#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 0.00 0.73 6.66 -1.32 -1.26 -5.16 115.64 115.29 1g11 s THR 2 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1g11 s THR 2 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1g11 s THR 2 CO 0.00 0.00 1.07 -0.76 -2.21 0.00 0.00 174.62 172.72 1g11 s LEU 3 N 0.47 3.00 0.50 9.08 1.02 -1.26 -4.98 118.68 126.52 1g11 s LEU 3 Ca 0.00 1.61 -0.23 0.00 0.02 0.00 0.00 54.13 55.53 1g11 s LEU 3 Cb -0.05 -4.40 -0.06 0.00 0.02 0.00 0.00 46.19 41.70 1g11 s LEU 3 CO -0.06 -1.69 1.37 0.00 0.02 0.00 0.00 176.35 175.99 1g11 s ALA 4 N -3.03 2.98 -0.39 4.21 0.00 -1.26 -4.97 121.76 119.31 1g11 s ALA 4 Ca 0.59 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.77 1g11 s ALA 4 Cb -0.15 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1g11 s ALA 4 CO 0.55 -1.25 0.25 -0.51 0.00 0.00 0.00 175.76 174.80 1g11 s ASP 5 N -0.83 5.90 0.32 0.00 1.11 -1.26 -5.07 116.67 116.84 1g11 s ASP 5 Ca 0.67 -0.95 -0.00 0.00 0.18 0.00 0.00 52.55 52.45 1g11 s ASP 5 Cb -0.41 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 1g11 s ASP 5 CO 0.50 -0.41 0.53 0.00 1.18 0.00 0.00 175.17 176.97 1g11 s GLN 6 N 1.61 3.51 0.00 8.23 -2.07 -1.26 -5.07 119.66 124.61 1g11 s GLN 6 Ca 0.03 -0.28 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 1g11 s GLN 6 Cb -0.19 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 29.05 1g11 s GLN 6 CO 0.08 0.18 0.00 0.00 -1.32 0.00 0.00 175.29 174.23 1g11 n ALA 7 N -1.55 0.00 -1.75 2.60 0.00 -1.26 -5.15 120.51 113.40 1g11 n ALA 7 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 1g11 n ALA 7 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 3.72 0.00 0.00 2.01 -1.26 -5.00 118.68 118.15 1g11 s LEU 8 Ca 0.00 2.55 0.00 0.00 0.01 0.00 0.00 54.13 56.69 1g11 s LEU 8 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.71 1g11 s LEU 8 CO 0.00 -1.64 0.00 1.57 1.01 0.00 0.00 176.35 177.29 1g11 n HIS 9 N -1.43 0.00 -3.07 0.29 -0.00 -1.26 -4.76 115.22 104.99 1g11 n HIS 9 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.74 1g11 n HIS 9 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.48 1g11 n HIS 9 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1g11 n ASN 10 N 0.00 -7.36 0.00 0.26 4.13 0.06 -4.92 115.26 107.44 1g11 n ASN 10 Ca 0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1g11 n ASN 10 Cb 0.00 -4.60 0.00 0.00 -1.54 0.00 0.00 39.78 33.64 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1g11 n ASN 11 N -0.88 0.00 -3.76 6.41 3.02 -1.24 -5.01 115.26 113.80 1g11 n ASN 11 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1g11 n ASN 11 Cb 0.52 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.24 -0.28 -0.07 6.41 2.20 -1.22 -4.45 114.94 116.29 1g11 s ASN 12 Ca 0.00 0.41 -0.19 0.00 -0.94 0.00 0.00 52.86 52.14 1g11 s ASN 12 Cb 0.00 0.52 -0.05 0.00 -2.00 0.00 0.00 41.25 39.72 1g11 s ASN 12 CO 0.00 -0.27 0.53 0.68 -2.94 0.00 0.00 177.10 175.10 1g11 s VAL 13 N -0.50 5.08 -0.52 3.54 -7.23 -1.02 -4.64 120.40 115.12 1g11 s VAL 13 Ca -0.06 1.08 0.04 0.00 -1.81 0.00 0.00 61.98 61.23 1g11 s VAL 13 Cb -0.04 -3.87 0.17 0.00 0.56 0.00 0.00 36.38 33.21 1g11 s VAL 13 CO 0.02 0.36 0.40 -0.83 -0.31 0.00 0.00 175.10 174.74 1g11 s GLY 14 N 0.29 1.83 0.11 2.32 0.00 -1.26 -1.84 107.32 108.78 1g11 s GLY 14 Ca 0.29 -2.95 -0.30 0.00 0.00 0.00 0.00 44.72 41.75 1g11 s GLY 14 CO 0.13 