#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 -9.69 -3.57 0.44 -1.04 -1.26 -5.05 114.28 94.12 1g11 n THR 2 Ca 0.00 2.95 -0.10 0.00 -2.04 0.00 0.00 64.05 64.86 1g11 n THR 2 Cb 0.00 -4.47 -0.10 0.00 -1.82 0.00 0.00 70.33 63.94 1g11 n THR 2 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1g11 s LEU 3 N -1.16 -0.58 -0.02 -4.42 0.05 -1.26 -5.12 118.68 106.17 1g11 s LEU 3 Ca 0.00 0.69 -0.30 0.00 0.05 0.00 0.00 54.13 54.57 1g11 s LEU 3 Cb 0.00 1.16 -0.07 0.00 -2.05 0.00 0.00 46.19 45.24 1g11 s LEU 3 CO 0.00 -0.25 1.74 0.00 -0.55 0.00 0.00 176.35 177.29 1g11 s ALA 4 N 2.56 3.61 -0.30 1.48 0.00 -1.26 -4.93 121.76 122.92 1g11 s ALA 4 Ca 0.03 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 1g11 s ALA 4 Cb -0.13 -3.77 0.18 0.00 0.00 0.00 0.00 23.12 19.40 1g11 s ALA 4 CO -0.13 -1.43 0.82 0.34 0.00 0.00 0.00 175.76 175.36 1g11 s ASP 5 N 3.60 -0.93 0.11 0.00 -1.08 -1.26 -5.17 116.67 111.95 1g11 s ASP 5 Ca 0.78 0.63 0.03 0.00 -0.52 0.00 0.00 52.55 53.47 1g11 s ASP 5 Cb -0.36 1.80 -0.04 0.00 -1.46 0.00 0.00 42.92 42.86 1g11 s ASP 5 CO 0.33 -0.17 0.15 -1.58 0.52 0.00 0.00 175.17 174.42 1g11 s GLN 6 N 2.88 3.07 -0.45 4.34 0.74 -1.26 -5.05 119.66 123.93 1g11 s GLN 6 Ca 0.09 -0.68 0.07 0.00 0.05 0.00 0.00 55.36 54.89 1g11 s GLN 6 Cb -0.12 -2.79 0.28 0.00 1.10 0.00 0.00 33.01 31.47 1g11 s GLN 6 CO -0.16 0.54 0.88 0.00 -0.55 0.00 0.00 175.29 176.00 1g11 n ALA 7 N 0.04 -0.17 0.09 1.58 0.00 -1.26 -4.98 120.51 115.83 1g11 n ALA 7 Ca -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1g11 n ALA 7 Cb 0.53 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.07 -0.02 -4.26 0.00 4.77 -1.26 -5.09 117.00 112.20 1g11 n LEU 8 Ca 0.12 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 56.13 1g11 n LEU 8 Cb 0.64 0.22 0.25 0.00 -2.33 0.00 0.00 43.42 42.20 1g11 n LEU 8 CO 0.08 -0.70 0.20 0.00 -1.33 0.00 0.00 177.39 175.65 1g11 n HIS 9 N -3.17 -2.49 -2.77 -1.77 1.44 -1.26 -3.71 115.22 101.49 1g11 n HIS 9 Ca 0.00 -0.36 -0.40 0.00 -2.01 0.00 0.00 57.72 54.95 1g11 n HIS 9 Cb 0.00 -1.48 -0.06 0.00 0.12 0.00 0.00 29.99 28.57 1g11 n HIS 9 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1g11 s ASN 10 N -2.50 7.62 0.00 4.39 4.22 -1.26 -4.60 114.94 122.81 1g11 s ASN 10 Ca 0.61 1.91 0.00 0.00 -2.14 0.00 0.00 52.86 53.24 1g11 s ASN 10 Cb -0.15 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.78 1g11 s ASN 10 CO 0.57 0.15 0.00 0.59 -2.04 0.00 0.00 177.10 176.37 1g11 n ASN 11 N 1.59 0.02 0.00 3.54 3.02 -1.16 -5.00 115.26 117.27 1g11 n ASN 11 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1g11 n ASN 11 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1g11 n ASN 11 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1g11 n ASN 12 N -2.38 0.00 -4.68 6.41 5.15 0.21 -4.63 115.26 115.34 1g11 n ASN 12 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1g11 n ASN 12 Cb 0.02 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.19 1g11 n ASN 12 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1g11 s VAL 13 N -1.75 2.67 -0.45 3.44 -7.23 0.18 -4.77 120.40 112.49 1g11 s VAL 13 Ca 0.00 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1g11 s VAL 13 Cb 0.00 -2.90 0.18 0.00 0.56 0.00 0.00 36.38 34.22 1g11 s VAL 13 CO 0.00 -0.15 0.60 -0.83 -0.31 0.00 0.00 175.10 174.41 1g11 s GLY 14 N -3.79 -0.83 0.07 2.32 0.00 -1.26 -2.54 107.32 