#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g11 n THR 2 N 0.00 0.00 -3.98 0.44 -2.24 -1.26 -5.05 114.28 102.19 1g11 n THR 2 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1g11 n THR 2 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1g11 n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g11 n LEU 3 N 0.00 0.00 -4.58 3.22 -0.00 -1.26 -5.17 117.00 109.21 1g11 n LEU 3 Ca 0.00 -0.46 -0.27 0.00 -0.00 0.00 0.00 56.01 55.28 1g11 n LEU 3 Cb 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 43.42 43.38 1g11 n LEU 3 CO 0.00 -0.12 -0.22 0.00 -0.00 0.00 0.00 177.39 177.05 1g11 s ALA 4 N -2.13 3.20 0.32 1.47 0.00 -1.26 -5.17 121.76 118.19 1g11 s ALA 4 Ca 0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 1g11 s ALA 4 Cb -0.00 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.68 1g11 s ALA 4 CO 0.01 -0.24 0.59 -0.25 0.00 0.00 0.00 175.76 175.86 1g11 n ASP 5 N -1.22 -1.69 -3.12 0.00 8.00 -1.26 -5.19 116.55 112.07 1g11 n ASP 5 Ca -0.09 -2.39 -0.11 0.00 0.71 0.00 0.00 54.79 52.91 1g11 n ASP 5 Cb 0.66 2.88 -0.01 0.00 -0.02 0.00 0.00 41.12 44.63 1g11 n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g11 s GLN 6 N -2.23 2.07 -0.38 -1.24 -2.07 -1.26 -5.09 119.66 109.46 1g11 s GLN 6 Ca 0.16 -1.54 0.12 0.00 -1.82 0.00 0.00 55.36 52.28 1g11 s GLN 6 Cb -0.03 0.55 0.35 0.00 -1.09 0.00 0.00 33.01 32.79 1g11 s GLN 6 CO 0.12 -0.93 0.79 0.00 -1.32 0.00 0.00 175.29 173.95 1g11 n ALA 7 N -0.54 1.81 -3.63 2.60 0.00 -1.26 -5.11 120.51 114.39 1g11 n ALA 7 Ca -0.04 -3.18 -0.08 0.00 0.00 0.00 0.00 53.44 50.14 1g11 n ALA 7 Cb 0.61 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.26 0.00 0.00 0.00 7.99 -1.26 -5.02 117.00 118.97 1g11 n LEU 8 Ca 0.22 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.43 1g11 n LEU 8 Cb 0.68 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.98 1g11 n LEU 8 CO 0.19 -0.33 0.00 1.41 -1.51 0.00 0.00 177.39 177.15 1g11 n HIS 9 N -0.83 -1.05 -1.57 -1.77 8.25 -1.26 -4.72 115.22 112.26 1g11 n HIS 9 Ca -0.01 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.97 1g11 n HIS 9 Cb 0.17 0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 1g11 n HIS 9 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1g11 n ASN 10 N -2.12 1.23 0.00 0.41 2.85 -1.22 -4.70 115.26 111.71 1g11 n ASN 10 Ca 0.00 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1g11 n ASN 10 Cb 0.00 -1.22 0.00 0.00 1.24 0.00 0.00 39.78 39.80 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1g11 n ASN 11 N 1.87 0.00 -3.62 1.20 4.13 -1.24 -5.03 115.26 112.56 1g11 n ASN 11 Ca 0.14 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.31 1g11 n ASN 11 Cb 0.26 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 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 1.73 -0.42 0.47 6.41 4.22 -1.26 -2.31 114.94 123.78 1g11 s ASN 12 Ca 0.00 0.74 0.03 0.00 -2.14 0.00 0.00 52.86 51.48 1g11 s ASN 12 Cb 0.00 0.72 0.01 0.00 1.28 0.00 0.00 41.25 43.26 1g11 s ASN 12 CO 0.00 -0.19 0.67 0.68 -2.04 0.00 0.00 177.10 176.22 1g11 s VAL 13 N -0.08 3.32 -0.48 3.54 -7.23 0.16 -4.71 120.40 114.93 1g11 s VAL 13 Ca 0.02 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1g11 s VAL 13 Cb -0.04 -3.21 0.23 0.00 0.56 0.00 0.00 36.38 33.92 1g11 s VAL 13 CO -0.05 -0.13 0.88 0.61 -0.31 0.00 0.00 175.10 176.10 1g11 n