1.75 1.14 2.56 0.00 0.00 0.00 173.10 178.68 1g11 s PRO 15 N -0.49 4.52 -0.57 2.90 0.04 -1.24 -2.19 135.00 137.96 1g11 s PRO 15 Ca 0.30 1.73 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1g11 s PRO 15 Cb 0.01 -3.32 0.15 0.00 0.04 0.00 0.00 34.50 31.38 1g11 s PRO 15 CO -0.19 -0.09 0.35 0.42 0.04 0.00 0.00 177.00 177.54 1g11 s ILE 16 N 0.42 2.40 0.48 0.56 -1.09 -1.08 -2.47 121.20 120.42 1g11 s ILE 16 Ca 0.54 -3.54 0.08 0.00 -2.23 0.00 0.00 60.65 55.49 1g11 s ILE 16 Cb -0.29 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 1g11 s ILE 16 CO 0.32 -0.92 0.48 0.27 -1.23 0.00 0.00 174.94 173.86 1g11 s ILE 17 N -0.62 2.34 0.98 2.92 -4.36 -0.75 -0.02 121.20 121.68 1g11 s ILE 17 Ca 0.21 -1.28 -0.14 0.00 -0.26 0.00 0.00 60.65 59.18 1g11 s ILE 17 Cb -0.16 -2.63 0.18 0.00 1.25 0.00 0.00 42.46 41.10 1g11 s ILE 17 CO -0.07 0.00 1.15 0.00 0.24 0.00 0.00 174.94 176.25 1g11 s ARG 18 N -4.29 0.60 0.06 0.37 1.70 -1.26 0.29 118.95 116.42 1g11 s ARG 18 Ca 0.48 0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.93 1g11 s ARG 18 Cb -0.04 -1.79 -0.04 0.00 -0.57 0.00 0.00 34.95 32.51 1g11 s ARG 18 CO 0.29 -2.54 0.17 0.00 -1.08 0.00 0.00 175.30 172.14 1g11 s ALA 19 N -3.26 3.87 0.00 7.88 0.00 -0.96 -3.31 121.76 125.99 1g11 s ALA 19 Ca 0.66 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1g11 s ALA 19 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1g11 s ALA 19 CO 0.54 0.80 0.00 0.41 0.00 0.00 0.00 175.76 177.51 1g11 n GLY 20 N 0.38 1.23 3.64 0.00 0.00 -1.26 -4.89 105.19 104.29 1g11 n GLY 20 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1g11 n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g11 s ASP 21 N 1.00 -0.03 -1.15 1.61 1.01 -1.26 -4.95 116.67 112.89 1g11 s ASP 21 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1g11 s ASP 21 Cb 0.00 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.96 1g11 s ASP 21 CO 0.00 -0.03 0.00 0.18 0.21 0.00 0.00 175.17 175.53 1g11 n LEU 22 N 0.56 -0.66 0.09 1.23 4.32 -1.26 -4.83 117.00 116.44 1g11 n LEU 22 Ca -0.00 0.27 0.13 0.00 -0.02 0.00 0.00 56.01 56.38 1g11 n LEU 22 Cb 0.59 -1.99 0.45 0.00 -1.62 0.00 0.00 43.42 40.85 1g11 n LEU 22 CO 0.07 -0.70 0.89 0.52 -1.22 0.00 0.00 177.39 176.95 1g11 n VAL 23 N -2.56 0.54 0.11 4.08 0.31 -1.26 -1.97 118.33 117.58 1g11 n VAL 23 Ca -0.11 -0.14 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1g11 n VAL 23 Cb 0.42 -0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 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 -0.36 0.00 5.55 5.08 -1.98 0.50 114.58 123.37 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 0.62 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1g11 h GLU 24 CO 0.00 -0.15 0.00 -0.35 -1.00 0.00 0.00 179.01 177.51 1g11 n PRO 25 N -5.02 0.04 -0.02 2.33 -0.04 -1.24 -1.97 135.00 129.08 1g11 n PRO 25 Ca -0.06 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1g11 n PRO 25 Cb 0.19 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.79 -0.17 0.52 2.07 -1.45 -2.93 116.25 115.08 1g11 h VAL 26 Ca 0.00 -2.32 -0.08 0.00 0.82 0.00 0.00 66.70 65.12 1g11 h VAL 26 Cb 0.41 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1g11 h VAL 26 CO 0.00 0.71 -0.26 -0.29 0.02 0.00 0.00 177.57 177.75 1g11 h ILE 27 N -0.28 1.25 -0.11 4.57 6.09 -0.80 0.32 117.51 128.55 1g11 h ILE 27 Ca -0.38 -1.19 -0.07 0.00 -1.37 0.00 0.00 64.86 