#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 0.24 -3.45 6.66 5.66 -1.26 -5.08 114.28 117.05 1g11 n THR 2 Ca 0.00 -0.12 -0.13 0.00 -3.05 0.00 0.00 64.05 60.75 1g11 n THR 2 Cb 0.00 -0.80 -0.03 0.00 -1.55 0.00 0.00 70.33 67.95 1g11 n THR 2 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1g11 s LEU 3 N -4.69 -0.58 -0.40 1.09 0.20 -1.26 -5.12 118.68 107.93 1g11 s LEU 3 Ca -0.03 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 54.94 1g11 s LEU 3 Cb 0.01 2.57 0.22 0.00 -0.43 0.00 0.00 46.19 48.56 1g11 s LEU 3 CO 0.12 -0.88 1.00 0.00 -0.29 0.00 0.00 176.35 176.30 1g11 n ALA 4 N -0.06 -3.11 -3.65 5.97 0.00 -1.26 -5.14 120.51 113.26 1g11 n ALA 4 Ca -0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 1g11 n ALA 4 Cb 0.63 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 1g11 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g11 s ASP 5 N 0.66 -0.97 -0.31 0.00 -1.08 -1.26 -5.07 116.67 108.64 1g11 s ASP 5 Ca 0.26 1.49 0.02 0.00 -0.52 0.00 0.00 52.55 53.80 1g11 s ASP 5 Cb 0.11 1.70 0.32 0.00 -1.46 0.00 0.00 42.92 43.58 1g11 s ASP 5 CO -0.10 -0.23 1.40 0.00 0.52 0.00 0.00 175.17 176.76 1g11 n GLN 6 N 4.78 0.05 -3.23 4.34 -0.00 -1.26 -5.09 117.38 116.97 1g11 n GLN 6 Ca -0.17 -0.57 -0.20 0.00 -0.00 0.00 0.00 57.00 56.06 1g11 n GLN 6 Cb 0.55 -0.06 -0.07 0.00 -0.00 0.00 0.00 30.24 30.66 1g11 n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1g11 s ALA 7 N 0.02 0.33 0.00 2.61 0.00 -1.26 -5.06 121.76 118.40 1g11 s ALA 7 Ca 0.21 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1g11 s ALA 7 Cb 0.27 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1g11 s ALA 7 CO -0.18 -2.06 0.02 1.28 0.00 0.00 0.00 175.76 174.82 1g11 n LEU 8 N 3.02 0.00 -4.39 0.00 7.99 -1.26 -4.52 117.00 117.84 1g11 n LEU 8 Ca 0.25 0.02 -0.40 0.00 -0.01 0.00 0.00 56.01 55.87 1g11 n LEU 8 Cb 0.49 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.69 1g11 n LEU 8 CO 0.06 0.00 -0.18 -1.00 -1.51 0.00 0.00 177.39 174.76 1g11 s HIS 9 N -0.04 3.22 -0.01 -1.77 3.76 -1.26 -4.78 115.29 114.41 1g11 s HIS 9 Ca 0.00 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 1g11 s HIS 9 Cb 0.00 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.29 1g11 s HIS 9 CO 0.00 -0.59 0.46 -1.71 -0.85 0.00 0.00 174.74 172.04 1g11 n ASN 10 N 4.99 -0.04 0.00 1.40 5.15 -0.24 0.19 115.26 126.72 1g11 n ASN 10 Ca -0.12 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 1g11 n ASN 10 Cb 0.47 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1g11 n ASN 10 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1g11 n ASN 11 N -0.03 0.47 0.00 1.20 3.02 -1.26 -4.91 115.26 113.75 1g11 n ASN 11 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1g11 n ASN 11 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1g11 n ASN 11 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1g11 n ASN 12 N -2.71 0.00 -5.00 6.41 0.23 -1.26 -4.81 115.26 108.12 1g11 n ASN 12 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.87 1g11 n ASN 12 Cb 0.33 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.05 1g11 n ASN 12 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1g11 s VAL 13 N -1.23 2.88 -0.39 3.53 -7.23 0.36 -4.41 120.40 113.91 1g11 s VAL 13 Ca 0.00 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1g11 s VAL 13 Cb 0.00 -2.94 0.19 0.00 0.56 0.00 0.00 36.38 34.19 1g11 s VAL 13 CO 0.00 0.00 0.84 -0.83 -0.31 0.00 0.00 175.10 