101.28 1g11 s GLY 14 Ca 0.37 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1g11 s GLY 14 CO 0.21 3.37 1.17 2.56 0.00 0.00 0.00 173.10 180.41 1g11 s PRO 15 N 1.24 4.46 -0.05 2.90 0.04 -1.24 -2.11 135.00 140.24 1g11 s PRO 15 Ca 0.23 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1g11 s PRO 15 Cb -0.04 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1g11 s PRO 15 CO -0.07 -0.20 -0.20 0.42 0.04 0.00 0.00 177.00 177.00 1g11 s ILE 16 N 0.90 2.57 0.16 0.56 -1.09 -0.76 -2.44 121.20 121.09 1g11 s ILE 16 Ca 0.57 -0.90 -0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1g11 s ILE 16 Cb -0.29 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1g11 s ILE 16 CO 0.30 0.58 0.29 2.30 -1.23 0.00 0.00 174.94 177.18 1g11 n ILE 17 N 2.56 0.00 -0.67 2.92 -5.35 -0.68 -2.34 119.36 115.80 1g11 n ILE 17 Ca -0.17 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1g11 n ILE 17 Cb 0.52 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1g11 n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g11 n ARG 18 N -0.22 0.21 -3.54 6.28 1.74 -1.26 -1.86 116.66 118.01 1g11 n ARG 18 Ca -0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 1g11 n ARG 18 Cb 0.24 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.64 1g11 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g11 s ALA 19 N -3.89 -1.87 0.00 7.54 0.00 -1.18 -1.52 121.76 120.85 1g11 s ALA 19 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1g11 s ALA 19 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1g11 s ALA 19 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1g11 n GLY 20 N 0.34 0.47 0.00 0.00 0.00 -1.26 -4.78 105.19 99.96 1g11 n GLY 20 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.02 -1.50 1.61 2.03 -1.26 -4.96 116.55 112.49 1g11 n ASP 21 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1g11 n ASP 21 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 4.46 0.00 -2.67 7.99 -1.26 -4.06 117.00 121.46 1g11 n LEU 22 Ca 0.00 -2.32 0.10 0.00 -0.01 0.00 0.00 56.01 53.78 1g11 n LEU 22 Cb 0.00 -0.65 0.47 0.00 -0.11 0.00 0.00 43.42 43.13 1g11 n LEU 22 CO 0.00 0.69 0.84 0.52 -1.51 0.00 0.00 177.39 177.93 1g11 n VAL 23 N -0.16 0.50 0.03 4.08 0.31 -1.26 -1.72 118.33 120.12 1g11 n VAL 23 Ca 0.25 0.13 -0.03 0.00 -0.01 0.00 0.00 64.34 64.68 1g11 n VAL 23 Cb 0.99 -0.76 -0.01 0.00 -0.91 0.00 0.00 33.84 33.15 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 -0.18 0.00 5.55 5.08 -1.99 -0.87 114.58 122.17 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1g11 h GLU 24 Cb 0.35 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1g11 h GLU 24 CO 0.00 -0.12 0.00 -0.35 -1.00 0.00 0.00 179.01 177.54 1g11 n PRO 25 N -4.68 0.02 -0.04 2.33 -0.04 -1.22 -1.33 135.00 130.03 1g11 n PRO 25 Ca -0.02 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1g11 n PRO 25 Cb 0.07 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1g11 n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1g11 n VAL 26 N -1.49 1.68 -0.08 0.52 0.31 -0.70 -2.70 118.33 115.88 1g11 n VAL 26 Ca 0.06 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1g11 n VAL 26 Cb 0.25 -1.87 0.01 0.00 -0.91 0.00 0.00 33.84 31.32 1g11 n VAL 26 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1g11 h ILE 27 N -0.38 1.28 -0.30 2.52 6.09 -1.06 0.59 117.51 126.25 1g11 h ILE 27 Ca -0.40 -1.61 -0.05 0.00 -1.37 0.00 0.00 64.86 61.43 1g11 h ILE 27 Cb 1.73 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 40.50 1g11 h ILE 27 CO -0.04 0.53 -0.01 -0.08 -3.07 0.00 0.00 178.15 175.48 1g11 h GLU 28 N 0.66 0.54 0.00 2.19 4.22 -1.38 -0.86 114.58 119.95 1g11 h GLU 28 Ca 0.04 -0.18 -0.14 0.00 0.08 0.00 0.00 59.36 59.16 1g11 h GLU 28 Cb 1.