#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 -0.17 -3.58 2.46 5.66 -1.26 -5.10 114.28 112.30 1g11 n THR 2 Ca 0.00 -3.45 -0.09 0.00 -3.05 0.00 0.00 64.05 57.46 1g11 n THR 2 Cb 0.00 0.17 -0.04 0.00 -1.55 0.00 0.00 70.33 68.91 1g11 n THR 2 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1g11 s LEU 3 N -2.15 -0.32 -0.40 1.09 2.34 -1.26 -5.12 118.68 112.87 1g11 s LEU 3 Ca 0.34 0.29 0.04 0.00 0.06 0.00 0.00 54.13 54.85 1g11 s LEU 3 Cb 0.31 1.76 0.16 0.00 -0.56 0.00 0.00 46.19 47.86 1g11 s LEU 3 CO -0.08 -0.33 0.40 0.00 -1.06 0.00 0.00 176.35 175.27 1g11 s ALA 4 N -1.43 -0.13 -0.15 1.48 0.00 -1.26 -5.11 121.76 115.17 1g11 s ALA 4 Ca 0.01 -1.32 -0.37 0.00 0.00 0.00 0.00 51.96 50.28 1g11 s ALA 4 Cb -0.01 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 20.97 1g11 s ALA 4 CO -0.01 -2.12 1.77 -3.47 0.00 0.00 0.00 175.76 171.93 1g11 n ASP 5 N 3.75 2.85 -1.56 0.00 2.03 -1.26 -4.93 116.55 117.43 1g11 n ASP 5 Ca 0.16 1.03 -0.01 0.00 0.52 0.00 0.00 54.79 56.49 1g11 n ASP 5 Cb 0.46 -1.26 -0.00 0.00 -0.72 0.00 0.00 41.12 39.60 1g11 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g11 n GLN 6 N 5.64 0.88 -3.48 -0.67 10.64 -1.26 -4.91 117.38 124.22 1g11 n GLN 6 Ca 0.24 -0.16 -0.21 0.00 -1.83 0.00 0.00 57.00 55.04 1g11 n GLN 6 Cb 0.21 0.09 0.06 0.00 -0.86 0.00 0.00 30.24 29.74 1g11 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1g11 n ALA 7 N -2.91 -2.35 -2.54 2.61 0.00 -1.26 -5.00 120.51 109.05 1g11 n ALA 7 Ca -0.01 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1g11 n ALA 7 Cb 0.03 -4.14 -0.14 0.00 0.00 0.00 0.00 19.45 15.21 1g11 n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g11 s LEU 8 N -6.07 2.18 0.00 0.00 1.43 -1.26 -4.97 118.68 109.99 1g11 s LEU 8 Ca 0.31 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1g11 s LEU 8 Cb -0.07 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1g11 s LEU 8 CO 0.79 0.11 0.00 1.57 0.23 0.00 0.00 176.35 179.04 1g11 n HIS 9 N 1.81 0.00 -3.61 0.29 -0.00 -1.26 -4.85 115.22 107.61 1g11 n HIS 9 Ca -0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.35 1g11 n HIS 9 Cb 0.54 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.37 1g11 n HIS 9 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1g11 s ASN 10 N -3.49 1.36 0.00 0.26 3.84 -1.25 -3.50 114.94 112.15 1g11 s ASN 10 Ca 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 52.86 52.99 1g11 s ASN 10 Cb 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.82 1g11 s ASN 10 CO 0.00 -0.29 0.00 0.59 -2.79 0.00 0.00 177.10 174.61 1g11 n ASN 11 N 5.31 0.00 -3.51 -4.21 3.02 -1.26 -4.98 115.26 109.63 1g11 n ASN 11 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 1g11 n ASN 11 Cb 0.50 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.06 -0.59 0.27 6.41 4.22 -1.26 -2.54 114.94 122.51 1g11 s ASN 12 Ca 0.00 0.51 0.06 0.00 -2.14 0.00 0.00 52.86 51.30 1g11 s ASN 12 Cb 0.00 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 43.02 1g11 s ASN 12 CO 0.00 -0.65 0.31 0.68 -2.04 0.00 0.00 177.10 175.40 1g11 s VAL 13 N -1.75 4.52 -0.41 3.54 -7.23 0.16 -4.65 120.40 114.58 1g11 s VAL 13 Ca -0.07 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1g11 s VAL 13 Cb -0.00 -3.53 0.17 0.00 0.56 0.00 0.00 36.38 33.58 1g11 s VAL 13 CO 0.04 -0.29 0.43 -0.83 -0.31 0.00 0.00 175.10 174.15 1g11 s GLY 14 N -3.96 0.12 -0.15 2.32 0.00 -1.26 -2.66 107.32 101.72 1g11 s GLY 14 Ca 0.36 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.44 1g11 s GLY 14 CO 0.28 2.72 1.27 2.56 0.00 0.00 0.00 173.10 179.93 1g11 s PRO 15 N 0.88 4.24 -0.24 2.90 0.04 -1.22 -2.61 135.00 138.99 1g11 s PRO 15 Ca 0.25 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1g11 s PRO 15 Cb -0.06 -3.75 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1g11 s PRO 15 CO -0.08 -0.69 -0.06 0.42 0.04 0.00 0.00 177.00 176.63 1g11 s ILE 16 N 3.38 2.98 0.31 0.56 1.09 -0.63 -2.54 121.20 126.36 1g11 s ILE 16 Ca 0.55 -0.86 0.06 0.00 -1.10 0.00 0.00 60.65 59.30 1g11 s ILE 16 Cb -0.22 -2.45 -0.03 0.00 -1.06 0.00 0.00 42.46 38.69 1g11 s ILE 16 CO 0.16 0.28 0.25 0.27 -0.10 0.00 0.00 174.94 175.80 1g11 s ILE 17 N 1.37 0.01 0.48 2.92 -4.36 0.02 -0.05 121.20 121.58 1g11 s ILE 17 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1g11 s ILE 17 Cb -0.16 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1g11 s ILE 17 CO -0.05 0.00 0.70 0.00 0.24 0.00 0.00 174.94 175.84 1g11 s ARG 18 N -3.56 2.96 -0.12 0.37 1.70 -1.26 0.26 118.95 119.30 1g11 s ARG 18 Ca 0.40 -0.52 -0.20 0.00 -0.47 0.00 0.00 55.73 54.94 1g11 s ARG 18 Cb 0.03 -2.53 -0.04 0.00 -0.57 0.00 0.00 34.95 31.84 1g11 s ARG 18 CO 0.25 -0.38 0.56 0.00 -1.08 0.00 0.00 175.30 174.65 1g11 s ALA 19 N -2.62 3.45 0.00 7.88 0.00 -1.11 -4.32 121.76 125.05 1g11 s ALA 19 Ca 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1g11 s ALA 19 Cb -0.10 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1g11 s ALA 19 CO 0.38 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1g11 n GLY 20 N 3.34 -0.39 3.42 0.00 0.00 -1.26 -4.97 105.19 105.33 1g11 n GLY 20 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1g11 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g11 s ASP 21 N -1.39 -0.14 -1.04 1.61 2.15 -1.26 -4.93 116.67 111.68 1g11 s ASP 21 Ca 0.00 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1g11 s ASP 21 Cb 0.00 1.12 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 1g11 s ASP 21 CO 0.00 -0.03 0.00 0.18 -0.17 0.00 0.00 175.17 175.15 1g11 n LEU 22 N 3.94 -0.51 0.09 -1.34 4.32 -1.26 -4.82 117.00 117.42 1g11 n LEU 22 Ca -0.12 0.24 0.13 0.00 -0.02 0.00 0.00 56.01 56.25 1g11 n LEU 22 Cb 0.56 -2.02 0.45 0.00 -1.62 0.00 0.00 43.42 40.78 1g11 n LEU 22 CO 0.00 -0.72 0.90 0.52 -1.22 0.00 0.00 177.39 176.87 1g11 n VAL 23 N -2.51 0.50 0.13 4.08 0.31 -1.26 -2.07 118.33 117.51 1g11 n VAL 23 Ca -0.10 -0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 63.94 1g11 n VAL 23 Cb 0.42 -0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.40 0.00 5.55 5.08 -1.98 0.65 114.58 123.47 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 0.67 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1g11 h GLU 24 CO 0.00 -0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.49 1g11 n PRO 25 N -5.05 0.11 0.01 2.33 -0.04 -1.24 -1.74 135.00 129.38 1g11 n PRO 25 Ca -0.06 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 1g11 n PRO 25 Cb 0.21 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.92 -0.50 0.52 2.07 -1.46 -2.87 116.25 114.94 1g11 h VAL 26 Ca 0.00 -2.39 -0.13 0.00 0.82 0.00 0.00 66.70 65.00 1g11 h VAL 26 Cb 0.46 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1g11 h VAL 26 CO 0.00 0.75 -0.19 -0.29 0.02 0.00 0.00 177.57 177.85 1g11 h ILE 27 N -0.20 1.27 -0.53 4.57 