GLY 14 N -2.10 -0.42 3.71 2.32 0.00 -1.14 -2.79 105.19 104.78 1g11 n GLY 14 Ca 0.05 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 0.72 4.46 -0.06 1.61 0.04 -1.22 0.10 135.00 140.66 1g11 s PRO 15 Ca 0.30 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1g11 s PRO 15 Cb 0.15 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1g11 s PRO 15 CO -0.16 -0.20 -0.19 0.42 0.04 0.00 0.00 177.00 176.91 1g11 s ILE 16 N 0.93 1.59 0.24 0.56 -1.09 -0.73 -1.95 121.20 120.75 1g11 s ILE 16 Ca 0.57 -0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1g11 s ILE 16 Cb -0.28 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.20 1g11 s ILE 16 CO 0.30 0.45 0.29 0.27 -1.23 0.00 0.00 174.94 175.02 1g11 s ILE 17 N 0.16 0.00 -0.71 2.92 -4.36 -0.95 -1.14 121.20 117.12 1g11 s ILE 17 Ca -0.08 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1g11 s ILE 17 Cb -0.14 -2.41 0.38 0.00 1.25 0.00 0.00 42.46 41.54 1g11 s ILE 17 CO 0.04 0.00 1.76 -2.11 0.24 0.00 0.00 174.94 174.87 1g11 n ARG 18 N -0.36 2.95 0.00 0.37 1.85 -1.26 -1.69 116.66 118.52 1g11 n ARG 18 Ca 0.01 -3.79 0.00 0.00 -1.00 0.00 0.00 57.85 53.07 1g11 n ARG 18 Cb 0.64 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1g11 n ALA 19 N -0.55 0.00 0.00 2.89 0.00 -1.23 -4.49 120.51 117.13 1g11 n ALA 19 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1g11 n ALA 19 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1g11 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g11 n GLY 20 N 1.55 0.74 0.59 0.00 0.00 -1.23 -1.27 105.19 105.57 1g11 n GLY 20 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.40 1.61 2.03 -1.26 -4.93 116.55 113.60 1g11 n ASP 21 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1g11 n ASP 21 Cb 0.00 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.79 0.00 0.00 -2.67 4.77 -1.26 -4.81 117.00 111.23 1g11 n LEU 22 Ca 0.00 -0.83 0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1g11 n LEU 22 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 1g11 n LEU 22 CO 0.00 0.38 0.95 0.52 -1.33 0.00 0.00 177.39 177.91 1g11 n VAL 23 N 0.00 0.08 0.12 4.08 0.31 -1.26 -2.24 118.33 119.43 1g11 n VAL 23 Ca 0.00 0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1g11 n VAL 23 Cb 0.62 -0.54 -0.04 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.39 0.00 5.55 5.08 -1.98 0.89 114.58 123.73 1g11 h GLU 24 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1g11 h GLU 24 Cb 0.46 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1g11 h GLU 24 CO 0.00 -0.21 0.00 -0.35 -1.00 0.00 0.00 179.01 177.45 1g11 n PRO 25 N -5.04 0.15 -0.03 2.33 -0.04 -1.24 -1.43 135.00 129.70 1g11 n PRO 25 Ca -0.06 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1g11 n PRO 25 Cb 0.18 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 31.79 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 1.00 -0.30 0.52 2.07 -1.51 -2.88 116.25 115.15 1g11 h VAL 26 Ca 0.00 -2.33 -0.11 0.00 0.82 0.00 0.00 66.70 65.08 1g11 h VAL 26 Cb 0.49 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1g11 h VAL 26 CO 0.00 0.62 -0.28 -0.29 0.02 0.00 0.00 177.57 177.64 1g11 h ILE 27 N -0.48 1.28 -0.46 4.57 6.09 -0.76 0.56 117.51 128.32 1g11 h ILE 27 Ca -0.31 -1.37 -0.08 0.00 -1.37 0.00 0.00 64.86 61.72 1g11 h ILE 27 Cb 1.63 1.35 -0.02 0.00 0.47 0.00 0.00 36.82 