61.86 1g11 h ILE 27 Cb 1.79 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 40.50 1g11 h ILE 27 CO 0.01 0.37 -0.18 -0.08 -3.07 0.00 0.00 178.15 175.19 1g11 h GLU 28 N 0.28 0.33 0.00 2.19 4.22 -1.53 -1.42 114.58 118.65 1g11 h GLU 28 Ca 0.04 -0.20 -0.10 0.00 0.08 0.00 0.00 59.36 59.18 1g11 h GLU 28 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1g11 h GLU 28 CO 0.04 0.78 -0.50 1.15 -2.18 0.00 0.00 179.01 178.31 1g11 h THR 29 N -0.10 1.36 0.00 0.32 2.02 -1.32 -1.78 112.91 113.41 1g11 h THR 29 Ca 0.01 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1g11 h THR 29 Cb 0.75 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1g11 h THR 29 CO 0.04 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.42 1g11 h ALA 30 N 1.50 1.00 0.11 6.16 0.00 -0.29 -2.65 119.26 125.09 1g11 h ALA 30 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1g11 h ALA 30 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1g11 h ALA 30 CO 0.06 0.00 -0.96 0.93 0.00 0.00 0.00 179.25 179.28 1g11 h GLU 31 N 0.00 0.22 0.00 0.00 5.08 -0.56 -3.29 114.58 116.03 1g11 h GLU 31 Ca 0.00 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1g11 h GLU 31 Cb 0.77 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1g11 h GLU 31 CO 0.00 1.18 -0.09 -0.84 -1.00 0.00 0.00 179.01 178.27 1g11 h ILE 32 N -0.46 0.87 -0.91 3.13 3.07 -1.33 -1.29 117.51 120.59 1g11 h ILE 32 Ca -0.20 -0.33 0.13 0.00 1.55 0.00 0.00 64.86 66.01 1g11 h ILE 32 Cb 1.59 1.19 -0.07 0.00 -0.27 0.00 0.00 36.82 39.25 1g11 h ILE 32 CO 0.08 0.09 0.58 -0.78 -1.05 0.00 0.00 178.15 177.07 1g11 h ASP 33 N 0.00 0.74 -2.38 2.16 3.58 -1.54 -3.42 116.42 115.56 1g11 h ASP 33 Ca -0.00 0.04 -0.58 0.00 0.42 0.00 0.00 57.03 56.90 1g11 h ASP 33 Cb 0.18 -0.11 -0.11 0.00 1.72 0.00 0.00 39.33 41.00 1g11 h ASP 33 CO 0.01 0.39 -0.69 0.21 -2.88 0.00 0.00 179.24 176.29 1g11 s ASN 34 N -5.80 4.28 0.00 2.28 3.04 -0.48 -5.00 114.94 113.25 1g11 s ASN 34 Ca -0.10 -0.71 -0.02 0.00 0.04 0.00 0.00 52.86 52.06 1g11 s ASN 34 Cb 0.22 -0.70 -0.09 0.00 -1.54 0.00 0.00 41.25 39.14 1g11 s ASN 34 CO 0.79 0.03 2.08 -0.81 -3.04 0.00 0.00 177.10 176.16 1g11 n PRO 35 N -0.63 1.07 -2.30 0.43 -0.04 -1.26 -4.55 135.00 127.72 1g11 n PRO 35 Ca -0.07 -0.32 -0.40 0.00 -0.04 0.00 0.00 63.50 62.67 1g11 n PRO 35 Cb 0.58 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.04 5.68 2.16 0.55 0.00 -1.26 -4.82 105.19 109.55 1g11 n GLY 36 Ca 0.14 -2.34 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 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 0.65 2.63 0.00 1.61 4.01 -1.26 -3.41 118.16 122.39 1g11 n LYS 37 Ca 0.54 -1.47 0.00 0.00 -0.51 0.00 0.00 58.31 56.87 1g11 n LYS 37 Cb 0.26 -2.32 0.00 0.00 -0.51 0.00 0.00 35.03 32.46 1g11 n LYS 37 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1g11 n GLU 38 N 3.02 0.00 -4.97 1.97 0.28 -1.26 -5.15 120.64 114.53 1g11 n GLU 38 Ca 0.56 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.24 1g11 n GLU 38 Cb 0.59 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.30 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 2.65 -0.21 3.84 1.01 -1.22 -4.72 121.20 122.55 1g11 s ILE 39 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1g11 s ILE 39 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1g11 s ILE 39 CO 0.00 0.54 0.09 -0.89 0.00 0.00 0.00 174.94 174.68 1g11 s THR 40 N 0.25 4.86 