6.09 -0.77 0.46 117.51 128.40 1g11 h ILE 27 Ca -0.34 -1.36 -0.06 0.00 -1.37 0.00 0.00 64.86 61.73 1g11 h ILE 27 Cb 1.85 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 40.20 1g11 h ILE 27 CO 0.07 0.47 0.08 -0.08 -3.07 0.00 0.00 178.15 175.62 1g11 h GLU 28 N 0.87 0.88 0.00 2.19 4.81 -1.48 0.13 114.58 121.98 1g11 h GLU 28 Ca 0.12 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 58.96 1g11 h GLU 28 Cb 0.77 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1g11 h GLU 28 CO 0.06 0.86 -0.72 1.15 -0.73 0.00 0.00 179.01 179.64 1g11 h THR 29 N 0.77 1.49 0.00 0.32 2.02 -1.34 -1.25 112.91 114.92 1g11 h THR 29 Ca 0.16 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1g11 h THR 29 Cb 0.41 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1g11 h THR 29 CO 0.01 0.70 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1g11 h ALA 30 N 1.28 1.00 0.11 6.16 0.00 0.27 -2.52 119.26 125.57 1g11 h ALA 30 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 1g11 h ALA 30 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1g11 h ALA 30 CO 0.09 0.00 -1.99 0.39 0.00 0.00 0.00 179.25 177.74 1g11 n GLU 31 N -2.48 0.75 0.23 0.00 -0.58 0.41 -3.36 120.64 115.60 1g11 n GLU 31 Ca 0.04 0.26 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 1g11 n GLU 31 Cb 0.42 -1.71 0.51 0.00 -0.57 0.00 0.00 31.44 30.09 1g11 n GLU 31 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1g11 h ILE 32 N 0.07 0.70 0.00 -3.67 -0.00 -1.23 -2.14 117.51 111.23 1g11 h ILE 32 Ca -0.42 -1.02 -0.18 0.00 -0.00 0.00 0.00 64.86 63.24 1g11 h ILE 32 Cb 2.03 1.65 -0.02 0.00 -0.00 0.00 0.00 36.82 40.48 1g11 h ILE 32 CO 0.09 0.23 -0.83 -0.78 -0.00 0.00 0.00 178.15 176.85 1g11 h ASP 33 N 0.00 0.14 -3.62 2.16 3.58 -1.57 -3.40 116.42 113.70 1g11 h ASP 33 Ca -0.00 -0.11 -0.70 0.00 0.42 0.00 0.00 57.03 56.64 1g11 h ASP 33 Cb 0.63 -0.04 -0.26 0.00 1.72 0.00 0.00 39.33 41.37 1g11 h ASP 33 CO 0.03 0.91 -0.55 0.21 -2.88 0.00 0.00 179.24 176.96 1g11 s ASN 34 N -6.86 5.56 0.15 2.28 2.47 -0.80 -5.08 114.94 112.65 1g11 s ASN 34 Ca -0.02 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.17 1g11 s ASN 34 Cb 0.11 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1g11 s ASN 34 CO 0.81 -0.37 0.00 -0.81 -3.72 0.00 0.00 177.10 173.01 1g11 n PRO 35 N 4.91 0.77 -0.73 0.43 -0.04 -1.26 -4.35 135.00 134.74 1g11 n PRO 35 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1g11 n PRO 35 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 3.75 0.77 3.65 0.55 0.00 -1.26 -4.83 105.19 107.83 1g11 n GLY 36 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1g11 n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g11 s LYS 37 N -0.33 3.77 -0.39 1.61 0.00 -1.26 -4.43 119.74 118.71 1g11 s LYS 37 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 55.97 55.67 1g11 s LYS 37 Cb 0.00 -3.13 0.31 0.00 0.00 0.00 0.00 37.83 35.02 1g11 s LYS 37 CO 0.00 0.38 1.26 -0.85 0.00 0.00 0.00 175.35 176.14 1g11 n GLU 38 N 3.19 0.59 0.00 1.78 0.28 -1.26 -5.07 120.64 120.16 1g11 n GLU 38 Ca -0.17 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.52 1g11 n GLU 38 Cb 0.53 -0.52 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1g11 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1g11 n ILE 39 N 0.31 0.00 -3.67 3.84 -0.00 -1.26 -4.99 119.36 113.59 1g11 n ILE 39 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.70 