40.26 1g11 h ILE 27 CO -0.01 0.44 -0.04 -0.08 -3.07 0.00 0.00 178.15 175.39 1g11 h GLU 28 N 0.52 0.84 0.00 2.19 4.22 -1.38 0.18 114.58 121.15 1g11 h GLU 28 Ca 0.07 -0.29 -0.14 0.00 0.08 0.00 0.00 59.36 59.08 1g11 h GLU 28 Cb 0.75 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1g11 h GLU 28 CO 0.06 0.91 -0.65 1.15 -2.18 0.00 0.00 179.01 178.30 1g11 h THR 29 N 0.68 1.22 0.00 0.32 2.02 -1.29 -1.67 112.91 114.19 1g11 h THR 29 Ca 0.12 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1g11 h THR 29 Cb 0.56 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1g11 h THR 29 CO 0.03 0.64 -0.04 0.00 0.37 0.00 0.00 175.52 176.52 1g11 h ALA 30 N 1.35 0.98 0.13 6.16 0.00 0.36 -2.68 119.26 125.55 1g11 h ALA 30 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1g11 h ALA 30 Cb 1.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1g11 h ALA 30 CO 0.09 0.00 -1.94 0.93 0.00 0.00 0.00 179.25 178.33 1g11 h GLU 31 N 0.00 0.27 0.00 0.00 4.39 -0.48 -3.35 114.58 115.41 1g11 h GLU 31 Ca 0.00 -0.46 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 1g11 h GLU 31 Cb 0.87 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1g11 h GLU 31 CO 0.00 1.18 -0.37 -0.84 -1.16 0.00 0.00 179.01 177.83 1g11 h ILE 32 N 0.07 1.21 0.00 3.13 -0.00 -1.34 -1.68 117.51 118.90 1g11 h ILE 32 Ca -0.40 -1.28 -0.01 0.00 -0.00 0.00 0.00 64.86 63.17 1g11 h ILE 32 Cb 2.04 1.70 -0.00 0.00 -0.00 0.00 0.00 36.82 40.56 1g11 h ILE 32 CO 0.10 0.36 -0.06 -0.78 -0.00 0.00 0.00 178.15 177.78 1g11 h ASP 33 N 0.00 0.00 -2.86 2.16 3.58 -1.60 -3.42 116.42 114.28 1g11 h ASP 33 Ca -0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 1g11 h ASP 33 Cb 0.67 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.60 1g11 h ASP 33 CO 0.05 0.06 -0.68 0.21 -2.88 0.00 0.00 179.24 175.99 1g11 s ASN 34 N -6.09 4.57 -0.77 2.28 3.04 -0.63 -5.01 114.94 112.34 1g11 s ASN 34 Ca -0.04 -0.48 -0.06 0.00 0.04 0.00 0.00 52.86 52.32 1g11 s ASN 34 Cb 0.14 -0.90 -0.12 0.00 -1.54 0.00 0.00 41.25 38.83 1g11 s ASN 34 CO 0.56 0.09 2.63 -0.81 -3.04 0.00 0.00 177.10 176.52 1g11 n PRO 35 N -0.14 2.31 -2.23 0.43 -0.04 -1.26 -4.66 135.00 129.41 1g11 n PRO 35 Ca -0.10 -1.40 -0.40 0.00 -0.04 0.00 0.00 63.50 61.57 1g11 n PRO 35 Cb 0.56 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.28 5.57 2.14 0.55 0.00 -1.26 -4.75 105.19 110.73 1g11 n GLY 36 Ca 0.49 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 1g11 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g11 n LYS 37 N 0.81 2.04 -2.65 1.61 5.02 -1.26 -3.81 118.16 119.91 1g11 n LYS 37 Ca 0.55 -1.69 -0.03 0.00 -2.02 0.00 0.00 58.31 55.12 1g11 n LYS 37 Cb 0.27 -1.87 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1g11 n GLU 38 N 1.04 0.08 -4.23 1.97 0.28 -1.26 -5.16 120.64 113.37 1g11 n GLU 38 Ca 0.38 -0.59 -0.19 0.00 -0.16 0.00 0.00 57.16 56.60 1g11 n GLU 38 Cb 0.62 -0.01 -0.12 0.00 1.43 0.00 0.00 31.44 33.36 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 1.16 -0.26 3.84 1.09 -1.25 -4.58 121.20 121.22 1g11 s ILE 39 Ca 0.03 -1.24 -0.01 0.00 -1.10 0.00 0.00 60.65 58.33 1g11 s ILE 39 Cb 0.05 -1.09 0.04 0.00 -1.06 0.00 0.00 42.46 40.40 1g11 s ILE 39 CO -0.02 -0.15 -0.07 -0.89 -0.10 0.00 0.00 174.94 173.71 1g11 s THR 40 N -1.15 2.71 -0.19 2.92 2.01 -0.44 -4.99 115.64 116.51 1g11 s THR 40 Ca -0.00 -1.