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1g11 h GLU 28 CO 0.10 0.69 -0.68 1.15 -2.18 0.00 0.00 179.01 178.08 1g11 h THR 29 N 0.32 1.47 0.00 0.32 2.02 -1.45 -2.39 112.91 113.21 1g11 h THR 29 Ca 0.08 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1g11 h THR 29 Cb 0.46 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1g11 h THR 29 CO 0.02 0.67 0.00 0.00 0.37 0.00 0.00 175.52 176.58 1g11 n ALA 30 N -2.40 1.97 -0.01 6.16 0.00 0.21 -2.15 120.51 124.29 1g11 n ALA 30 Ca -0.01 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1g11 n ALA 30 Cb 0.68 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 1g11 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g11 h GLU 31 N 0.00 0.22 0.00 0.00 4.39 -0.76 -3.34 114.58 115.10 1g11 h GLU 31 Ca 0.00 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1g11 h GLU 31 Cb 0.55 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1g11 h GLU 31 CO 0.00 1.18 -0.14 -0.84 -1.16 0.00 0.00 179.01 178.05 1g11 h ILE 32 N -0.25 0.52 -0.86 3.13 -0.00 -1.37 -2.30 117.51 116.39 1g11 h ILE 32 Ca -0.36 -0.69 0.02 0.00 -0.00 0.00 0.00 64.86 63.83 1g11 h ILE 32 Cb 1.81 1.46 -0.04 0.00 -0.00 0.00 0.00 36.82 40.05 1g11 h ILE 32 CO 0.03 0.14 0.56 -0.78 -0.00 0.00 0.00 178.15 178.11 1g11 h ASP 33 N 0.00 0.96 -2.75 2.16 1.82 -1.55 -3.41 116.42 113.66 1g11 h ASP 33 Ca -0.00 -0.02 -0.65 0.00 -0.39 0.00 0.00 57.03 55.97 1g11 h ASP 33 Cb 0.45 -0.23 -0.06 0.00 0.68 0.00 0.00 39.33 40.16 1g11 h ASP 33 CO 0.02 0.69 -0.44 0.21 -1.61 0.00 0.00 179.24 178.11 1g11 s ASN 34 N -5.95 6.45 -0.52 2.28 2.47 -0.87 -4.97 114.94 113.83 1g11 s ASN 34 Ca -0.13 0.52 -0.06 0.00 0.42 0.00 0.00 52.86 53.61 1g11 s ASN 34 Cb 0.16 -2.08 -0.14 0.00 -1.45 0.00 0.00 41.25 37.74 1g11 s ASN 34 CO 0.79 0.35 2.68 -0.81 -3.72 0.00 0.00 177.10 176.40 1g11 n PRO 35 N 1.66 2.04 -2.35 0.43 -0.04 -1.26 -4.65 135.00 130.82 1g11 n PRO 35 Ca -0.16 -1.18 -0.41 0.00 -0.04 0.00 0.00 63.50 61.71 1g11 n PRO 35 Cb 0.54 -2.18 0.01 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.08 5.69 2.38 0.55 0.00 -1.26 -4.84 105.19 110.79 1g11 n GLY 36 Ca 0.44 -2.34 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 0.82 2.27 0.00 1.61 0.00 -1.26 -2.98 118.16 118.62 1g11 n LYS 37 Ca 0.53 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 57.45 1g11 n LYS 37 Cb 0.26 -2.34 0.00 0.00 -0.00 0.00 0.00 35.03 32.95 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 3.53 0.00 -4.32 -1.58 0.28 -1.26 -5.16 120.64 112.13 1g11 n GLU 38 Ca 0.48 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 57.27 1g11 n GLU 38 Cb 0.33 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.09 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 1.74 -0.13 3.84 1.01 -1.16 -4.67 121.20 121.83 1g11 s ILE 39 Ca 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 60.65 58.78 1g11 s ILE 39 Cb 0.00 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1g11 s ILE 39 CO 0.00 -0.32 -0.13 -0.89 0.00 0.00 0.00 174.94 173.60 1g11 s THR 40 N -2.03 