1g11 n ILE 39 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.36 1g11 n ILE 39 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 1g11 s THR 40 N 0.08 0.00 0.02 1.39 -1.32 -1.06 -5.05 115.64 109.70 1g11 s THR 40 Ca 0.00 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1g11 s THR 40 Cb 0.00 -1.76 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 1g11 s THR 40 CO 0.00 0.00 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.69 1g11 s VAL 41 N -3.01 0.17 -0.74 5.08 1.01 -1.26 -1.10 120.40 120.56 1g11 s VAL 41 Ca 0.11 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1g11 s VAL 41 Cb 0.00 -0.29 0.26 0.00 0.00 0.00 0.00 36.38 36.36 1g11 s VAL 41 CO -0.02 -0.40 0.91 -0.62 0.00 0.00 0.00 175.10 174.97 1g11 n GLU 42 N 1.80 2.96 -3.17 2.72 -0.58 0.16 -4.97 120.64 119.57 1g11 n GLU 42 Ca -0.22 -4.65 -0.45 0.00 -0.42 0.00 0.00 57.16 51.42 1g11 n GLU 42 Cb 0.56 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 29.11 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 -2.32 7.21 -0.03 1.62 1.11 -1.26 -2.24 116.67 120.75 1g11 s ASP 43 Ca 0.38 -3.32 -0.00 0.00 0.18 0.00 0.00 52.55 49.79 1g11 s ASP 43 Cb 0.13 -2.29 -0.00 0.00 1.07 0.00 0.00 42.92 41.82 1g11 s ASP 43 CO 0.01 -0.49 -0.00 -0.09 1.18 0.00 0.00 175.17 175.78 1g11 h ARG 44 N 6.90 0.00 0.00 8.23 9.65 -1.94 -3.50 114.38 133.72 1g11 h ARG 44 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1g11 h ARG 44 Cb 0.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 1g11 h ARG 44 CO 1.11 0.00 0.00 0.54 2.80 0.00 0.00 179.97 184.42 1g11 n ARG 45 N -2.93 0.00 -0.18 0.20 1.74 -1.26 -4.96 116.66 109.26 1g11 n ARG 45 Ca -0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1g11 n ARG 45 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.68 -2.24 7.54 0.00 -1.96 -3.40 119.26 119.88 1g11 h ALA 46 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 54.91 54.31 1g11 h ALA 46 Cb 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.45 1g11 h ALA 46 CO 0.00 0.37 -0.60 0.71 0.00 0.00 0.00 179.25 179.73 1g11 s TYR 47 N -5.33 1.64 -0.18 0.00 2.02 -1.26 -2.73 117.35 111.50 1g11 s TYR 47 Ca -0.13 -1.18 0.01 0.00 -0.37 0.00 0.00 57.07 55.40 1g11 s TYR 47 Cb 0.12 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1g11 s TYR 47 CO 0.80 -0.30 -0.11 0.08 -1.57 0.00 0.00 175.55 174.45 1g11 s VAL 48 N -3.62 1.58 0.04 0.71 1.01 0.14 -3.84 120.40 116.42 1g11 s VAL 48 Ca 0.36 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1g11 s VAL 48 Cb 0.07 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1g11 s VAL 48 CO 0.15 0.25 -0.15 -0.60 0.00 0.00 0.00 175.10 174.74 1g11 s ARG 49 N 1.44 1.00 0.08 2.72 3.52 -0.95 -0.80 118.95 125.95 1g11 s ARG 49 Ca 0.01 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1g11 s ARG 49 Cb -0.15 -1.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.18 1g11 s ARG 49 CO -0.09 0.25 -0.04 0.42 -0.81 0.00 0.00 175.30 175.04 1g11 s ILE 50 N -0.86 0.40 -0.13 4.11 1.01 -1.05 0.40 121.20 125.08 1g11 s ILE 50 Ca 0.02 -1.87 -0.08 0.00 0.00 0.00 0.00 60.65 58.72 1g11 s ILE 50 Cb -0.08 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.81 1g11 s ILE 50 CO 0.01 -0.91 0.32 0.00 0.00 0.00 0.00 174.94 174.36 1g11 s ALA 51 N -3.81 -0.78 -0.03 9.38 0.00 -0.26 -3.39 121.76 122.88 1g11 s ALA 51 Ca 0.10 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 