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.69 1g11 s THR 40 Cb -0.09 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1g11 s THR 40 CO 0.02 0.10 0.08 -0.69 -0.69 0.00 0.00 174.62 173.44 1g11 s VAL 41 N 1.26 4.90 -0.65 3.82 1.01 -1.26 -0.66 120.40 128.82 1g11 s VAL 41 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1g11 s VAL 41 Cb -0.18 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 33.14 1g11 s VAL 41 CO -0.04 0.45 0.44 -1.61 0.00 0.00 0.00 175.10 174.33 1g11 s GLU 42 N 0.45 2.44 -0.22 2.72 0.41 0.59 -5.00 118.70 120.09 1g11 s GLU 42 Ca 0.04 -2.90 -0.13 0.00 -0.41 0.00 0.00 54.97 51.57 1g11 s GLU 42 Cb -0.12 -3.54 -0.04 0.00 -1.78 0.00 0.00 34.13 28.64 1g11 s GLU 42 CO 0.00 -1.20 0.28 -0.51 -0.49 0.00 0.00 175.26 173.35 1g11 s ASP 43 N -0.37 6.27 -0.22 -0.19 1.01 -1.26 -2.02 116.67 119.90 1g11 s ASP 43 Ca 0.21 0.31 -0.16 0.00 0.71 0.00 0.00 52.55 53.61 1g11 s ASP 43 Cb -0.16 -2.17 -0.11 0.00 1.01 0.00 0.00 42.92 41.48 1g11 s ASP 43 CO -0.07 -0.01 -0.18 -1.14 0.21 0.00 0.00 175.17 173.98 1g11 n ARG 44 N 4.42 0.55 0.00 8.23 3.00 -1.24 -5.02 116.66 126.60 1g11 n ARG 44 Ca -0.12 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1g11 n ARG 44 Cb 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.40 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 -4.39 0.00 -0.19 -0.14 1.74 -1.26 -4.91 116.66 107.51 1g11 n ARG 45 Ca -0.34 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.79 1g11 n ARG 45 Cb 0.67 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.25 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g11 n ALA 46 N 0.00 2.57 -3.44 7.54 0.00 -1.26 -3.51 120.51 122.41 1g11 n ALA 46 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1g11 n ALA 46 Cb 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 1g11 n ALA 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1g11 s TYR 47 N -1.62 0.51 -0.26 0.00 1.51 -0.40 -3.51 117.35 113.58 1g11 s TYR 47 Ca 0.20 -1.01 -0.08 0.00 -1.01 0.00 0.00 57.07 55.18 1g11 s TYR 47 Cb 0.12 0.47 0.12 0.00 -0.11 0.00 0.00 41.96 42.56 1g11 s TYR 47 CO 0.12 -1.41 0.54 0.08 -1.11 0.00 0.00 175.55 173.77 1g11 s VAL 48 N -2.57 -0.84 0.07 0.71 1.01 -0.68 -3.71 120.40 114.39 1g11 s VAL 48 Ca 0.22 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1g11 s VAL 48 Cb -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1g11 s VAL 48 CO 0.15 0.02 -0.23 -0.60 0.00 0.00 0.00 175.10 174.45 1g11 s ARG 49 N 2.76 1.80 0.13 2.72 3.52 -0.85 -2.23 118.95 126.80 1g11 s ARG 49 Ca -0.01 -1.13 0.05 0.00 -0.13 0.00 0.00 55.73 54.51 1g11 s ARG 49 Cb -0.12 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 1g11 s ARG 49 CO -0.16 0.50 -0.12 0.42 -0.81 0.00 0.00 175.30 175.13 1g11 s ILE 50 N -0.94 1.20 -0.10 4.11 1.01 -0.82 -0.30 121.20 125.35 1g11 s ILE 50 Ca 0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.89 1g11 s ILE 50 Cb -0.10 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.78 1g11 s ILE 50 CO 0.05 -0.59 0.22 0.00 0.00 0.00 0.00 174.94 174.62 1g11 s ALA 51 N -2.71 -0.43 -0.03 9.38 0.00 0.16 -3.36 121.76 124.77 1g11 s ALA 51 Ca 0.12 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1g11 s ALA 51 Cb -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1g11 s ALA 51 CO 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 175.76 