174.80 1g11 s GLY 14 N -4.39 -1.44 -0.33 2.32 0.00 -1.26 -2.45 107.32 99.77 1g11 s GLY 14 Ca 0.56 0.56 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 1g11 s GLY 14 CO 0.34 3.97 1.37 2.56 0.00 0.00 0.00 173.10 181.34 1g11 s PRO 15 N 1.67 3.79 -0.14 2.90 0.04 -1.15 -2.41 135.00 139.70 1g11 s PRO 15 Ca 0.18 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 1g11 s PRO 15 Cb 0.01 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1g11 s PRO 15 CO -0.10 -1.28 -0.02 0.42 0.04 0.00 0.00 177.00 176.06 1g11 s ILE 16 N 4.80 4.08 0.06 0.56 -1.09 0.12 -1.96 121.20 127.76 1g11 s ILE 16 Ca 0.59 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1g11 s ILE 16 Cb -0.17 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1g11 s ILE 16 CO 0.27 0.52 0.07 2.30 -1.23 0.00 0.00 174.94 176.86 1g11 n ILE 17 N 3.20 0.00 -3.35 2.92 -5.35 -0.02 0.27 119.36 117.02 1g11 n ILE 17 Ca -0.17 -0.33 -0.19 0.00 -0.27 0.00 0.00 62.75 61.78 1g11 n ILE 17 Cb 0.53 0.19 -0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1g11 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g11 s ARG 18 N -2.16 3.08 -0.18 6.28 1.70 -1.26 -1.62 118.95 124.79 1g11 s ARG 18 Ca 0.05 -0.95 -0.16 0.00 -0.47 0.00 0.00 55.73 54.20 1g11 s ARG 18 Cb -0.00 -2.77 -0.04 0.00 -0.57 0.00 0.00 34.95 31.57 1g11 s ARG 18 CO 0.04 -0.02 0.40 0.00 -1.08 0.00 0.00 175.30 174.63 1g11 s ALA 19 N -2.25 3.55 0.00 7.88 0.00 0.25 -3.85 121.76 127.34 1g11 s ALA 19 Ca 0.46 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1g11 s ALA 19 Cb -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1g11 s ALA 19 CO 0.32 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1g11 n GLY 20 N 3.69 0.49 0.00 0.00 0.00 -1.26 -4.80 105.19 103.32 1g11 n GLY 20 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.06 0.00 -0.30 1.61 2.03 -1.26 -4.92 116.55 112.64 1g11 n ASP 21 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1g11 n ASP 21 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 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 2.65 0.00 -2.67 7.99 -1.26 -4.52 117.00 119.19 1g11 n LEU 22 Ca 0.00 -2.59 0.12 0.00 -0.01 0.00 0.00 56.01 53.54 1g11 n LEU 22 Cb 0.00 -0.30 0.55 0.00 -0.11 0.00 0.00 43.42 43.57 1g11 n LEU 22 CO 0.00 0.64 0.91 0.52 -1.51 0.00 0.00 177.39 177.96 1g11 n VAL 23 N -0.67 0.22 0.03 4.08 0.31 -1.26 -1.99 118.33 119.06 1g11 n VAL 23 Ca 0.12 0.05 -0.04 0.00 -0.01 0.00 0.00 64.34 64.46 1g11 n VAL 23 Cb 0.54 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.19 0.00 5.55 4.39 -1.98 -0.33 114.58 122.02 1g11 h GLU 24 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1g11 h GLU 24 Cb 0.45 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1g11 h GLU 24 CO 0.00 -0.07 0.00 -0.35 -1.16 0.00 0.00 179.01 177.43 1g11 n PRO 25 N -4.90 0.02 -0.06 2.33 -0.04 -1.24 -1.56 135.00 129.54 1g11 n PRO 25 Ca -0.03 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1g11 n PRO 25 Cb 0.10 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.55 1.63 0.06 0.52 0.31 -0.84 -2.62 118.33 115.83 1g11 n VAL 26 Ca 0.05 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 64.09 1g11 n VAL 26 Cb 0.26 -1.92 0.25 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.59 1.26 -0.17 2.52 6.09 -0.99 0.57 117.51 126.19 1g11 h ILE 27 Ca -0.39 -1.22 -0.14 0.00 -1.37 0.00 0.00 64.86 61.74 1g11 h ILE 27 Cb 1.59 1.39 0.00 0.00 0.47 0.00 0.00 36.82 40.28 1g11 h