1g11 s ALA 51 Cb 0.07 -0.70 0.11 0.00 0.00 0.00 0.00 23.12 22.60 1g11 s ALA 51 CO -0.07 -0.21 1.31 0.00 0.00 0.00 0.00 175.76 176.79 1g11 s ALA 52 N 1.00 -2.38 1.00 0.00 0.00 -1.09 -2.55 121.76 117.75 1g11 s ALA 52 Ca -0.07 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1g11 s ALA 52 Cb -0.07 0.57 -0.13 0.00 0.00 0.00 0.00 23.12 23.49 1g11 s ALA 52 CO -0.07 -1.10 -0.88 -1.91 0.00 0.00 0.00 175.76 171.80 1g11 n GLU 53 N -0.67 -0.13 -1.67 0.00 0.00 -1.26 0.36 120.64 117.27 1g11 n GLU 53 Ca -0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 57.16 56.76 1g11 n GLU 53 Cb 0.61 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.93 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 3.22 5.00 2.73 8.31 0.00 -1.05 -3.08 105.19 120.30 1g11 n GLY 54 Ca -0.01 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 1g11 n GLY 54 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g11 n GLU 55 N 0.06 0.83 -3.37 1.61 2.13 -1.24 -2.61 120.64 118.04 1g11 n GLU 55 Ca 0.51 -1.70 -0.19 0.00 0.66 0.00 0.00 57.16 56.44 1g11 n GLU 55 Cb 0.40 -1.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.08 1g11 n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1g11 s LEU 56 N -1.66 3.60 -0.16 4.31 2.01 0.40 -4.97 118.68 122.21 1g11 s LEU 56 Ca 0.25 -0.52 -0.12 0.00 0.01 0.00 0.00 54.13 53.75 1g11 s LEU 56 Cb 0.27 -2.39 0.05 0.00 0.01 0.00 0.00 46.19 44.12 1g11 s LEU 56 CO -0.12 -0.63 0.40 0.27 1.01 0.00 0.00 176.35 177.28 1g11 s ILE 57 N -2.37 -0.01 -0.06 -0.59 -5.25 -1.26 -1.82 121.20 109.84 1g11 s ILE 57 Ca 0.49 0.05 0.02 0.00 -0.99 0.00 0.00 60.65 60.22 1g11 s ILE 57 Cb -0.07 -0.58 0.01 0.00 2.95 0.00 0.00 42.46 44.78 1g11 s ILE 57 CO 0.30 0.02 -0.12 -0.76 -1.79 0.00 0.00 174.94 172.59 1g11 s LEU 58 N 0.77 1.62 -0.00 0.37 1.43 0.41 -4.67 118.68 118.60 1g11 s LEU 58 Ca -0.05 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1g11 s LEU 58 Cb -0.06 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.37 1g11 s LEU 58 CO -0.06 0.03 0.94 0.35 0.23 0.00 0.00 176.35 177.84 1g11 n THR 59 N 3.83 0.89 -0.24 5.49 -2.24 -1.26 0.06 114.28 120.81 1g11 n THR 59 Ca -0.23 -0.90 -0.11 0.00 -2.27 0.00 0.00 64.05 60.53 1g11 n THR 59 Cb 0.52 0.54 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 0.54 -0.57 0.00 0.00 175.07 175.04 1g11 n ARG 60 N -0.46 1.56 0.31 -0.78 1.74 -1.26 -4.37 116.66 113.39 1g11 n ARG 60 Ca 0.01 -1.23 0.17 0.00 -0.77 0.00 0.00 57.85 56.03 1g11 n ARG 60 Cb 0.30 -1.48 0.93 0.00 -1.02 0.00 0.00 32.46 31.18 1g11 n ARG 60 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1g11 h LYS 61 N 0.78 0.00 -0.04 5.56 5.09 -1.84 -0.03 116.57 126.09 1g11 h LYS 61 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.97 1g11 h LYS 61 Cb 1.43 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.75 1g11 h LYS 61 CO 0.51 0.00 -0.04 0.00 -2.09 0.00 0.00 179.45 177.83 1g11 h THR 62 N 0.00 1.38 -0.56 0.07 1.03 -1.92 0.42 112.91 113.33 1g11 h THR 62 Ca 0.00 -1.20 -0.08 0.00 -0.01 0.00 0.00 66.41 65.12 1g11 h THR 62 Cb 0.34 2.10 -0.02 0.00 -1.07 0.00 0.00 68.15 69.50 1g11 h THR 62 CO 0.00 0.32 0.03 0.25 -0.01 0.00 0.00 175.52 176.12 1g11 h LEU 63 N -0.37 0.91 -0.78 0.00 6.46 -1.40 0.12 115.31 120.24 1g11 h LEU 63 Ca 0.01 -0.23 -0.09 0.00 -0.12 0.00 0.00 57.88 57.46 1g11 h LEU 63 Cb 0.54 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1g11 h LEU 63 CO 