175.35 1g11 s ALA 52 N 1.92 0.22 -1.26 0.00 0.00 -1.12 -1.32 121.76 120.20 1g11 s ALA 52 Ca -0.03 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 1g11 s ALA 52 Cb -0.12 -0.32 0.18 0.00 0.00 0.00 0.00 23.12 22.86 1g11 s ALA 52 CO -0.08 -0.12 1.78 0.39 0.00 0.00 0.00 175.76 177.73 1g11 n GLU 53 N 4.26 3.64 0.00 0.00 4.71 -1.26 0.36 120.64 132.34 1g11 n GLU 53 Ca -0.25 -3.65 0.00 0.00 -0.01 0.00 0.00 57.16 53.25 1g11 n GLU 53 Cb 0.50 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.02 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 2.89 -0.38 3.64 0.62 0.00 -0.98 -4.84 105.19 106.14 1g11 n GLY 54 Ca 0.38 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1g11 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g11 s GLU 55 N 0.00 0.02 0.26 1.61 -1.05 -1.26 -2.83 118.70 115.45 1g11 s GLU 55 Ca 0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.83 1g11 s GLU 55 Cb 0.00 0.01 -0.03 0.00 -0.44 0.00 0.00 34.13 33.67 1g11 s GLU 55 CO 0.00 -0.01 0.23 -0.51 0.95 0.00 0.00 175.26 175.92 1g11 s LEU 56 N -2.12 1.33 -0.12 1.83 2.01 0.13 -4.95 118.68 116.79 1g11 s LEU 56 Ca 0.12 -1.51 -0.11 0.00 0.01 0.00 0.00 54.13 52.64 1g11 s LEU 56 Cb -0.00 0.59 0.03 0.00 0.01 0.00 0.00 46.19 46.82 1g11 s LEU 56 CO -0.03 -0.97 0.31 0.27 1.01 0.00 0.00 176.35 176.94 1g11 s ILE 57 N -3.80 -0.00 0.18 -0.59 -5.25 -1.26 -0.02 121.20 110.45 1g11 s ILE 57 Ca 0.38 0.00 0.08 0.00 -0.99 0.00 0.00 60.65 60.13 1g11 s ILE 57 Cb 0.04 -0.44 -0.04 0.00 2.95 0.00 0.00 42.46 44.97 1g11 s ILE 57 CO 0.18 0.00 -0.17 -0.76 -1.79 0.00 0.00 174.94 172.40 1g11 s LEU 58 N 0.19 2.47 0.00 0.37 1.43 0.52 -4.79 118.68 118.87 1g11 s LEU 58 Ca -0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1g11 s LEU 58 Cb -0.02 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1g11 s LEU 58 CO 0.00 -0.07 0.71 0.35 0.23 0.00 0.00 176.35 177.57 1g11 n THR 59 N 0.10 0.00 -0.93 5.49 -2.24 -1.26 -2.39 114.28 113.05 1g11 n THR 59 Ca -0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1g11 n THR 59 Cb 0.58 0.61 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 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 5.12 -1.26 -4.47 116.66 117.35 1g11 n ARG 60 Ca 0.00 -1.41 0.18 0.00 -1.93 0.00 0.00 57.85 54.69 1g11 n ARG 60 Cb 0.60 -1.62 0.95 0.00 -1.16 0.00 0.00 32.46 31.23 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1g11 h LYS 61 N 1.72 0.00 -0.01 5.56 -0.00 -1.90 -0.31 116.57 121.63 1g11 h LYS 61 Ca 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.90 1g11 h LYS 61 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.16 1g11 h LYS 61 CO 0.63 0.00 -0.01 1.15 -0.00 0.00 0.00 179.45 181.22 1g11 h THR 62 N 0.00 1.44 -0.42 0.07 2.02 -1.92 0.26 112.91 114.36 1g11 h THR 62 Ca 0.03 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 65.91 1g11 h THR 62 Cb 0.42 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1g11 h THR 62 CO -0.00 0.34 0.27 0.25 0.37 0.00 0.00 175.52 176.75 1g11 h LEU 63 N -0.52 0.46 -0.59 2.58 6.46 -1.46 0.48 115.31 122.72 1g11 h LEU 63 Ca 0.00 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1g11 h LEU 63 Cb 0.56 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1g11 h LEU 63 CO 0.00 0.34 0.09 -0.33 -0.62 0.00 0.00 178.44 177.92 1g11 h GLU 64 N 0.55 0.97 -0.53 1.25 5.08 -1.37 -0.88 114.58 119.65 