.27 2.72 1.70 -1.11 -2.25 118.95 122.82 1g11 s ARG 49 Ca 0.05 -1.12 0.02 0.00 -0.47 0.00 0.00 55.73 54.21 1g11 s ARG 49 Cb -0.13 -1.16 -0.05 0.00 -0.57 0.00 0.00 34.95 33.05 1g11 s ARG 49 CO -0.10 0.26 0.10 0.42 -1.08 0.00 0.00 175.30 174.90 1g11 s ILE 50 N -1.34 0.57 -0.39 4.99 1.01 -1.04 -0.25 121.20 124.75 1g11 s ILE 50 Ca 0.04 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.73 1g11 s ILE 50 Cb -0.09 -2.63 0.16 0.00 0.01 0.00 0.00 42.46 39.91 1g11 s ILE 50 CO 0.04 0.00 0.43 0.00 0.00 0.00 0.00 174.94 175.40 1g11 s ALA 51 N -3.70 -0.54 0.27 9.38 0.00 0.14 -3.51 121.76 123.80 1g11 s ALA 51 Ca 0.37 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1g11 s ALA 51 Cb 0.07 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1g11 s ALA 51 CO 0.14 -2.15 0.23 0.00 0.00 0.00 0.00 175.76 173.99 1g11 n ALA 52 N 3.96 0.22 0.02 0.00 0.00 -0.86 -1.92 120.51 121.94 1g11 n ALA 52 Ca 0.14 -0.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 1g11 n ALA 52 Cb 0.47 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 1g11 n ALA 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1g11 h GLU 53 N 0.00 0.28 0.00 0.00 4.81 -1.86 -2.94 114.58 114.87 1g11 h GLU 53 Ca -0.08 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1g11 h GLU 53 Cb 0.33 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1g11 h GLU 53 CO 0.10 1.15 0.00 0.41 -0.73 0.00 0.00 179.01 179.94 1g11 n GLY 54 N 1.47 3.01 3.48 1.92 0.00 -1.26 -3.72 105.19 110.09 1g11 n GLY 54 Ca -0.12 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.18 0.09 1.61 2.12 -1.26 -2.34 118.70 122.10 1g11 s GLU 55 Ca 0.00 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.73 1g11 s GLU 55 Cb 0.00 -4.18 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 1g11 s GLU 55 CO 0.00 -1.78 -0.05 -0.51 -0.54 0.00 0.00 175.26 172.38 1g11 s LEU 56 N 4.27 2.47 -0.22 2.70 1.43 -0.03 -5.02 118.68 124.28 1g11 s LEU 56 Ca 0.26 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 1g11 s LEU 56 Cb -0.15 0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.16 1g11 s LEU 56 CO 0.13 -0.51 0.54 -0.51 0.23 0.00 0.00 176.35 176.23 1g11 s ILE 57 N -3.72 -0.03 0.07 -0.59 -1.16 -1.26 -2.30 121.20 112.21 1g11 s ILE 57 Ca 0.11 0.05 0.05 0.00 -0.51 0.00 0.00 60.65 60.35 1g11 s ILE 57 Cb 0.06 -0.80 -0.03 0.00 0.61 0.00 0.00 42.46 42.31 1g11 s ILE 57 CO -0.06 0.02 -0.13 -0.76 -2.81 0.00 0.00 174.94 171.20 1g11 s LEU 58 N 1.54 2.28 0.00 8.50 1.43 0.29 -4.89 118.68 127.82 1g11 s LEU 58 Ca -0.10 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1g11 s LEU 58 Cb -0.07 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1g11 s LEU 58 CO -0.16 -0.10 0.73 0.35 0.23 0.00 0.00 176.35 177.40 1g11 n THR 59 N 1.29 0.00 -1.13 5.49 -2.24 -1.26 -1.57 114.28 114.86 1g11 n THR 59 Ca -0.21 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 1g11 n THR 59 Cb 0.54 