ILE 27 CO -0.11 0.38 -0.46 -0.08 -3.07 0.00 0.00 178.15 174.81 1g11 h GLU 28 N 0.33 0.61 0.00 2.19 4.22 -1.44 -1.59 114.58 118.90 1g11 h GLU 28 Ca 0.05 -0.43 -0.10 0.00 0.08 0.00 0.00 59.36 58.96 1g11 h GLU 28 Cb 0.63 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1g11 h GLU 28 CO 0.05 1.05 -0.47 1.15 -2.18 0.00 0.00 179.01 178.61 1g11 h THR 29 N 0.27 0.97 0.00 0.32 2.02 -1.26 -2.34 112.91 112.89 1g11 h THR 29 Ca -0.01 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 1g11 h THR 29 Cb 1.08 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1g11 h THR 29 CO 0.10 0.46 -0.05 0.00 0.37 0.00 0.00 175.52 176.40 1g11 h ALA 30 N 1.53 0.97 0.21 6.16 0.00 0.21 -2.23 119.26 126.12 1g11 h ALA 30 Ca -0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1g11 h ALA 30 Cb 1.10 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.91 1g11 h ALA 30 CO 0.06 0.06 -1.62 0.93 0.00 0.00 0.00 179.25 178.68 1g11 h GLU 31 N 0.00 0.44 -0.28 0.00 4.39 -0.98 -3.31 114.58 114.85 1g11 h GLU 31 Ca -0.00 -0.76 -0.13 0.00 0.34 0.00 0.00 59.36 58.81 1g11 h GLU 31 Cb 0.94 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1g11 h GLU 31 CO 0.01 1.36 -0.35 -0.84 -1.16 0.00 0.00 179.01 178.03 1g11 h ILE 32 N 0.12 1.29 -0.17 3.13 3.07 -1.42 -2.26 117.51 121.26 1g11 h ILE 32 Ca -0.30 -1.48 0.05 0.00 1.55 0.00 0.00 64.86 64.68 1g11 h ILE 32 Cb 2.12 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 40.12 1g11 h ILE 32 CO 0.22 0.47 0.21 -0.78 -1.05 0.00 0.00 178.15 177.22 1g11 h ASP 33 N 0.52 0.00 -3.54 2.16 3.58 -1.50 -3.40 116.42 114.23 1g11 h ASP 33 Ca 0.05 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.84 1g11 h ASP 33 Cb 0.84 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.74 1g11 h ASP 33 CO 0.07 0.00 -0.71 0.21 -2.88 0.00 0.00 179.24 175.93 1g11 s ASN 34 N -5.67 4.62 -0.59 2.28 3.04 -0.85 -5.00 114.94 112.76 1g11 s ASN 34 Ca -0.05 -0.24 -0.06 0.00 0.04 0.00 0.00 52.86 52.56 1g11 s ASN 34 Cb 0.15 -1.02 -0.14 0.00 -1.54 0.00 0.00 41.25 38.70 1g11 s ASN 34 CO 0.53 0.22 2.69 -0.81 -3.04 0.00 0.00 177.10 176.69 1g11 n PRO 35 N 1.06 2.14 -2.31 0.43 -0.04 -1.26 -4.66 135.00 130.36 1g11 n PRO 35 Ca -0.14 -1.25 -0.41 0.00 -0.04 0.00 0.00 63.50 61.66 1g11 n PRO 35 Cb 0.52 -2.23 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 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 3.13 5.64 2.10 0.55 0.00 -1.26 -4.80 105.19 110.55 1g11 n GLY 36 Ca 0.46 -2.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 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 0.92 2.18 0.00 1.61 0.00 -1.26 -3.44 118.16 118.17 1g11 n LYS 37 Ca 0.54 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 1g11 n LYS 37 Cb 0.26 -2.07 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 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 2.30 0.00 -4.04 -1.58 0.28 -1.26 -5.16 120.64 111.18 1g11 n GLU 38 Ca 0.46 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.34 1g11 n GLU 38 Cb 0.82 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.57 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 0.41 0.37 3.84 1.09 -1.22 -4.55 121.20 121.13 1g11 s ILE 39 Ca 0.00 -0.94 0.08 0.00 -1.10 0.00 0.00 60.65 58.69 1g11 s ILE 39 Cb 0.00 -0.49 -0.05 0.00 -1.06 0.00 0.00 42.46 40.87 1g11 s ILE 39 CO 0.00 -0.36 0.13 0.28 -0.10 0.00 0.00 174.94 174.89 1g11 s THR 40 N -1.26 2.69 -0.14 2.92 -1.32 -1.05 -5.03 115.64 112.45 