0.05 2.92 2.01 -0.83 -4.96 115.64 119.93 1g11 s THR 40 Ca -0.12 -0.00 0.07 0.00 0.31 0.00 0.00 61.69 61.95 1g11 s THR 40 Cb -0.16 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1g11 s THR 40 CO 0.06 0.40 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 1g11 s VAL 41 N 0.81 2.76 -0.34 3.82 1.01 -1.26 0.25 120.40 127.44 1g11 s VAL 41 Ca 0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1g11 s VAL 41 Cb -0.13 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.19 1g11 s VAL 41 CO 0.02 0.31 0.15 -1.61 0.00 0.00 0.00 175.10 173.97 1g11 s GLU 42 N -1.51 0.72 -0.49 2.72 0.41 -0.36 -5.01 118.70 115.17 1g11 s GLU 42 Ca 0.15 -1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 53.27 1g11 s GLU 42 Cb -0.10 -1.82 0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1g11 s GLU 42 CO 0.06 -1.06 0.80 -0.51 -0.49 0.00 0.00 175.26 174.05 1g11 s ASP 43 N 1.35 6.34 0.00 -0.19 1.11 -1.26 -2.87 116.67 121.15 1g11 s ASP 43 Ca 0.13 -0.36 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1g11 s ASP 43 Cb -0.19 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1g11 s ASP 43 CO -0.18 -1.01 0.00 -1.14 1.18 0.00 0.00 175.17 174.02 1g11 n ARG 44 N 6.84 0.00 0.00 8.23 3.00 -1.17 -5.05 116.66 128.51 1g11 n ARG 44 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1g11 n ARG 44 Cb 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 32.46 32.16 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 -1.63 0.00 0.07 -0.14 1.74 -1.26 -4.94 116.66 110.50 1g11 n ARG 45 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1g11 n ARG 45 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 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 0.57 -2.66 7.54 0.00 -1.96 -3.41 119.26 119.34 1g11 h ALA 46 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 54.91 53.98 1g11 h ALA 46 Cb 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.71 1g11 h ALA 46 CO 0.00 1.05 -0.25 0.71 0.00 0.00 0.00 179.25 180.76 1g11 s TYR 47 N -2.81 0.20 -0.13 0.00 2.02 -1.26 -2.26 117.35 113.11 1g11 s TYR 47 Ca 0.00 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 1g11 s TYR 47 Cb 0.09 0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.70 1g11 s TYR 47 CO 0.80 -0.71 -0.19 0.08 -1.57 0.00 0.00 175.55 173.96 1g11 s VAL 48 N -3.91 1.84 0.11 0.71 1.01 0.15 -3.04 120.40 117.26 1g11 s VAL 48 Ca 0.11 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1g11 s VAL 48 Cb 0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1g11 s VAL 48 CO -0.04 0.51 -0.26 0.00 0.00 0.00 0.00 175.10 175.30 1g11 s ARG 49 N 0.89 1.43 0.29 2.72 1.70 -1.14 -1.81 118.95 123.04 1g11 s ARG 49 Ca -0.07 -1.28 0.03 0.00 -0.47 0.00 0.00 55.73 53.94 1g11 s ARG 49 Cb -0.15 -1.85 -0.06 0.00 -0.57 0.00 0.00 34.95 32.32 1g11 s ARG 49 CO -0.02 0.45 0.06 0.42 -1.08 0.00 0.00 175.30 175.13 1g11 s ILE 50 N -1.02 0.99 -0.34 4.99 1.01 -1.03 -1.22 121.20 124.57 1g11 s ILE 50 Ca 0.13 -2.01 0.01 0.00 0.00 0.00 0.00 60.65 58.78 1g11 s ILE 50 Cb -0.10 -2.69 0.14 0.00 0.01 0.00 0.00 42.46 39.82 1g11 s ILE 50 CO 0.05 -0.04 0.29 0.00 0.00 0.00 0.00 174.94 175.24 1g11 s ALA 51 N -3.45 0.06 0.55 9.38 0.00 0.14 -3.70 121.76 124.74 1g11 s ALA 51 Ca 0.36 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 51.30 1g11 s ALA 51 Cb 0.08 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.47 1g11 s ALA 51 CO 0.14 -1.99 0.75 0.00 0.00 0.00 0.00 175.76 174.66 1g11 s ALA 52 N 1.58 4.68 0.17 0.00 0.00 -0.76 -1.97 121.76 125.46 1g11 s ALA 52 Ca 0.15 -2.06 -0.06 0.00 0.00 0.00 0.00 51.96 49.99 1g11 s ALA 52 Cb -0.17 -1.47 0.06 0.00 0.00 0.00 0.00 23.12 21.54 1g11 s ALA 52 CO -0.12 -0.76 1.49 0.93 0.00 0.00 0.00 175.76 177.30 1g11 h GLU 53 N 0.26 0.70 0.00 0.00 5.08 -1.87 -2.70 114.58 116.05 1g11 h GLU 53 Ca -0.31 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1g11 h GLU 53 Cb 1.29 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1g11 h GLU 53 CO 0.42 1.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.87 1g11 n GLY 54 N 0.22 3.34 3.43 -3.84 0.00 -1.26 -3.41 105.19 103.67 1g11 n GLY 54 Ca -0.03 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.23 0.29 1.61 2.12 -1.26 -2.12 118.70 122.57 1g11 s GLU 55 Ca 0.00 -1.27 -0.01 0.00 0.36 0.00 0.00 54.97 54.05 1g11 s GLU 55 Cb 0.00 -4.42 -0.02 0.00 0.26 0.00 0.00 34.13 29.95 1g11 s GLU 55 CO 0.00 -1.71 0.35 -0.51 -0.54 0.00 0.00 175.26 172.85 1g11 s LEU 56 N 3.18 1.10 -0.13 2.70 1.43 -1.04 -5.06 118.68 120.86 1g11 s LEU 56 Ca 0.22 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.70 1g11 s LEU 56 Cb -0.16 1.06 0.04 0.00 0.03 0.00 0.00 46.19 47.16 1g11 s LEU 56 CO 0.03 -1.12 0.45 0.27 0.23 0.00 0.00 176.35 176.22 1g11 s ILE 57 N -3.54 0.01 0.03 -0.59 -5.25 -1.26 -2.42 121.20 108.18 1g11 s ILE 57 Ca 0.34 -0.10 0.06 0.00 -0.99 0.00 0.00 60.65 59.95 1g11 s ILE 57 Cb 0.02 -0.67 -0.02 0.00 2.95 0.00 0.00 42.46 44.73 1g11 s ILE 57 CO 0.18 -0.06 -0.17 -0.76 -1.79 0.00 0.00 174.94 172.35 1g11 s LEU 58 N -0.24 2.15 -0.00 0.37 1.43 0.42 -4.74 118.68 118.08 1g11 s LEU 58 Ca -0.04 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1g11 s LEU 58 Cb -0.03 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1g11 s LEU 58 CO 0.02 0.11 0.64 0.35 0.23 0.00 0.00 176.35 177.70 1g11 n THR 59 N 1.99 0.13 -1.04 5.49 -2.24 -1.26 -0.82 114.28 116.52 1g11 n THR 59 Ca -0.17 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1g11 n THR 59 Cb 0.54 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.07 1.92 0.32 -0.78 3.00 -1.26 -4.43 116.66 115.36 1g11 n ARG 60 Ca 0.00 -1.32 0.21 0.00 -0.00 0.00 0.00 57.85 56.75 1g11 n ARG 60 Cb 0.51 -1.81 1.06 0.00 0.00 0.00 0.00 32.46 32.21 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 2.43 0.00 -0.10 -0.14 5.09 -1.90 -1.60 116.57 120.35 1g11 h LYS 61 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.83 1g11 h LYS 61 Cb 1.10 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.44 1g11 h LYS 61 CO 0.47 0.00 -0.48 1.15 -2.09 0.00 0.00 179.45 178.49 1g11 h THR 62 N 0.00 1.37 -0.52 0.07 2.02 -1.93 0.38 112.91 114.30 1g11 h THR 62 Ca -0.00 -1.82 -0.08 0.00 0.77 0.00 0.00 66.41 65.28 1g11 h THR 62 Cb 0.16 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1g11 h THR 62 CO 0.00 0.54 -0.01 0.25 0.37 0.00 0.00 175.52 176.67 1g11 h LEU 63 N 0.09 0.87 -0.21 2.58 6.46 -1.68 0.30 115.31 123.72 1g11 h LEU 63 Ca -0.03 -0.23 -0.22 0.00 -0.12 0.00 0.00 57.88 57.28 1g11 h LEU 63 Cb 1.13 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1g11 h LEU 63 CO 0.10 0.94 -0.88 -0.33 -0.62 0.00 0.00 178.44 177.64 1g11 h GLU 64 N 0.82 0.48 -0.42 1.25 5.08 -1.37 -2.39 114.58 118.04 1g11 h GLU 64 Ca 0.15 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 1g11 h GLU 64 Cb 0.51 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1g11 h GLU 64 CO 0.03 1.11 -0.31 0.93 -1.00 0.00 0.00 179.01 179.77 1g11 h GLU 65 N 0.29 0.95 0.07 2.33 5.08 0.08 -3.18 114.58 120.19 1g11 h GLU 65 Ca -0.07 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1g11 h GLU 65 Cb 1.