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 1g11 n THR 59 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g11 n ARG 60 N 0.00 2.24 0.21 -0.78 3.00 -1.26 -4.48 116.66 115.59 1g11 n ARG 60 Ca 0.00 -1.37 0.14 0.00 -0.00 0.00 0.00 57.85 56.63 1g11 n ARG 60 Cb 0.60 -2.10 0.74 0.00 0.00 0.00 0.00 32.46 31.71 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 3.18 0.00 0.21 -0.14 -0.00 -1.92 -0.38 116.57 117.52 1g11 h LYS 61 Ca 0.29 0.00 -0.32 0.00 -0.00 0.00 0.00 60.65 60.61 1g11 h LYS 61 Cb 1.27 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 33.52 1g11 h LYS 61 CO 0.48 0.00 -1.48 0.00 -0.00 0.00 0.00 179.45 178.45 1g11 h THR 62 N 0.00 1.19 -0.32 0.07 1.03 -1.97 -1.69 112.91 111.21 1g11 h THR 62 Ca 0.00 -2.60 -0.04 0.00 -0.01 0.00 0.00 66.41 63.75 1g11 h THR 62 Cb 0.05 2.96 -0.01 0.00 -1.07 0.00 0.00 68.15 70.08 1g11 h THR 62 CO 0.00 0.81 0.04 0.25 -0.01 0.00 0.00 175.52 176.61 1g11 h LEU 63 N 0.04 0.53 -0.68 0.00 6.46 -1.47 0.40 115.31 120.58 1g11 h LEU 63 Ca -0.27 -0.27 -0.12 0.00 -0.12 0.00 0.00 57.88 57.09 1g11 h LEU 63 Cb 2.06 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.84 1g11 h LEU 63 CO 0.22 0.67 -0.31 -0.33 -0.62 0.00 0.00 178.44 178.07 1g11 h GLU 64 N 0.37 0.68 -0.44 1.25 5.08 -1.43 -1.88 114.58 118.20 1g11 h GLU 64 Ca 0.10 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1g11 h GLU 64 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1g11 h GLU 64 CO 0.01 0.90 -0.30 0.93 -1.00 0.00 0.00 179.01 179.55 1g11 h GLU 65 N 0.58 0.97 0.01 2.33 5.08 -1.07 -3.17 114.58 119.32 1g11 h GLU 65 Ca 0.07 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1g11 h GLU 65 Cb 0.81 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1g11 h GLU 65 CO 0.07 1.13 -0.01 1.96 -1.00 0.00 0.00 179.01 181.16 1g11 h GLN 66 N 0.82 -0.01 -1.83 2.33 4.20 -0.03 1.46 115.11 122.04 1g11 h GLN 66 Ca 0.09 0.00 0.54 0.00 0.06 0.00 0.00 58.65 59.34 1g11 h GLN 66 Cb 0.89 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.58 1g11 h GLN 66 CO 0.08 0.06 1.30 -0.07 -0.67 0.00 0.00 178.83 179.53 1g11 h LEU 67 N -0.09 0.04 -5.10 1.46 3.38 -1.31 -2.67 115.31 111.02 1g11 h LEU 67 Ca -0.00 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 1g11 h LEU 67 Cb 0.09 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.69 1g11 h LEU 67 CO 0.00 -0.05 -0.54 0.61 0.09 0.00 0.00 178.44 178.56 1g11 n GLY 68 N -1.84 0.60 0.28 0.83 0.00 -0.73 -4.99 105.19 99.33 1g11 n GLY 68 Ca 0.43 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.41 1g11 n GLY 68 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g11 h ARG 69 N 3.53 0.41 -3.06 1.61 3.08 0.24 -2.67 114.38 117.51 1g11 h ARG 69 Ca -0.10 -0.02 -0.42 0.00 0.07 0.00 0.00 59.98 59.50 1g11 h ARG 69 Cb 1.05 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.01 1g11 h ARG 69 CO 0.26 0.27 2.46 -0.35 -1.07 0.00 0.00 179.97 181.54 1g11 n PRO 70 N -5.02 2.48 -0.78 0.04 -0.04 -1.26 -4.73 135.00 125.70 1g11 n PRO 70 Ca 0.14 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1g11 n PRO 70 Cb 0.43 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.69 -0.76 -4.23 0.54 -1.74 -1.01 -5.19 117.46 108.76 1g11 n PHE 71 Ca 0.53 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 57.29 1g11 n PHE 71 Cb 0.27 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.23 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 -0.76 0.52 0.14 5.98 3.02 -1.26 -5.03 115.26 117.87 1g11 n ASN 72 Ca 0.00 -2.19 0.13 0.00 -0.03 0.00 0.00 54.58 52.49 1g11 n ASN 72 Cb 0.00 0.70 0.36 0.00 -0.61 0.00 0.00 39.78 40.23 1g11 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g11 h MET 73 N 0.00 0.00 -0.11 3.52 -0.00 -2.00 -3.18 114.93 113.16 1g11 h MET 73 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.53 1g11 h MET 73 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1g11 h MET 73 CO 0.24 0.00 0.00 0.37 -0.00 0.00 0.00 176.91 177.53 1g11 h GLN 74 N 0.00 0.15 -0.23 -0.10 4.15 -1.99 -1.03 115.11 116.06 1g11 h GLN 74 Ca 0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1g11 h GLN 74 Cb 0.77 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1g11 h GLN 74 CO 0.00 0.17 -0.23 0.93 -1.93 0.00 0.00 178.83 177.76 1g11 h GLU 75 N 0.16 0.42 0.72 1.69 5.08 -1.97 0.04 114.58 120.72 1g11 h GLU 75 Ca 0.04 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1g11 h GLU 75 Cb 0.10 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1g11 h GLU 75 CO 0.00 0.63 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.22 1g11 h LEU 76 N 0.37 -0.82 -2.13 1.33 3.38 -1.37 1.38 115.31 117.46 1g11 h LEU 76 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1g11 h LEU 76 Cb 0.62 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1g11 h LEU 76 CO 0.04 -0.54 0.00 1.05 0.09 0.00 0.00 178.44 179.08 1g11 h GLU 77 N -1.05 0.00 0.00 1.13 4.11 -1.45 -3.10 114.58 114.22 1g11 h GLU 77 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1g11 h GLU 77 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1g11 h GLU 77 CO 0.16 0.00 -0.07 0.82 0.07 0.00 0.00 179.01 179.99 1g11 h ILE 78 N 0.00 0.00 0.00 -1.06 2.04 -0.34 -3.38 117.51 114.77 1g11 h ILE 78 Ca 0.00 -0.78 -0.55 0.00 1.00 0.00 0.00 64.86 64.54 1g11 h ILE 78 Cb 0.25 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1g11 h ILE 78 CO 0.00 0.00 2.17 0.59 0.00 0.00 0.00 178.15 180.91 1g11 n ASN 79 N -4.15 2.69 -4.44 1.72 3.02 0.47 -4.80 115.26 109.77 1g11 n ASN 79 Ca -0.01 -2.54 -0.22 0.00 -0.03 0.00 0.00 54.58 51.78 1g11 n ASN 79 Cb 0.04 -0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 38.11 1g11 n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g11 s LEU 80 N 0.72 2.58 0.00 3.41 1.43 -1.26 -4.45 118.68 121.11 1g11 s LEU 80 Ca 0.51 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1g11 s LEU 80 Cb 