1.47 0.22 2.92 2.01 -0.56 -5.00 115.64 114.67 1g11 s THR 40 Ca 0.14 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 1g11 s THR 40 Cb -0.06 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 71.00 1g11 s THR 40 CO 0.06 0.44 0.53 -0.69 -0.69 0.00 0.00 174.62 174.27 1g11 s VAL 41 N 1.39 4.95 -0.50 3.82 1.01 -1.26 -1.11 120.40 128.69 1g11 s VAL 41 Ca 0.02 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1g11 s VAL 41 Cb -0.13 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.81 1g11 s VAL 41 CO -0.08 -0.04 0.45 -0.62 0.00 0.00 0.00 175.10 174.81 1g11 n GLU 42 N -0.06 0.91 -3.03 2.72 1.02 0.53 -4.98 120.64 117.75 1g11 n GLU 42 Ca -0.00 -3.66 -0.44 0.00 -0.02 0.00 0.00 57.16 53.04 1g11 n GLU 42 Cb 0.52 -1.81 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1g11 n GLU 42 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g11 s ASP 43 N -0.77 6.18 0.00 1.62 1.11 -1.26 -2.70 116.67 120.86 1g11 s ASP 43 Ca 0.32 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.79 1g11 s ASP 43 Cb 0.05 -2.34 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1g11 s ASP 43 CO -0.16 -1.20 0.00 -1.14 1.18 0.00 0.00 175.17 173.84 1g11 n ARG 44 N 6.75 0.00 0.00 8.23 3.00 -1.22 -5.04 116.66 128.38 1g11 n ARG 44 Ca -0.08 0.42 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1g11 n ARG 44 Cb 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.98 1g11 n ARG 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1g11 n ARG 45 N -1.86 0.00 0.07 -0.14 0.63 -1.26 -4.97 116.66 109.14 1g11 n ARG 45 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1g11 n ARG 45 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1g11 n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1g11 h ALA 46 N 0.00 -0.04 -2.43 5.13 0.00 -1.96 -3.40 119.26 116.55 1g11 h ALA 46 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 54.91 53.88 1g11 h ALA 46 Cb 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 1g11 h ALA 46 CO 0.00 0.53 -0.62 0.71 0.00 0.00 0.00 179.25 179.87 1g11 s TYR 47 N -2.80 1.37 -0.11 0.00 2.02 -1.26 -3.09 117.35 113.48 1g11 s TYR 47 Ca -0.11 -1.26 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 1g11 s TYR 47 Cb 0.03 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1g11 s TYR 47 CO 0.88 -0.46 -0.18 0.08 -1.57 0.00 0.00 175.55 174.31 1g11 s VAL 48 N -3.92 1.68 0.08 0.71 1.01 -0.57 -3.43 120.40 115.95 1g11 s VAL 48 Ca 0.38 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1g11 s VAL 48 Cb 0.07 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1g11 s VAL 48 CO 0.13 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.61 1g11 s ARG 49 N 0.84 0.75 0.34 2.72 1.70 -1.10 -1.69 118.95 122.51 1g11 s ARG 49 Ca -0.09 -1.07 0.04 0.00 -0.47 0.00 0.00 55.73 54.14 1g11 s ARG 49 Cb -0.16 -0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 1g11 s ARG 49 CO 0.00 0.05 0.15 0.42 -1.08 0.00 0.00 175.30 174.85 1g11 s ILE 50 N -2.34 0.44 -0.17 4.99 1.01 -1.02 -0.35 121.20 123.76 1g11 s ILE 50 Ca 0.02 -2.00 -0.07 0.00 0.00 0.00 0.00 60.65 58.60 1g11 s ILE 50 Cb -0.03 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 40.03 1g11 s ILE 50 CO -0.01 0.00 0.37 0.00 0.00 0.00 0.00 174.94 175.30 1g11 s ALA 51 N -3.44 -0.95 0.21 9.38 0.00 -0.26 -3.60 121.76 123.09 1g11 s ALA 51 Ca 0.32 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.67 