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1g11 h GLU 65 CO 0.16 1.12 -0.03 1.96 -1.00 0.00 0.00 179.01 181.21 1g11 h GLN 66 N 0.79 -0.09 -1.05 2.33 1.08 -0.42 1.33 115.11 119.08 1g11 h GLN 66 Ca 0.08 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.59 1g11 h GLN 66 Cb 0.90 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 1g11 h GLN 66 CO 0.08 0.10 1.01 -0.07 -0.95 0.00 0.00 178.83 179.00 1g11 h LEU 67 N -0.28 0.00 -5.21 1.46 3.38 -1.41 -2.60 115.31 110.65 1g11 h LEU 67 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 1g11 h LEU 67 Cb 0.24 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.79 1g11 h LEU 67 CO 0.02 0.00 -0.61 0.61 0.09 0.00 0.00 178.44 178.55 1g11 n GLY 68 N -1.70 0.93 0.29 0.83 0.00 -0.77 -4.99 105.19 99.78 1g11 n GLY 68 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 3.50 0.73 -3.53 1.61 3.08 0.21 -3.07 114.38 116.92 1g11 h ARG 69 Ca -0.08 -0.04 -0.55 0.00 0.07 0.00 0.00 59.98 59.37 1g11 h ARG 69 Cb 1.04 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.94 1g11 h ARG 69 CO 0.28 0.48 3.03 -0.35 -1.07 0.00 0.00 179.97 182.35 1g11 n PRO 70 N -4.76 2.61 0.00 0.04 -0.04 -1.26 -4.71 135.00 126.87 1g11 n PRO 70 Ca 0.12 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1g11 n PRO 70 Cb 0.26 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 4.76 0.00 -3.48 0.54 -1.74 -1.16 -5.19 117.46 111.19 1g11 n PHE 71 Ca 0.57 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 57.35 1g11 n PHE 71 Cb 0.24 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.22 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 2.00 -0.51 0.52 5.98 0.01 -1.26 -5.02 114.94 116.65 1g11 s ASN 72 Ca 0.00 -0.06 0.21 0.00 -0.71 0.00 0.00 52.86 52.30 1g11 s ASN 72 Cb 0.00 0.59 1.39 0.00 0.41 0.00 0.00 41.25 43.64 1g11 s ASN 72 CO 0.00 -0.97 2.13 0.00 -1.51 0.00 0.00 177.10 176.75 1g11 h MET 73 N 2.00 0.00 -0.48 -0.60 -0.00 -2.00 -1.34 114.93 112.51 1g11 h MET 73 Ca -0.31 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.49 1g11 h MET 73 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.87 1g11 h MET 73 CO 0.36 0.06 0.33 0.37 -0.00 0.00 0.00 176.91 178.03 1g11 h GLN 74 N 0.00 0.18 0.00 -0.10 4.15 -2.01 0.52 115.11 117.85 1g11 h GLN 74 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1g11 h GLN 74 Cb 0.12 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1g11 h GLN 74 CO 0.01 0.12 -0.01 1.05 -1.93 0.00 0.00 178.83 178.07 1g11 h GLU 75 N 0.19 0.00 0.14 1.69 -0.00 -1.66 -3.16 114.58 111.79 1g11 h GLU 75 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.58 1g11 h GLU 75 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.39 1g11 h GLU 75 CO -0.04 0.01 -0.07 -0.07 -0.00 0.00 0.00 179.01 178.84 1g11 h LEU 76 N 0.00 -0.16 -1.93 3.06 3.38 -0.04 0.50 115.31 120.12 1g11 h LEU 76 Ca -0.00 -0.37 0.29 0.00 0.09 0.00 0.00 57.88 57.89 1g11 h LEU 76 Cb 0.66 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1g11 h LEU 76 CO 0.00 0.34 0.78 -0.08 0.09 0.00 0.00 178.44 179.57 1g11 h GLU 77 N -0.72 0.00 0.09 1.13 4.81 -1.47 0.51 