0.01 0.95 -0.41 -0.33 -0.62 0.00 0.00 178.44 178.04 1g11 h GLU 64 N 0.88 0.00 0.11 1.25 5.08 -1.31 -1.82 114.58 118.76 1g11 h GLU 64 Ca 0.17 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1g11 h GLU 64 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1g11 h GLU 64 CO 0.02 0.41 -1.21 0.93 -1.00 0.00 0.00 179.01 178.16 1g11 h GLU 65 N 0.00 0.56 -0.11 2.33 5.08 0.55 -3.32 114.58 119.67 1g11 h GLU 65 Ca -0.00 -0.74 -0.03 0.00 -1.00 0.00 0.00 59.36 57.58 1g11 h GLU 65 Cb 0.99 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1g11 h GLU 65 CO 0.05 1.33 -0.04 1.96 -1.00 0.00 0.00 179.01 181.31 1g11 h GLN 66 N 0.25 0.23 -1.58 2.33 1.08 -0.71 0.52 115.11 117.23 1g11 h GLN 66 Ca -0.17 -0.10 0.46 0.00 -1.45 0.00 0.00 58.65 57.39 1g11 h GLN 66 Cb 1.88 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.24 1g11 h GLN 66 CO 0.23 0.56 1.24 -0.07 -0.95 0.00 0.00 178.83 179.84 1g11 h LEU 67 N -0.12 0.00 -5.19 1.46 3.38 -1.43 -2.54 115.31 110.88 1g11 h LEU 67 Ca 0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.71 1g11 h LEU 67 Cb 0.49 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.05 1g11 h LEU 67 CO 0.01 0.00 -0.60 0.61 0.09 0.00 0.00 178.44 178.56 1g11 n GLY 68 N -1.84 0.85 0.29 0.83 0.00 -1.02 -4.99 105.19 99.30 1g11 n GLY 68 Ca 0.35 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 0.40 -3.48 1.61 3.08 0.49 -2.78 114.38 117.23 1g11 h ARG 69 Ca -0.09 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.40 1g11 h ARG 69 Cb 1.04 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 31.02 1g11 h ARG 69 CO 0.28 0.26 3.04 -0.35 -1.07 0.00 0.00 179.97 182.13 1g11 n PRO 70 N -5.03 2.62 -3.81 0.04 -0.04 -1.26 -4.76 135.00 122.75 1g11 n PRO 70 Ca 0.16 -1.86 -0.09 0.00 -0.04 0.00 0.00 63.50 61.67 1g11 n PRO 70 Cb 0.47 -2.71 0.02 0.00 -0.04 0.00 0.00 33.50 31.24 1g11 n PRO 70 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1g11 s PHE 71 N 3.18 0.09 0.00 0.54 -0.71 -1.05 -5.08 117.98 114.95 1g11 s PHE 71 Ca 0.52 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1g11 s PHE 71 Cb 0.14 0.83 0.00 0.00 -1.21 0.00 0.00 43.02 42.78 1g11 s PHE 71 CO -0.03 -1.54 0.00 -1.71 -1.34 0.00 0.00 175.22 170.60 1g11 n ASN 72 N -1.33 0.00 -0.32 1.98 4.05 -1.26 -4.98 115.26 113.41 1g11 n ASN 72 Ca -0.08 -0.88 -0.03 0.00 0.45 0.00 0.00 54.58 54.04 1g11 n ASN 72 Cb 0.60 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.61 1g11 n ASN 72 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 177.26 175.36 1g11 n MET 73 N 0.00 -0.24 -0.31 1.20 0.00 -1.26 0.19 117.12 116.71 1g11 n MET 73 Ca 0.00 1.23 0.14 0.00 0.00 0.00 0.00 57.70 59.07 1g11 n MET 73 Cb 0.00 -1.82 0.29 0.00 0.00 0.00 0.00 33.22 31.69 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 0.12 -0.04 3.17 4.15 -1.98 0.81 115.11 121.34 1g11 h GLN 74 Ca 0.23 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.41 1g11 h GLN 74 Cb 0.43 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.10 1g11 h GLN 74 CO -0.79 0.08 -0.91 0.93 -1.93 0.00 0.00 178.83 176.21 1g11 h GLU 75 N 0.13 0.56 -0.75 1.69 4.39 0.18 -2.14 114.58 118.64 1g11 h GLU 75 Ca 0.57 -0.55 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1g11 h GLU 75 Cb 1.17 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 1g11 h GLU 75 CO -0.74 1.18 0.46 -0.07 -1.16 0.00 0.00 179.01 178.68 1g11 h LEU 76 N 0.34 0.74 -0.09 1.33 