1g11 h GLU 64 Ca 0.16 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1g11 h GLU 64 Cb -0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1g11 h GLU 64 CO -0.04 0.93 0.17 0.93 -1.00 0.00 0.00 179.01 180.00 1g11 h GLU 65 N 0.87 0.82 0.24 2.33 5.08 0.09 -3.05 114.58 120.96 1g11 h GLU 65 Ca 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1g11 h GLU 65 Cb 0.43 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1g11 h GLU 65 CO 0.01 0.75 -0.11 1.96 -1.00 0.00 0.00 179.01 180.62 1g11 h GLN 66 N 0.73 -0.31 -1.92 2.33 4.20 0.16 1.61 115.11 121.92 1g11 h GLN 66 Ca 0.17 0.02 0.56 0.00 0.06 0.00 0.00 58.65 59.46 1g11 h GLN 66 Cb 0.27 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 1g11 h GLN 66 CO -0.01 -0.16 1.40 -0.07 -0.67 0.00 0.00 178.83 179.32 1g11 h LEU 67 N -0.37 0.00 -5.08 1.46 3.38 -1.05 -2.62 115.31 111.02 1g11 h LEU 67 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 1g11 h LEU 67 Cb 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.87 1g11 h LEU 67 CO 0.05 0.00 -0.53 0.61 0.09 0.00 0.00 178.44 178.67 1g11 n GLY 68 N -1.91 0.44 0.30 0.83 0.00 -0.71 -4.99 105.19 99.15 1g11 n GLY 68 Ca 0.43 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 3.67 0.76 0.00 1.61 3.08 0.27 0.44 114.38 124.21 1g11 h ARG 69 Ca -0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1g11 h ARG 69 Cb 1.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1g11 h ARG 69 CO 0.28 0.50 0.00 -0.35 -1.07 0.00 0.00 179.97 179.33 1g11 n PRO 70 N -4.75 0.75 -2.53 0.04 -0.04 -1.26 -4.77 135.00 122.44 1g11 n PRO 70 Ca 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 1g11 n PRO 70 Cb 0.27 -1.32 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.82 -2.56 -4.14 0.54 -1.74 0.15 -5.14 117.46 103.76 1g11 n PHE 71 Ca 0.12 -1.68 -0.10 0.00 -0.56 0.00 0.00 57.45 55.23 1g11 n PHE 71 Cb 0.05 -0.49 -0.10 0.00 1.52 0.00 0.00 39.48 40.47 1g11 n PHE 71 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1g11 s ASN 72 N -4.05 0.25 0.36 5.98 0.01 -1.26 -5.02 114.94 111.21 1g11 s ASN 72 Ca 0.51 -1.20 0.26 0.00 -0.71 0.00 0.00 52.86 51.72 1g11 s ASN 72 Cb -0.04 0.33 1.23 0.00 0.41 0.00 0.00 41.25 43.17 1g11 s ASN 72 CO 0.33 -0.77 1.79 0.00 -1.51 0.00 0.00 177.10 176.95 1g11 h MET 73 N 2.79 0.00 -0.09 -0.60 -0.00 -2.00 -2.28 114.93 112.74 1g11 h MET 73 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.34 1g11 h MET 73 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 1g11 h MET 73 CO 0.57 0.00 0.02 0.37 -0.00 0.00 0.00 176.91 177.87 1g11 h GLN 74 N 0.00 0.13 0.00 -0.10 4.15 -2.00 -0.07 115.11 117.22 1g11 h GLN 74 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1g11 h GLN 74 Cb 0.24 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1g11 h GLN 74 CO 0.00 0.12 -0.52 0.93 -1.93 0.00 0.00 178.83 177.43 1g11 h GLU 75 N 0.13 0.00 -0.16 1.69 5.08 -1.82 -1.05 114.58 118.45 1g11 h GLU 75 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1g11 h GLU 75 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1g11 h GLU 75 CO -0.00 0.52 0.06 -0.07 -1.00 0.00 0.00 179.01 178.51 1g11 h LEU 76 N 0.00 0.22 -0.78 1.33 3.38 -1.15 1.65 115.31 119.96 1g11 h LEU 76 Ca -0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1g11 h LEU 76 Cb 1.