114.58 118.92 1g11 h GLU 77 Ca -0.02 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.87 1g11 h GLU 77 Cb 0.52 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1g11 h GLU 77 CO 0.03 0.00 -1.92 0.44 -0.73 0.00 0.00 179.01 176.83 1g11 n ILE 78 N -4.05 1.73 -1.38 2.32 -6.64 -1.13 -4.48 119.36 105.73 1g11 n ILE 78 Ca 0.21 -0.70 -0.43 0.00 -1.77 0.00 0.00 62.75 60.07 1g11 n ILE 78 Cb 1.12 -1.53 -0.04 0.00 -1.44 0.00 0.00 39.64 37.75 1g11 n ILE 78 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1g11 n ASN 79 N -3.36 3.02 -3.15 7.28 3.02 0.18 -4.65 115.26 117.60 1g11 n ASN 79 Ca -0.28 -2.74 0.04 0.00 -0.03 0.00 0.00 54.58 51.58 1g11 n ASN 79 Cb 1.05 -1.32 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 1g11 n ASN 79 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1g11 s LEU 80 N 1.73 -1.41 -0.00 3.41 0.05 -1.25 -4.73 118.68 116.49 1g11 s LEU 80 Ca 0.54 0.55 -0.25 0.00 0.05 0.00 0.00 54.13 55.01 1g11 s LEU 80 Cb 0.14 2.05 -0.19 0.00 -2.05 0.00 0.00 46.19 46.14 1g11 s LEU 80 CO 0.05 -0.26 1.32 0.00 -0.55 0.00 0.00 176.35 176.90 1g11 h ALA 81 N 7.97 -0.08 -2.49 1.48 0.00 -1.71 -3.49 119.26 120.95 1g11 h ALA 81 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1g11 h ALA 81 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1g11 h ALA 81 CO 0.19 -0.34 0.00 0.43 0.00 0.00 0.00 179.25 179.52 1g11 n SER 82 N -4.94 0.00 -1.67 0.00 7.64 0.97 -5.02 113.62 110.59 1g11 n SER 82 Ca -0.08 -0.46 -0.01 0.00 1.01 0.00 0.00 58.87 59.33 1g11 n SER 82 Cb 0.22 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 1g11 n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1g11 n PHE 83 N 0.00 -0.94 0.00 1.43 3.72 -1.26 -2.62 117.46 117.79 1g11 n PHE 83 Ca 0.00 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 1g11 n PHE 83 Cb 0.00 0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.30 2.55 -2.74 4.37 0.00 -0.93 -4.83 120.51 116.64 1g11 n ALA 84 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1g11 n ALA 84 Cb 0.18 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 2.37 4.25 3.87 0.00 0.00 -1.26 -4.71 105.19 109.71 1g11 n GLY 85 Ca 0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 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 3.20 2.73 -0.17 1.61 -1.52 0.39 -4.87 119.66 121.04 1g11 s GLN 86 Ca 0.00 -1.31 -0.13 0.00 -1.95 0.00 0.00 55.36 51.97 1g11 s GLN 86 Cb 0.00 -2.50 0.05 0.00 -0.22 0.00 0.00 33.01 30.34 1g11 s GLN 86 CO 0.00 0.03 0.43 -1.50 -0.25 0.00 0.00 175.29 174.00 1g11 s ILE 87 N -2.33 -0.01 0.15 1.08 -1.16 -1.26 -1.63 121.20 116.04 1g11 s ILE 87 Ca 0.43 0.04 0.02 0.00 -0.51 0.00 0.00 60.65 60.63 1g11 s ILE 87 Cb -0.06 -0.62 -0.04 0.00 0.61 0.00 0.00 42.46 42.35 1g11 s ILE 87 CO 0.27 0.01 -0.02 -1.10 -2.81 0.00 0.00 174.94 171.30 1g11 s GLN 88 N 0.72 1.03 0.08 3.50 -1.52 -0.42 -5.02 119.66 118.03 1g11 s GLN 88 Ca -0.04 -1.47 0.03 0.00 -1.95 0.00 0.00 55.36 51.93 1g11 s GLN 88 Cb -0.05 -0.26 -0.03 0.00 -0.22 0.00 0.00 33.01 32.45 1g11 s GLN 88 CO -0.05 -0.09 -0.09 0.00 -0.25 0.00 0.00 175.29 174.81 1g11 s ALA 89 N -3.64 0.91 0.30 6.09 0.00 -1.26 0.24 121.76 124.40 1g11 s ALA 89 Ca 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1g11 s ALA 89 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1g11 s ALA 89 CO 0.01 -0.04 0.04 -3.47 0.00 0.00 0.00 175.76 172.30 1g11 n ASP 90 N 0.85 2.68 -0.24 