1g11 s ALA 51 Cb 0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1g11 s ALA 51 CO 0.17 -0.56 0.12 0.00 0.00 0.00 0.00 175.76 175.49 1g11 n ALA 52 N 5.00 0.37 0.09 0.00 0.00 -1.05 -1.49 120.51 123.41 1g11 n ALA 52 Ca -0.13 -1.14 -0.11 0.00 0.00 0.00 0.00 53.44 52.06 1g11 n ALA 52 Cb 0.51 0.84 -0.08 0.00 0.00 0.00 0.00 19.45 20.72 1g11 n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g11 h GLU 53 N 0.00 0.18 0.00 0.00 5.08 -1.83 0.53 114.58 118.54 1g11 h GLU 53 Ca -0.16 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1g11 h GLU 53 Cb 0.68 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1g11 h GLU 53 CO 0.24 1.06 0.00 0.41 -1.00 0.00 0.00 179.01 179.72 1g11 n GLY 54 N 1.23 0.87 2.69 -3.84 0.00 -1.26 -0.62 105.19 104.25 1g11 n GLY 54 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.20 0.07 0.34 1.61 2.12 -1.24 -2.33 118.70 119.47 1g11 s GLU 55 Ca 0.00 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.34 1g11 s GLU 55 Cb 0.00 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 1g11 s GLU 55 CO 0.00 -0.09 0.17 -0.51 -0.54 0.00 0.00 175.26 174.28 1g11 s LEU 56 N 1.78 1.79 -0.29 2.70 1.43 0.13 -4.97 118.68 121.25 1g11 s LEU 56 Ca 0.16 -1.62 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1g11 s LEU 56 Cb 0.06 0.15 0.18 0.00 0.03 0.00 0.00 46.19 46.61 1g11 s LEU 56 CO -0.15 -0.92 0.52 -0.51 0.23 0.00 0.00 176.35 175.52 1g11 s ILE 57 N -3.46 -0.87 0.21 -0.59 -1.16 -1.26 -1.52 121.20 112.55 1g11 s ILE 57 Ca 0.33 -0.08 -0.07 0.00 -0.51 0.00 0.00 60.65 60.32 1g11 s ILE 57 Cb 0.04 -0.98 -0.06 0.00 0.61 0.00 0.00 42.46 42.07 1g11 s ILE 57 CO 0.18 -0.08 0.49 -0.76 -2.81 0.00 0.00 174.94 171.96 1g11 s LEU 58 N 2.73 4.19 0.00 8.50 1.43 -0.63 -4.67 118.68 130.23 1g11 s LEU 58 Ca 0.13 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1g11 s LEU 58 Cb -0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1g11 s LEU 58 CO -0.25 -0.04 0.58 0.35 0.23 0.00 0.00 176.35 177.21 1g11 n THR 59 N -0.16 0.23 -0.96 5.49 -2.24 -1.26 -1.71 114.28 113.67 1g11 n THR 59 Ca -0.01 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1g11 n THR 59 Cb 0.52 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.11 1.79 0.24 -0.78 5.12 -1.26 -4.34 116.66 117.31 1g11 n ARG 60 Ca 0.00 -1.15 0.11 0.00 -1.93 0.00 0.00 57.85 54.88 1g11 n ARG 60 Cb 0.41 -1.70 0.58 0.00 -1.16 0.00 0.00 32.46 30.59 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 2.19 0.00 -0.11 5.56 5.09 -1.89 -2.26 116.57 125.15 1g11 h LYS 61 Ca 0.21 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.78 1g11 h LYS 61 Cb 1.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.42 1g11 h LYS 61 CO 0.42 0.19 -0.62 0.00 -2.09 0.00 0.00 179.45 177.34 1g11 h THR 62 N 0.00 1.36 -0.28 0.07 1.03 -1.92 0.34 112.91 113.52 1g11 h THR 62 Ca -0.00 -1.96 -0.13 0.00 -0.01 0.00 0.00 66.41 64.31 1g11 h THR 62 Cb 0.56 1.96 -0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1g11 h THR 62 CO 0.02 0.59 -0.32 0.25 -0.01 0.00 0.00 175.52 176.06 1g11 h LEU 63 N 0.28 0.76 -0.46 0.00 6.46 -1.77 0.29 115.31 120.86 1g11 h LEU 63 Ca -0.01 -0.49 -0.10 0.00 -0.12 0.00 0.00 57.88 57.17 1g11 h LEU 63 Cb 1.15 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.85 1g11 h LEU 63 CO 0.10 1.09 -0.47 -0.33 -0.62 0.00 0.00 178.44 178.22 1g11 h GLU 64 N 0.44 0.00 0.15 1.25 4.39 -1.40 -2.05 114.58 117.36 1g11 h GLU 64 Ca 0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 1g11 h GLU 64 Cb 0.90 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1g11 h GLU 64 CO 0.08 0.47 -1.27 0.93 -1.16 0.00 0.00 179.01 178.06 1g11 h GLU 65 N 0.00 0.41 -0.12 2.33 4.39 -0.15 -3.33 114.58 118.11 1g11 h GLU 65 Ca -0.00 -0.64 -0.05 0.00 0.34 0.00 0.00 59.36 59.00 1g11 h GLU 65 Cb 1.17 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1g11 h GLU 65 CO 0.06 1.29 -0.13 1.96 -1.16 0.00 0.00 179.01 181.03 1g11 h GLN 66 N 0.14 0.31 -1.42 2.33 4.20 -0.40 0.41 115.11 120.67 1g11 h GLN 66 Ca -0.17 -0.16 0.41 0.00 0.06 0.00 0.00 58.65 58.79 1g11 h GLN 66 Cb 1.97 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.70 1g11 h GLN 66 CO 0.22 0.71 1.18 -0.07 -0.67 0.00 0.00 178.83 180.20 1g11 h LEU 67 N -0.08 0.00 -5.16 1.46 3.38 -1.47 -2.60 115.31 110.83 1g11 h LEU 67 Ca 0.02 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 1g11 h LEU 67 Cb 0.65 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.22 1g11 h LEU 67 CO 0.03 0.00 -0.58 0.61 0.09 0.00 0.00 178.44 178.59 1g11 n GLY 68 N -1.80 0.76 0.28 0.83 0.00 -1.08 -4.99 105.19 99.20 1g11 n GLY 68 Ca 0.32 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 3.54 0.60 -3.48 1.61 3.08 0.22 -3.00 114.38 116.95 1g11 h ARG 69 Ca -0.09 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.39 1g11 h ARG 69 Cb 1.04 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.97 1g11 h ARG 69 CO 0.28 0.39 3.03 -0.35 -1.07 0.00 0.00 179.97 182.25 1g11 n PRO 70 N -4.86 2.61 0.00 0.04 -0.04 -1.26 -4.71 135.00 126.77 1g11 n PRO 70 Ca 0.13 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1g11 n PRO 70 Cb 0.33 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1g11 n PRO 70 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1g11 n PHE 71 N 4.58 0.00 -2.95 0.54 -1.74 -1.13 -5.19 117.46 111.57 1g11 n PHE 71 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.46 1g11 n PHE 71 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 0.00 0.02 5.98 3.02 -1.26 -5.02 115.26 118.00 1g11 n ASN 72 Ca 0.00 -0.51 0.14 0.00 -0.03 0.00 0.00 54.58 54.17 1g11 n ASN 72 Cb 0.00 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 39.73 1g11 n ASN 72 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1g11 n MET 73 N 0.00 0.05 -0.09 3.52 0.00 -1.26 -3.40 117.12 115.93 1g11 n MET 73 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 57.70 57.71 1g11 n MET 73 Cb 0.00 -1.55 0.20 0.00 0.00 0.00 0.00 33.22 31.87 1g11 n MET 73 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1g11 h GLN 74 N 0.00 0.75 0.00 3.17 4.15 -2.00 -1.71 115.11 119.47 1g11 h GLN 74 Ca 0.00 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1g11 h GLN 74 Cb 0.54 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1g11 h GLN 74 CO 0.00 0.73 -0.27 0.93 -1.93 0.00 0.00 178.83 178.29 1g11 h GLU 75 N 0.71 0.00 0.32 1.69 5.08 -1.98 -1.00 114.58 119.41 1g11 h GLU 75 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1g11 h GLU 75 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1g11 h GLU 75 CO 0.01 0.27 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.06 1g11 h LEU 76 N 0.00 -0.37 -1.12 1.33 4.07 -1.47 0.71 115.31 118.47 1g11 h LEU 76 Ca -0.00 -0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 1g11 h LEU 76 Cb 0.71 