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1g11 h LEU 76 CO 0.07 0.33 -0.35 1.05 0.09 0.00 0.00 178.44 179.63 1g11 h GLU 77 N 0.09 0.00 0.00 1.13 4.11 -1.43 -3.33 114.58 115.15 1g11 h GLU 77 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1g11 h GLU 77 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1g11 h GLU 77 CO -0.00 0.35 -0.01 0.82 0.07 0.00 0.00 179.01 180.23 1g11 h ILE 78 N 0.00 0.00 -0.64 -1.06 1.08 -0.72 -3.40 117.51 112.77 1g11 h ILE 78 Ca -0.00 -0.42 -0.33 0.00 -0.39 0.00 0.00 64.86 63.72 1g11 h ILE 78 Cb 0.95 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 1g11 h ILE 78 CO 0.05 0.00 0.93 0.20 -0.69 0.00 0.00 178.15 178.64 1g11 s ASN 79 N -4.08 5.21 0.20 1.72 -0.87 0.56 -4.84 114.94 112.84 1g11 s ASN 79 Ca -0.00 -1.13 -0.10 0.00 -1.57 0.00 0.00 52.86 50.06 1g11 s ASN 79 Cb 0.00 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.65 1g11 s ASN 79 CO 0.00 -2.77 0.36 -1.48 -2.57 0.00 0.00 177.10 170.64 1g11 s LEU 80 N 10.05 0.66 0.00 0.60 0.05 -1.26 -4.73 118.68 124.04 1g11 s LEU 80 Ca 0.68 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.93 1g11 s LEU 80 Cb -0.04 1.39 0.00 0.00 -2.05 0.00 0.00 46.19 45.50 1g11 s LEU 80 CO 0.04 -1.00 0.00 0.00 -0.55 0.00 0.00 176.35 174.84 1g11 n ALA 81 N -0.30 2.80 -3.56 1.48 0.00 -1.16 -4.80 120.51 114.97 1g11 n ALA 81 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1g11 n ALA 81 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.20 -0.69 -3.58 0.00 2.88 -0.29 -5.00 113.62 104.75 1g11 n SER 82 Ca 0.00 -2.02 -0.02 0.00 -1.33 0.00 0.00 58.87 55.50 1g11 n SER 82 Cb 0.00 1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 64.71 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 -3.77 -0.82 -0.58 0.66 0.08 -1.26 -1.77 117.98 110.52 1g11 s PHE 83 Ca 0.16 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.74 1g11 s PHE 83 Cb -0.00 0.49 0.50 0.00 -0.57 0.00 0.00 43.02 43.44 1g11 s PHE 83 CO 0.11 -0.41 1.93 0.00 -0.10 0.00 0.00 175.22 176.76 1g11 n ALA 84 N 4.45 6.01 -3.00 5.36 0.00 0.28 -4.93 120.51 128.68 1g11 n ALA 84 Ca -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1g11 n ALA 84 Cb 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.97 1.49 3.42 0.00 0.00 -1.26 -2.87 105.19 105.01 1g11 n GLY 85 Ca 0.60 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 1.72 1.55 0.07 1.61 2.00 -0.08 -4.96 119.66 121.56 1g11 s GLN 86 Ca 0.00 -1.79 -0.05 0.00 -2.00 0.00 0.00 55.36 51.52 1g11 s GLN 86 Cb 0.00 -1.11 -0.02 0.00 0.80 0.00 0.00 33.01 32.68 1g11 s GLN 86 CO 0.00 0.02 0.08 -1.50 -0.50 0.00 0.00 175.29 173.39 1g11 s ILE 87 N -3.05 0.18 0.33 -2.34 2.07 -1.26 -2.41 121.20 114.73 1g11 s ILE 87 Ca 0.30 -1.48 -0.09 0.00 -1.41 0.00 0.00 60.65 57.96 1g11 s ILE 87 Cb 0.04 -1.42 0.02 0.00 0.13 0.00 0.00 42.46 41.23 1g11 s ILE 87 CO 0.12 -0.82 0.58 -1.10 -1.91 0.00 0.00 174.94 171.81 1g11 s GLN 88 N -3.87 1.93 0.04 3.50 -0.21 0.07 -4.98 119.66 116.14 1g11 s GLN 88 Ca 0.06 -1.53 -0.18 0.00 0.02 0.00 0.00 55.36 53.73 1g11 s GLN 88 Cb 0.06 0.51 0.04 0.00 1.00 0.00 0.00 33.01 34.62 1g11 s GLN 88 CO -0.10 -0.84 0.42 0.00 -2.12 0.00 0.00 175.29 172.65 1g11 s ALA 89 N -3.07 -1.03 0.12 6.09 0.00 -1.26 -0.13 121.76 122.47 1g11 s ALA 89 Ca 0.24 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1g11 s ALA 89 Cb -0.02 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1g11 s ALA 89 CO 