1g11 s THR 40 Ca -0.10 -1.74 -0.10 0.00 -1.21 0.00 0.00 61.69 58.53 1g11 s THR 40 Cb -0.09 -2.95 0.04 0.00 -1.51 0.00 0.00 72.50 68.00 1g11 s THR 40 CO -0.00 -0.12 0.35 -0.69 -2.21 0.00 0.00 174.62 171.95 1g11 s VAL 41 N -2.50 -0.02 -0.80 5.08 1.01 -1.26 -2.27 120.40 119.63 1g11 s VAL 41 Ca 0.38 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1g11 s VAL 41 Cb 0.00 -0.51 0.24 0.00 0.00 0.00 0.00 36.38 36.11 1g11 s VAL 41 CO 0.22 0.02 0.86 -0.62 0.00 0.00 0.00 175.10 175.59 1g11 n GLU 42 N 3.61 2.83 -2.77 2.72 1.02 0.71 -4.97 120.64 123.78 1g11 n GLU 42 Ca -0.19 -4.58 -0.43 0.00 -0.02 0.00 0.00 57.16 51.95 1g11 n GLU 42 Cb 0.56 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.59 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 -1.59 6.25 -0.12 1.62 1.01 -1.26 -2.53 116.67 120.05 1g11 s ASP 43 Ca 0.33 -0.57 -0.04 0.00 0.71 0.00 0.00 52.55 52.98 1g11 s ASP 43 Cb 0.05 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 1g11 s ASP 43 CO -0.04 -1.44 -0.05 -0.09 0.21 0.00 0.00 175.17 173.76 1g11 h ARG 44 N 9.56 0.00 0.00 8.23 9.65 -1.94 -3.50 114.38 136.38 1g11 h ARG 44 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1g11 h ARG 44 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1g11 h ARG 44 CO 1.17 0.02 0.00 0.54 2.80 0.00 0.00 179.97 184.50 1g11 n ARG 45 N -4.71 0.00 0.10 0.20 1.74 -1.26 -4.94 116.66 107.78 1g11 n ARG 45 Ca -0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.89 1g11 n ARG 45 Cb 0.11 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.16 -2.11 7.54 0.00 -1.96 -3.42 119.26 119.47 1g11 h ALA 46 Ca 0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 54.91 53.64 1g11 h ALA 46 Cb 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.66 1g11 h ALA 46 CO 0.00 0.89 -0.61 0.71 0.00 0.00 0.00 179.25 180.24 1g11 s TYR 47 N -2.86 1.86 -0.12 0.00 2.02 -1.26 -0.58 117.35 116.41 1g11 s TYR 47 Ca -0.05 -1.00 -0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1g11 s TYR 47 Cb 0.07 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 1g11 s TYR 47 CO 0.88 -0.07 -0.09 0.08 -1.57 0.00 0.00 175.55 174.79 1g11 s VAL 48 N -3.40 1.12 0.11 0.71 1.01 -0.64 -3.29 120.40 116.02 1g11 s VAL 48 Ca 0.37 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1g11 s VAL 48 Cb 0.08 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1g11 s VAL 48 CO 0.15 0.37 -0.20 -0.60 0.00 0.00 0.00 175.10 174.82 1g11 s ARG 49 N 1.67 1.73 0.08 2.72 3.52 -1.05 -0.84 118.95 126.77 1g11 s ARG 49 Ca 0.05 -1.20 -0.05 0.00 -0.13 0.00 0.00 55.73 54.40 1g11 s ARG 49 Cb -0.13 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.17 1g11 s ARG 49 CO -0.09 0.48 0.09 0.42 -0.81 0.00 0.00 175.30 175.40 1g11 s ILE 50 N -1.10 0.17 -0.08 4.11 1.01 -0.83 -0.21 121.20 124.27 1g11 s ILE 50 Ca 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1g11 s ILE 50 Cb -0.10 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 40.93 1g11 s ILE 50 CO 0.09 -0.77 0.17 0.00 0.00 0.00 0.00 174.94 174.43 1g11 s ALA 51 N -3.90 -0.32 -0.15 9.38 0.00 -0.96 -2.92 121.76 122.89 1g11 s ALA 51 Ca 0.08 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1g11 s ALA 51 Cb 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1g11 s ALA 51 CO -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.38 1g11 s ALA 52 N 1.40 1.32 -0.89 0.00 0.00 -1.03 -2.52 121.76 120.04 1g11 s ALA 52 Ca -0.07 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1g11 