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1g11 h LEU 76 CO 0.03 -0.09 -0.41 1.05 -1.08 0.00 0.00 178.44 177.94 1g11 h GLU 77 N -0.65 0.06 0.51 1.13 -0.00 -1.43 -3.21 114.58 110.99 1g11 h GLU 77 Ca -0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.27 1g11 h GLU 77 Cb 0.46 -0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.21 1g11 h GLU 77 CO 0.07 0.46 -0.25 0.82 -0.00 0.00 0.00 179.01 180.12 1g11 h ILE 78 N 0.05 0.00 -0.55 -1.06 1.08 -0.99 -3.36 117.51 112.68 1g11 h ILE 78 Ca 0.00 -0.46 -0.37 0.00 -0.39 0.00 0.00 64.86 63.64 1g11 h ILE 78 Cb 0.75 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 1g11 h ILE 78 CO 0.06 0.00 1.17 0.20 -0.69 0.00 0.00 178.15 178.89 1g11 s ASN 79 N -4.66 5.27 0.27 1.72 0.01 0.25 -4.78 114.94 113.01 1g11 s ASN 79 Ca -0.10 -1.65 -0.20 0.00 -0.71 0.00 0.00 52.86 50.20 1g11 s ASN 79 Cb 0.01 -2.58 0.05 0.00 0.41 0.00 0.00 41.25 39.13 1g11 s ASN 79 CO 0.30 -2.80 0.84 -1.48 -1.51 0.00 0.00 177.10 172.44 1g11 s LEU 80 N 10.06 -0.13 0.07 0.60 2.34 -1.26 -4.70 118.68 125.66 1g11 s LEU 80 Ca 0.67 -0.73 0.00 0.00 0.06 0.00 0.00 54.13 54.12 1g11 s LEU 80 Cb -0.01 2.55 0.00 0.00 -0.56 0.00 0.00 46.19 48.18 1g11 s LEU 80 CO 0.11 -1.31 0.00 0.00 -1.06 0.00 0.00 176.35 174.09 1g11 n ALA 81 N -0.52 3.00 -3.00 1.48 0.00 -0.99 -4.65 120.51 115.83 1g11 n ALA 81 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1g11 n ALA 81 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.87 0.00 -3.45 0.00 2.88 -1.08 -4.98 113.62 104.12 1g11 n SER 82 Ca 0.00 -0.52 -0.11 0.00 -1.33 0.00 0.00 58.87 56.91 1g11 n SER 82 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1g11 n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1g11 s PHE 83 N -6.02 -0.48 0.00 0.66 0.08 -1.26 -1.83 117.98 109.13 1g11 s PHE 83 Ca 0.00 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1g11 s PHE 83 Cb 0.00 0.55 0.00 0.00 -0.57 0.00 0.00 43.02 43.00 1g11 s PHE 83 CO 0.00 -0.76 0.78 0.00 -0.10 0.00 0.00 175.22 175.14 1g11 n ALA 84 N -0.34 1.92 -3.00 5.36 0.00 -0.90 -4.96 120.51 118.60 1g11 n ALA 84 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1g11 n ALA 84 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.30 4.13 3.79 0.00 0.00 -1.26 -4.52 105.19 107.03 1g11 n GLY 85 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 1.33 2.52 -0.06 1.61 1.11 0.36 -4.97 119.66 121.55 1g11 s GLN 86 Ca 0.00 -1.46 -0.18 0.00 0.01 0.00 0.00 55.36 53.73 1g11 s GLN 86 Cb 0.00 -2.30 0.04 0.00 -1.01 0.00 0.00 33.01 29.73 1g11 s GLN 86 CO 0.00 0.07 0.41 -1.50 0.01 0.00 0.00 175.29 174.28 1g11 s ILE 87 N -2.39 0.03 0.18 1.08 2.07 -1.26 -2.45 121.20 118.46 1g11 s ILE 87 Ca 0.40 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 1g11 s ILE 87 Cb -0.04 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 1g11 s ILE 87 CO 0.25 -0.14 0.13 -1.10 -1.91 0.00 0.00 174.94 172.17 1g11 s GLN 88 N -0.86 1.14 -0.03 3.50 -0.21 0.91 -5.00 119.66 119.11 1g11 s GLN 88 Ca -0.09 -1.55 0.01 0.00 0.02 0.00 0.00 55.36 53.74 1g11 s GLN 88 Cb -0.04 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.27 1g11 s GLN 88 CO 0.04 -0.37 -0.01 0.00 -2.12 0.00 0.00 175.29 172.83 1g11 s ALA 89 N -4.12 0.39 0.55 6.09 0.00 -1.26 -1.15 121.76 122.26 1g11 s ALA 89 Ca 0.34 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1g11 s ALA 89 Cb 0.07 