0.15 -0.45 0.00 -3.47 0.00 0.00 0.00 175.76 171.99 1g11 n ASP 90 N 0.54 2.31 -0.22 0.00 -0.08 0.17 -4.91 116.55 114.36 1g11 n ASP 90 Ca -0.19 -1.51 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 1g11 n ASP 90 Cb 0.60 0.08 0.04 0.00 2.34 0.00 0.00 41.12 44.18 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 -0.29 -0.12 -2.90 -0.67 0.28 -1.26 -2.83 120.64 112.85 1g11 n GLU 91 Ca -0.05 0.90 -0.12 0.00 -0.16 0.00 0.00 57.16 57.73 1g11 n GLU 91 Cb 0.15 -1.34 0.04 0.00 1.43 0.00 0.00 31.44 31.72 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 -4.88 -1.23 -3.77 -1.84 9.92 -1.26 -5.12 116.55 108.37 1g11 n ASP 92 Ca 0.07 -3.42 -0.06 0.00 -0.53 0.00 0.00 54.79 50.84 1g11 n ASP 92 Cb 0.25 0.99 -0.02 0.00 -0.64 0.00 0.00 41.12 41.70 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 -0.67 1.51 -0.08 -1.24 -2.07 -1.13 -4.55 119.66 111.44 1g11 s GLN 93 Ca 0.29 -0.81 -0.01 0.00 -1.82 0.00 0.00 55.36 53.01 1g11 s GLN 93 Cb 0.30 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.78 1g11 s GLN 93 CO -0.07 -0.69 -0.02 -1.50 -1.32 0.00 0.00 175.29 171.69 1g11 s ILE 94 N -3.67 0.54 0.27 3.63 2.07 -1.00 -0.66 121.20 122.39 1g11 s ILE 94 Ca 0.10 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.43 1g11 s ILE 94 Cb -0.04 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 1g11 s ILE 94 CO 0.03 0.29 0.19 -0.13 -1.91 0.00 0.00 174.94 173.41 1g11 s ARG 95 N 1.87 2.83 -0.01 3.50 0.52 0.81 -0.36 118.95 128.11 1g11 s ARG 95 Ca 0.04 -1.13 -0.03 0.00 -0.52 0.00 0.00 55.73 54.09 1g11 s ARG 95 Cb -0.12 -2.51 -0.00 0.00 0.52 0.00 0.00 34.95 32.84 1g11 s ARG 95 CO -0.06 0.34 0.05 -0.06 0.02 0.00 0.00 175.30 175.60 1g11 s PHE 96 N -2.18 0.04 -0.22 -0.53 0.08 0.97 -0.75 117.98 115.39 1g11 s PHE 96 Ca 0.34 -0.08 -0.35 0.00 0.12 0.00 0.00 56.93 56.96 1g11 s PHE 96 Cb -0.07 -0.05 0.15 0.00 -0.57 0.00 0.00 43.02 42.47 1g11 s PHE 96 CO 0.25 -0.13 1.25 1.52 -0.10 0.00 0.00 175.22 178.01 1g11 s TYR 97 N -0.67 -0.11 -0.78 0.36 -0.85 -1.01 0.19 117.35 114.48 1g11 s TYR 97 Ca -0.07 0.08 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 1g11 s TYR 97 Cb -0.05 0.51 0.20 0.00 0.38 0.00 0.00 41.96 43.00 1g11 s TYR 97 CO 0.00 -0.16 0.67 0.12 -1.52 0.00 0.00 175.55 174.66 1g11 s PHE 98 N -2.17 3.68 -0.07 -3.49 5.36 -1.13 -0.91 117.98 119.25 1g11 s PHE 98 Ca 0.09 -2.51 -0.02 0.00 -0.96 0.00 0.00 56.93 53.54 1g11 s PHE 98 Cb -0.01 -3.48 0.03 0.00 -0.34 0.00 0.00 43.02 39.22 1g11 s PHE 98 CO -0.04 -0.89 0.04 -0.51 -1.46 0.00 0.00 175.22 172.36 1g11 s ASP 99 N 1.13 1.54 0.00 6.13 1.11 -1.26 -3.46 116.67 121.86 1g11 s ASP 99 Ca 0.20 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 52.83 1g11 s ASP 99 Cb -0.14 -0.30 0.00 0.00 1.07 0.00 0.00 42.92 43.55 1g11 s ASP 99 CO -0.07 -0.24 0.05 0.29 1.18 0.00 0.00 175.17 176.38 1g11 n LYS 100 N 5.22 0.00 -2.25 8.23 5.02 -1.26 -4.80 118.16 128.31 1g11 n LYS 100 Ca -0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 1g11 n LYS 100 Cb 0.50 -0.45 -0.03 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.10 3.53 -1.66 -0.18 -1.32 -1.26 -5.12 115.64 109.53 1g11 s THR 101 Ca 0.00 1.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.59 1g11 s THR 101 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 1g11 s THR 101 CO 0.00 0.09 0.41 0.23 -2.21 0.00 0.00 174.62 173.15