0.00 -0.08 0.85 -4.94 116.55 115.67 1g11 n ASP 90 Ca -0.18 -2.26 0.07 0.00 -1.51 0.00 0.00 54.79 50.91 1g11 n ASP 90 Cb 0.57 0.17 0.14 0.00 2.34 0.00 0.00 41.12 44.33 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 -0.82 -0.06 -2.85 -0.67 -0.00 -1.26 -2.76 120.64 112.22 1g11 n GLU 91 Ca -0.10 1.05 -0.11 0.00 -0.00 0.00 0.00 57.16 57.99 1g11 n GLU 91 Cb 0.37 -1.60 0.06 0.00 -0.00 0.00 0.00 31.44 30.27 1g11 n GLU 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1g11 n ASP 92 N -5.03 -1.55 -3.66 -1.84 8.00 -1.26 -5.13 116.55 106.08 1g11 n ASP 92 Ca 0.13 -3.51 -0.07 0.00 0.71 0.00 0.00 54.79 52.05 1g11 n ASP 92 Cb 0.42 1.27 -0.02 0.00 -0.02 0.00 0.00 41.12 42.77 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 -0.40 1.25 -0.11 -1.24 -2.07 -1.11 -4.62 119.66 111.35 1g11 s GLN 93 Ca 0.27 -0.61 -0.04 0.00 -1.82 0.00 0.00 55.36 53.16 1g11 s GLN 93 Cb 0.30 0.48 0.05 0.00 -1.09 0.00 0.00 33.01 32.75 1g11 s GLN 93 CO -0.06 -0.56 0.07 -1.50 -1.32 0.00 0.00 175.29 171.92 1g11 s ILE 94 N -3.47 -0.08 0.18 3.63 2.07 -0.00 -0.11 121.20 123.42 1g11 s ILE 94 Ca 0.08 0.10 0.05 0.00 -1.41 0.00 0.00 60.65 59.48 1g11 s ILE 94 Cb -0.02 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 1g11 s ILE 94 CO -0.02 -0.06 0.14 -0.13 -1.91 0.00 0.00 174.94 172.96 1g11 s ARG 95 N 2.15 2.89 0.08 3.50 3.00 0.14 -0.43 118.95 130.27 1g11 s ARG 95 Ca 0.03 -0.90 0.08 0.00 0.00 0.00 0.00 55.73 54.94 1g11 s ARG 95 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 1g11 s ARG 95 CO -0.06 0.47 -0.22 -0.06 0.00 0.00 0.00 175.30 175.43 1g11 s PHE 96 N -1.81 1.89 -0.11 -0.53 0.08 -1.02 -1.30 117.98 115.19 1g11 s PHE 96 Ca 0.31 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1g11 s PHE 96 Cb -0.10 -1.07 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1g11 s PHE 96 CO 0.24 0.18 0.26 0.71 -0.10 0.00 0.00 175.22 176.50 1g11 s TYR 97 N -1.01 -0.34 -1.26 0.36 2.02 -0.65 -2.51 117.35 113.98 1g11 s TYR 97 Ca 0.08 0.80 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1g11 s TYR 97 Cb -0.10 0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.54 1g11 s TYR 97 CO 0.03 -0.22 0.63 1.97 -1.57 0.00 0.00 175.55 176.39 1g11 n PHE 98 N 4.00 0.00 -2.47 2.71 1.16 -0.90 0.15 117.46 122.11 1g11 n PHE 98 Ca -0.23 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 54.96 1g11 n PHE 98 Cb 0.54 -0.07 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 1g11 n PHE 98 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1g11 s ASP 99 N -0.26 6.28 0.00 5.98 2.15 -1.26 -0.76 116.67 128.81 1g11 s ASP 99 Ca 0.00 -1.39 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1g11 s ASP 99 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1g11 s ASP 99 CO 0.00 -1.71 0.00 0.29 -0.17 0.00 0.00 175.17 173.58 1g11 n LYS 100 N 8.84 1.14 -1.20 4.34 5.02 -1.26 -3.78 118.16 131.26 1g11 n LYS 100 Ca 0.35 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 1g11 n LYS 100 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.53 1g11 n LYS 100 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1g11 n THR 101 N -0.90 0.02 1.73 -0.18 5.66 -1.26 -4.88 114.28 114.47 1g11 n THR 101 Ca 0.00 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.64 1g11 n THR 101 Cb 0.00 -0.01 0.82 0.00 -1.55 0.00 0.00 70.33 69.59 1g11 n THR 101 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82