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.94 1g11 s ALA 89 CO 0.09 -0.05 0.63 -3.47 0.00 0.00 0.00 175.76 172.96 1g11 n ASP 90 N 4.06 2.33 -0.25 0.00 2.03 0.67 -4.94 116.55 120.45 1g11 n ASP 90 Ca -0.26 -2.64 0.03 0.00 0.52 0.00 0.00 54.79 52.43 1g11 n ASP 90 Cb 0.51 -0.26 0.08 0.00 -0.72 0.00 0.00 41.12 40.72 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 -2.04 -0.09 -2.94 -0.67 0.28 -1.26 -2.76 120.64 111.17 1g11 n GLU 91 Ca 0.09 1.05 -0.13 0.00 -0.16 0.00 0.00 57.16 58.00 1g11 n GLU 91 Cb 0.60 -1.57 0.03 0.00 1.43 0.00 0.00 31.44 31.93 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1g11 n ASP 92 N -5.07 -1.05 -3.60 -1.84 5.75 -1.26 -5.12 116.55 104.35 1g11 n ASP 92 Ca 0.10 -3.34 -0.01 0.00 -0.01 0.00 0.00 54.79 51.53 1g11 n ASP 92 Cb 0.32 0.80 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g11 s GLN 93 N -0.78 0.94 -0.23 0.11 -2.07 -1.11 -4.62 119.66 111.89 1g11 s GLN 93 Ca 0.31 -0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 53.25 1g11 s GLN 93 Cb 0.30 0.29 0.09 0.00 -1.09 0.00 0.00 33.01 32.59 1g11 s GLN 93 CO -0.09 -0.43 0.15 -1.50 -1.32 0.00 0.00 175.29 172.10 1g11 s ILE 94 N -2.56 -0.16 0.27 3.63 2.07 -0.69 -0.23 121.20 123.52 1g11 s ILE 94 Ca 0.18 -0.37 -0.13 0.00 -1.41 0.00 0.00 60.65 58.92 1g11 s ILE 94 Cb -0.00 -0.76 -0.08 0.00 0.13 0.00 0.00 42.46 41.75 1g11 s ILE 94 CO 0.01 -0.42 0.66 -0.13 -1.91 0.00 0.00 174.94 173.15 1g11 s ARG 95 N 2.19 3.95 0.05 3.50 3.00 -0.30 -1.61 118.95 129.73 1g11 s ARG 95 Ca 0.06 0.54 0.05 0.00 0.00 0.00 0.00 55.73 56.37 1g11 s ARG 95 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 34.95 32.19 1g11 s ARG 95 CO -0.21 0.25 -0.13 -0.06 0.00 0.00 0.00 175.30 175.15 1g11 s PHE 96 N -1.86 1.14 -0.12 -0.53 0.08 -0.58 -0.06 117.98 116.06 1g11 s PHE 96 Ca 0.50 -0.40 -0.33 0.00 0.12 0.00 0.00 56.93 56.81 1g11 s PHE 96 Cb -0.11 -0.66 0.14 0.00 -0.57 0.00 0.00 43.02 41.81 1g11 s PHE 96 CO 0.19 0.03 1.31 1.52 -0.10 0.00 0.00 175.22 178.17 1g11 s TYR 97 N -1.06 -0.05 -0.05 0.36 1.13 -1.02 0.19 117.35 116.85 1g11 s TYR 97 Ca -0.01 -0.00 0.05 0.00 -1.41 0.00 0.00 57.07 55.70 1g11 s TYR 97 Cb -0.09 0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 41.23 1g11 s TYR 97 CO 0.02 -0.17 0.04 0.34 -2.51 0.00 0.00 175.55 173.26 1g11 n PHE 98 N -0.31 0.00 -1.62 -3.49 -0.00 -0.98 0.14 117.46 111.20 1g11 n PHE 98 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.00 1g11 n PHE 98 Cb 0.61 -0.24 0.02 0.00 -0.00 0.00 0.00 39.48 39.86 1g11 n PHE 98 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1g11 n ASP 99 N -2.12 1.26 -0.03 -2.13 -0.08 -1.26 -4.70 116.55 107.49 1g11 n ASP 99 Ca -0.07 1.00 -0.03 0.00 -1.51 0.00 0.00 54.79 54.17 1g11 n ASP 99 Cb 0.59 -1.37 -0.01 0.00 2.34 0.00 0.00 41.12 42.67 1g11 n ASP 99 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1g11 n LYS 100 N -0.07 0.19 -2.83 -0.67 4.01 -1.24 -4.94 118.16 112.61 1g11 n LYS 100 Ca 0.10 0.07 -0.41 0.00 -0.51 0.00 0.00 58.31 57.57 1g11 n LYS 100 Cb 0.41 -0.78 -0.04 0.00 -0.51 0.00 0.00 35.03 34.11 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 -1.77 4.70 -2.00 -0.18 -1.32 -1.26 -5.17 115.64 108.64 1g11 s THR 101 Ca -0.10 1.88 0.20 0.00 -1.21 0.00 0.00 61.69 62.45 1g11 s THR 101 Cb 0.01 -4.23 0.57 0.00 -1.51 0.00 0.00 72.50 67.34 1g11 s THR 101 CO 0.15 0.29 1.58 0.80 -2.21 0.00 0.00 174.62 175.23