3.38 0.47 1.66 115.31 123.14 1g11 h LEU 76 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1g11 h LEU 76 Cb 1.54 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1g11 h LEU 76 CO 0.17 0.49 0.00 1.21 0.09 0.00 0.00 178.44 180.40 1g11 n GLU 77 N -4.67 0.17 -0.08 1.13 2.13 0.20 -3.48 120.64 116.04 1g11 n GLU 77 Ca 0.09 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.88 1g11 n GLU 77 Cb 0.13 -1.72 -0.12 0.00 0.27 0.00 0.00 31.44 30.00 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 -2.02 1.60 -0.76 6.31 2.08 0.47 -4.37 119.36 122.65 1g11 n ILE 78 Ca 0.05 -0.18 -0.23 0.00 0.56 0.00 0.00 62.75 62.95 1g11 n ILE 78 Cb 0.37 -1.97 -0.02 0.00 -0.75 0.00 0.00 39.64 37.27 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 -4.20 4.90 -3.77 4.38 4.13 0.54 -4.72 115.26 116.51 1g11 n ASN 79 Ca -0.33 -2.34 -0.10 0.00 1.68 0.00 0.00 54.58 53.50 1g11 n ASN 79 Cb 0.77 -1.10 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1g11 s LEU 80 N 0.14 0.57 0.20 3.41 0.05 -1.26 -4.74 118.68 117.05 1g11 s LEU 80 Ca 0.40 -0.53 0.00 0.00 0.05 0.00 0.00 54.13 54.05 1g11 s LEU 80 Cb 0.10 1.67 0.00 0.00 -2.05 0.00 0.00 46.19 45.91 1g11 s LEU 80 CO -0.03 -0.90 0.00 0.00 -0.55 0.00 0.00 176.35 174.87 1g11 n ALA 81 N -0.23 3.00 -3.60 1.48 0.00 -0.76 -4.75 120.51 115.65 1g11 n ALA 81 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1g11 n ALA 81 Cb 0.63 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.15 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 -3.32 -1.00 -1.91 0.00 2.88 0.92 -5.00 113.62 106.19 1g11 n SER 82 Ca 0.00 -2.12 -0.03 0.00 -1.33 0.00 0.00 58.87 55.39 1g11 n SER 82 Cb 0.03 1.79 0.01 0.00 -0.75 0.00 0.00 64.21 65.29 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 -0.35 -1.41 0.00 0.66 3.72 -1.26 -1.60 117.46 117.23 1g11 n PHE 83 Ca -0.01 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 1g11 n PHE 83 Cb 0.36 0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.90 2.41 -2.96 4.37 0.00 -1.07 -4.89 120.51 116.46 1g11 n ALA 84 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1g11 n ALA 84 Cb 0.27 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 2.70 4.91 3.73 0.00 0.00 -1.26 -4.91 105.19 110.36 1g11 n GLY 85 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 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 4.94 2.15 0.02 1.61 2.00 0.02 -5.00 119.66 125.40 1g11 s GLN 86 Ca 0.00 -2.04 -0.05 0.00 -2.00 0.00 0.00 55.36 51.27 1g11 s GLN 86 Cb 0.00 -1.82 -0.01 0.00 0.80 0.00 0.00 33.01 31.99 1g11 s GLN 86 CO 0.00 -0.19 0.09 -1.50 -0.50 0.00 0.00 175.29 173.19 1g11 s ILE 87 N -2.70 0.10 0.05 -2.34 2.07 -1.26 -2.58 121.20 114.54 1g11 s ILE 87 Ca 0.32 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 58.69 1g11 s ILE 87 Cb 0.05 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1g11 s ILE 87 CO 0.18 -0.47 0.01 -1.10 -1.91 0.00 0.00 174.94 171.65 1g11 s GLN 88 N -1.75 0.60 -0.01 3.50 -1.52 -0.64 -5.02 119.66 114.82 1g11 s GLN 88 Ca -0.12 -1.06 0.02 0.00 -1.95 0.00 0.00 55.36 52.25 1g11 s GLN 88 Cb -0.06 0.22 -0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1g11 s GLN 88 CO -0.01 -0.13 -0.06 0.00 -0.25 0.00 0.00 175.29 174.85 1g11 s ALA 89 N -3.45 0.53 0.25 6.09 0.00 -1.26 -0.64 121.76 123.27 1g11 s ALA 89 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1g11 s ALA 89 Cb 