0.13 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1g11 s LEU 80 CO 0.11 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.50 1g11 n ALA 81 N -0.59 2.87 -3.74 4.21 0.00 -1.10 -4.65 120.51 117.51 1g11 n ALA 81 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1g11 n ALA 81 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.30 -1.75 -3.62 0.00 7.64 -0.06 -4.95 113.62 108.58 1g11 n SER 82 Ca 0.00 -2.44 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 1g11 n SER 82 Cb 0.00 2.98 -0.06 0.00 -1.01 0.00 0.00 64.21 66.12 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 -3.18 -0.48 0.00 1.43 0.08 -1.26 -0.77 117.98 113.80 1g11 s PHE 83 Ca 0.17 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.29 1g11 s PHE 83 Cb -0.03 0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.80 1g11 s PHE 83 CO 0.12 -0.29 0.00 0.00 -0.10 0.00 0.00 175.22 174.96 1g11 n ALA 84 N 1.79 0.00 -1.00 5.36 0.00 -0.77 -4.98 120.51 120.91 1g11 n ALA 84 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1g11 n ALA 84 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 2.53 -2.70 3.42 0.00 0.00 -1.26 -4.92 105.19 102.26 1g11 n GLY 85 Ca 0.00 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1g11 n GLY 85 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g11 s GLN 86 N 0.00 1.54 0.11 1.61 0.74 -1.24 -5.01 119.66 117.41 1g11 s GLN 86 Ca 0.00 -1.63 0.08 0.00 0.05 0.00 0.00 55.36 53.85 1g11 s GLN 86 Cb 0.00 -1.65 -0.04 0.00 1.10 0.00 0.00 33.01 32.42 1g11 s GLN 86 CO 0.00 0.32 -0.20 0.96 -0.55 0.00 0.00 175.29 175.83 1g11 s ILE 87 N -2.28 1.65 -0.04 -2.34 -5.25 -1.26 -2.32 121.20 109.36 1g11 s ILE 87 Ca 0.25 -1.57 -0.02 0.00 -0.99 0.00 0.00 60.65 58.32 1g11 s ILE 87 Cb -0.05 -1.54 0.03 0.00 2.95 0.00 0.00 42.46 43.85 1g11 s ILE 87 CO 0.11 -0.12 0.05 -1.58 -1.79 0.00 0.00 174.94 171.62 1g11 s GLN 88 N -2.02 0.05 -0.14 0.37 0.74 0.13 -4.98 119.66 113.81 1g11 s GLN 88 Ca 0.07 0.32 -0.06 0.00 0.05 0.00 0.00 55.36 55.74 1g11 s GLN 88 Cb -0.09 -0.58 -0.04 0.00 1.10 0.00 0.00 33.01 33.39 1g11 s GLN 88 CO 0.04 -0.32 0.08 0.00 -0.55 0.00 0.00 175.29 174.55 1g11 s ALA 89 N 2.09 3.57 0.58 1.58 0.00 -1.26 -0.29 121.76 128.02 1g11 s ALA 89 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1g11 s ALA 89 Cb -0.12 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 21.21 1g11 s ALA 89 CO -0.03 0.42 0.59 0.34 0.00 0.00 0.00 175.76 177.07 1g11 s ASP 90 N -0.38 4.77 0.22 0.00 2.15 0.17 -4.93 116.67 118.68 1g11 s ASP 90 Ca 0.10 -1.15 0.06 0.00 0.43 0.00 0.00 52.55 51.99 1g11 s ASP 90 Cb -0.12 0.52 0.64 0.00 -0.30 0.00 0.00 42.92 43.66 1g11 s ASP 90 CO 0.02 -1.29 1.04 -1.84 -0.17 0.00 0.00 175.17 172.93 1g11 n GLU 91 N -2.02 -0.05 -2.78 4.34 0.28 -1.26 -2.66 120.64 116.49 1g11 n GLU 91 Ca 0.06 0.97 -0.10 0.00 -0.16 0.00 0.00 57.16 57.93 1g11 n GLU 91 Cb 0.63 -1.60 0.06 0.00 1.43 0.00 0.00 31.44 