s ALA 52 Cb -0.11 -1.04 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1g11 s ALA 52 CO -0.07 -0.70 2.58 0.39 0.00 0.00 0.00 175.76 177.96 1g11 n GLU 53 N 4.94 3.53 0.00 0.00 1.02 -1.26 -0.49 120.64 128.38 1g11 n GLU 53 Ca -0.11 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 1g11 n GLU 53 Cb 0.48 -2.39 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1g11 n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g11 n GLY 54 N 1.31 -1.55 3.80 0.62 0.00 -1.26 -4.98 105.19 103.13 1g11 n GLY 54 Ca 0.56 0.62 -0.04 0.00 0.00 0.00 0.00 46.02 47.16 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 1.36 0.36 1.61 -1.05 -1.26 -0.38 118.70 119.33 1g11 s GLU 55 Ca 0.00 -0.80 -0.06 0.00 -0.15 0.00 0.00 54.97 53.96 1g11 s GLU 55 Cb 0.00 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1g11 s GLU 55 CO 0.00 -0.63 0.58 1.28 0.95 0.00 0.00 175.26 177.44 1g11 n LEU 56 N -0.54 0.00 -3.23 1.83 4.77 0.14 -4.94 117.00 115.03 1g11 n LEU 56 Ca -0.05 -2.74 -0.01 0.00 -0.03 0.00 0.00 56.01 53.18 1g11 n LEU 56 Cb 0.60 2.91 -0.04 0.00 -2.33 0.00 0.00 43.42 44.57 1g11 n LEU 56 CO 0.17 -0.71 0.06 -0.51 -1.33 0.00 0.00 177.39 175.07 1g11 s ILE 57 N -2.59 -0.84 -0.13 -0.08 -1.16 -1.26 -2.24 121.20 112.90 1g11 s ILE 57 Ca 0.25 -0.05 -0.05 0.00 -0.51 0.00 0.00 60.65 60.29 1g11 s ILE 57 Cb -0.02 -0.94 -0.04 0.00 0.61 0.00 0.00 42.46 42.07 1g11 s ILE 57 CO 0.18 -0.07 0.04 -0.76 -2.81 0.00 0.00 174.94 171.52 1g11 s LEU 58 N 2.72 3.77 -0.02 8.50 1.43 0.17 -4.87 118.68 130.39 1g11 s LEU 58 Ca 0.16 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1g11 s LEU 58 Cb -0.14 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1g11 s LEU 58 CO -0.21 0.30 0.84 0.35 0.23 0.00 0.00 176.35 177.86 1g11 n THR 59 N 2.68 0.35 -1.03 5.49 -2.24 -1.26 -0.28 114.28 117.99 1g11 n THR 59 Ca -0.18 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 1g11 n THR 59 Cb 0.53 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.24 1.89 0.30 -0.78 5.12 -1.26 -4.46 116.66 117.23 1g11 n ARG 60 Ca 0.02 -1.48 0.18 0.00 -1.93 0.00 0.00 57.85 54.63 1g11 n ARG 60 Cb 0.57 -1.74 0.99 0.00 -1.16 0.00 0.00 32.46 31.12 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 2.07 0.00 -0.08 5.56 -0.00 -1.89 -1.20 116.57 121.03 1g11 h LYS 61 Ca 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.89 1g11 h LYS 61 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.19 1g11 h LYS 61 CO 0.61 0.00 -0.04 1.15 -0.00 0.00 0.00 179.45 181.16 1g11 h THR 62 N 0.00 1.32 -0.26 0.07 2.02 -1.91 0.39 112.91 114.54 1g11 h THR 62 Ca 0.01 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1g11 h THR 62 Cb 0.11 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1g11 h THR 62 CO -0.00 0.30 0.15 0.25 0.37 0.00 0.00 175.52 176.58 1g11 h LEU 63 N -0.19 0.32 -1.05 2.58 6.46 -1.62 0.44 115.31 122.25 1g11 h LEU 63 Ca 0.02 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1g11 h LEU 63 Cb 0.49 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1g11 h LEU 63 CO 0.01 0.30 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.78 1g11 h GLU 64 N 0.31 0.65 -0.40 1.25 4.39 -1.35 -0.41 114.58 119.02 1g11 h GLU 64 Ca 0.09 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 1g11 h GLU 64 Cb 0.04 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1g11 h GLU 64 CO -0.02 0.68 -0.36 0.93 -1.16 0.00 0.00 179.01 179.09 1g11 h GLU 65 N 0.61 