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1g11 s ALA 89 CO -0.08 0.10 0.21 -3.47 0.00 0.00 0.00 175.76 172.52 1g11 n ASP 90 N 3.11 1.68 -0.22 0.00 -0.08 0.15 -4.94 116.55 116.25 1g11 n ASP 90 Ca -0.15 -1.84 -0.02 0.00 -1.51 0.00 0.00 54.79 51.27 1g11 n ASP 90 Cb 0.57 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1g11 n ASP 90 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1g11 n GLU 91 N -1.15 -0.16 -2.97 -0.67 0.28 -1.26 -2.83 120.64 111.87 1g11 n GLU 91 Ca 0.00 0.87 -0.14 0.00 -0.16 0.00 0.00 57.16 57.73 1g11 n GLU 91 Cb 0.28 -1.29 0.02 0.00 1.43 0.00 0.00 31.44 31.88 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 -4.80 -0.86 -3.60 -1.84 8.00 -1.26 -5.12 116.55 107.07 1g11 n ASP 92 Ca 0.05 -3.27 -0.06 0.00 0.71 0.00 0.00 54.79 52.22 1g11 n ASP 92 Cb 0.21 0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.92 0.89 -0.10 -1.24 1.03 -1.13 -4.65 119.66 113.53 1g11 s GLN 93 Ca 0.32 -0.41 -0.04 0.00 0.04 0.00 0.00 55.36 55.28 1g11 s GLN 93 Cb 0.29 0.36 0.05 0.00 0.03 0.00 0.00 33.01 33.74 1g11 s GLN 93 CO -0.09 -0.40 0.17 -1.50 -2.54 0.00 0.00 175.29 170.93 1g11 s ILE 94 N -3.09 -0.27 0.32 3.63 2.07 0.11 0.31 121.20 124.28 1g11 s ILE 94 Ca 0.08 0.28 0.08 0.00 -1.41 0.00 0.00 60.65 59.69 1g11 s ILE 94 Cb -0.01 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 1g11 s ILE 94 CO -0.05 0.09 0.13 0.00 -1.91 0.00 0.00 174.94 173.20 1g11 s ARG 95 N 2.30 2.41 0.03 3.50 3.03 0.18 -0.45 118.95 129.96 1g11 s ARG 95 Ca 0.03 -1.48 0.03 0.00 2.03 0.00 0.00 55.73 56.35 1g11 s ARG 95 Cb -0.13 -2.21 -0.02 0.00 -1.03 0.00 0.00 34.95 31.56 1g11 s ARG 95 CO -0.07 0.17 -0.10 -0.06 -1.13 0.00 0.00 175.30 174.12 1g11 s PHE 96 N -2.38 0.85 0.01 5.89 0.08 -0.76 -1.61 117.98 120.06 1g11 s PHE 96 Ca 0.36 -0.35 -0.28 0.00 0.12 0.00 0.00 56.93 56.78 1g11 s PHE 96 Cb -0.04 -0.51 0.07 0.00 -0.57 0.00 0.00 43.02 41.97 1g11 s PHE 96 CO 0.22 -0.02 0.65 1.52 -0.10 0.00 0.00 175.22 177.50 1g11 s TYR 97 N -0.89 -0.61 -0.74 0.36 -0.85 -1.07 -0.45 117.35 113.10 1g11 s TYR 97 Ca -0.03 0.88 0.04 0.00 -0.52 0.00 0.00 57.07 57.44 1g11 s TYR 97 Cb -0.07 0.45 0.25 0.00 0.38 0.00 0.00 41.96 42.96 1g11 s TYR 97 CO 0.01 -0.67 0.85 0.34 -1.52 0.00 0.00 175.55 174.55 1g11 n PHE 98 N 0.54 3.43 -3.83 -3.49 7.35 -1.08 -0.80 117.46 119.59 1g11 n PHE 98 Ca -0.18 -3.91 -0.28 0.00 -0.76 0.00 0.00 57.45 52.32 1g11 n PHE 98 Cb 0.59 -0.73 -0.16 0.00 0.35 0.00 0.00 39.48 39.53 1g11 n PHE 98 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1g11 s ASP 99 N -2.09 2.92 0.73 -2.13 -1.08 -1.23 -3.84 116.67 109.96 1g11 s ASP 99 Ca 0.36 -0.76 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1g11 s ASP 99 Cb 0.10 -0.79 0.00 0.00 -1.46 0.00 0.00 42.92 40.76 1g11 s ASP 99 CO -0.02 -0.24 0.00 2.29 0.52 0.00 0.00 175.17 177.72 1g11 n LYS 100 N 4.93 -0.94 -1.17 4.34 2.85 -1.26 -4.72 118.16 122.19 1g11 n LYS 100 Ca -0.10 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.73 1g11 n LYS 100 Cb 0.47 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.81 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1g11 n THR 101 N -2.70 0.85 1.80 0.58 5.66 -1.26 -5.01 114.28 114.20 1g11 n THR 101 Ca 0.00 -0.21 0.15 0.00 -3.05 0.00 0.00 64.05 60.94 1g11 n THR 101 Cb 0.00 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.56 1g11 n THR 101 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82