31.96 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 -4.76 -2.33 -3.60 -1.84 8.00 -1.26 -5.13 116.55 105.63 1g11 n ASP 92 Ca 0.19 -3.45 -0.03 0.00 0.71 0.00 0.00 54.79 52.21 1g11 n ASP 92 Cb 0.63 1.65 -0.01 0.00 -0.02 0.00 0.00 41.12 43.37 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 0.26 0.48 -0.05 -1.24 1.03 -1.09 -4.72 119.66 114.34 1g11 s GLN 93 Ca 0.28 -0.22 -0.02 0.00 0.04 0.00 0.00 55.36 55.44 1g11 s GLN 93 Cb 0.26 0.20 0.04 0.00 0.03 0.00 0.00 33.01 33.53 1g11 s GLN 93 CO -0.14 -0.22 0.09 -1.50 -2.54 0.00 0.00 175.29 170.99 1g11 s ILE 94 N -2.60 -0.13 0.11 3.63 2.07 -0.61 0.46 121.20 124.14 1g11 s ILE 94 Ca 0.10 0.31 0.05 0.00 -1.41 0.00 0.00 60.65 59.70 1g11 s ILE 94 Cb 0.01 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 1g11 s ILE 94 CO -0.04 0.13 -0.12 0.00 -1.91 0.00 0.00 174.94 173.00 1g11 s ARG 95 N 1.75 0.93 -0.04 3.50 3.03 0.60 -0.54 118.95 128.17 1g11 s ARG 95 Ca -0.02 -1.20 0.07 0.00 2.03 0.00 0.00 55.73 56.62 1g11 s ARG 95 Cb -0.12 -0.70 -0.02 0.00 -1.03 0.00 0.00 34.95 33.08 1g11 s ARG 95 CO -0.04 0.12 -0.24 -0.06 -1.13 0.00 0.00 175.30 173.95 1g11 s PHE 96 N -2.31 2.42 -0.12 5.89 0.08 -0.97 0.19 117.98 123.16 1g11 s PHE 96 Ca 0.07 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 1g11 s PHE 96 Cb -0.04 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1g11 s PHE 96 CO 0.01 -0.06 0.09 1.52 -0.10 0.00 0.00 175.22 176.68 1g11 s TYR 97 N -0.48 0.09 -2.00 0.36 1.13 -0.98 -0.85 117.35 114.62 1g11 s TYR 97 Ca 0.06 -0.03 0.17 0.00 -1.41 0.00 0.00 57.07 55.86 1g11 s TYR 97 Cb -0.11 -0.57 1.02 0.00 -1.10 0.00 0.00 41.96 41.19 1g11 s TYR 97 CO 0.01 -0.39 1.60 1.97 -2.51 0.00 0.00 175.55 176.22 1g11 n PHE 98 N 5.29 0.00 -3.08 -3.49 -1.74 -0.99 -3.67 117.46 109.78 1g11 n PHE 98 Ca -0.05 0.00 -0.45 0.00 -0.56 0.00 0.00 57.45 56.39 1g11 n PHE 98 Cb 0.49 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.47 1g11 n PHE 98 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1g11 s ASP 99 N -1.62 6.62 0.00 5.98 -1.08 -1.26 -2.39 116.67 122.91 1g11 s ASP 99 Ca 0.26 -2.17 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 1g11 s ASP 99 Cb 0.12 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.25 1g11 s ASP 99 CO 0.20 -0.91 0.02 0.29 0.52 0.00 0.00 175.17 175.28 1g11 n LYS 100 N 5.68 0.00 -2.06 4.34 5.02 -1.26 -4.79 118.16 125.10 1g11 n LYS 100 Ca 0.16 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 1g11 n LYS 100 Cb 0.48 -0.77 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 1g11 n LYS 100 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1g11 s THR 101 N -0.54 3.56 0.00 -0.18 -1.32 -1.26 -5.09 115.64 110.80 1g11 s THR 101 Ca 0.00 0.79 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 1g11 s THR 101 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1g11 s THR 101 CO 0.00 -0.05 0.44 0.23 -2.21 0.00 0.00 174.62 173.03