0.93 -0.13 2.33 5.08 0.35 -3.19 114.58 120.56 1g11 h GLU 65 Ca 0.12 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1g11 h GLU 65 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1g11 h GLU 65 CO 0.02 1.13 0.01 1.96 -1.00 0.00 0.00 179.01 181.13 1g11 h GLN 66 N 0.77 0.23 -1.79 2.33 4.20 0.25 0.66 115.11 121.75 1g11 h GLN 66 Ca 0.07 -0.07 0.52 0.00 0.06 0.00 0.00 58.65 59.23 1g11 h GLN 66 Cb 0.95 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.63 1g11 h GLN 66 CO 0.09 0.44 1.33 -0.07 -0.67 0.00 0.00 178.83 179.95 1g11 h LEU 67 N -0.01 0.00 -5.13 1.46 3.38 -1.06 -2.60 115.31 111.34 1g11 h LEU 67 Ca 0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 1g11 h LEU 67 Cb 0.32 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.90 1g11 h LEU 67 CO 0.00 0.00 -0.56 0.61 0.09 0.00 0.00 178.44 178.58 1g11 n GLY 68 N -1.89 0.65 0.28 0.83 0.00 -0.92 -4.99 105.19 99.16 1g11 n GLY 68 Ca 0.40 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.32 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 3.59 0.59 -3.57 1.61 3.08 0.72 -3.01 114.38 117.39 1g11 h ARG 69 Ca -0.10 -0.04 -0.55 0.00 0.07 0.00 0.00 59.98 59.36 1g11 h ARG 69 Cb 1.04 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.98 1g11 h ARG 69 CO 0.28 0.39 2.99 -0.35 -1.07 0.00 0.00 179.97 182.21 1g11 n PRO 70 N -4.87 2.56 -0.47 0.04 -0.04 -1.26 -4.73 135.00 126.22 1g11 n PRO 70 Ca 0.13 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1g11 n PRO 70 Cb 0.34 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.85 -0.44 -3.36 0.54 -1.74 -1.14 -5.19 117.46 110.98 1g11 n PHE 71 Ca 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.45 1g11 n PHE 71 Cb 0.24 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.24 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 -0.44 0.00 0.01 5.98 3.02 -1.26 -5.02 115.26 117.54 1g11 n ASN 72 Ca 0.00 -0.59 0.14 0.00 -0.03 0.00 0.00 54.58 54.10 1g11 n ASN 72 Cb 0.00 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.02 -0.12 3.52 0.00 -1.26 -3.36 117.12 115.92 1g11 n MET 73 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 57.70 57.67 1g11 n MET 73 Cb 0.00 -1.52 0.16 0.00 0.00 0.00 0.00 33.22 31.86 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 0.82 0.00 3.17 -0.00 -2.00 -1.98 115.11 115.12 1g11 h GLN 74 Ca 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.65 58.37 1g11 h GLN 74 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1g11 h GLN 74 CO 0.00 0.80 -0.33 0.93 0.00 0.00 0.00 178.83 180.23 1g11 h GLU 75 N 0.77 0.00 0.37 1.69 5.08 -1.97 -1.57 114.58 118.96 1g11 h GLU 75 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1g11 h GLU 75 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1g11 h GLU 75 CO 0.01 0.33 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.11 1g11 h LEU 76 N 0.00 -0.42 -0.56 1.33 4.07 -1.52 1.37 115.31 119.58 1g11 h LEU 76 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1g11 h LEU 76 Cb 0.65 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1g11 h LEU 76 CO 0.04 -0.22 0.00 1.21 -1.08 0.00 0.00 178.44 178.39 1g11 n GLU 77 N -5.26 0.17 -0.02 1.13 2.13 -1.12 -2.12 120.64 115.55 1g11 n GLU 77 Ca -0.11 0.39 -0.12 0.00 0.66 0.00 0.00 57.16 57.98 1g11 n GLU 77 Cb 0.24 -1.81 -0.14 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 -2.13 1.64 -2.06 6.31 2.08 -0.60 -4.41 119.36 120.19 1g11 n ILE 78 Ca 0.02 -0.77 -0.42 0.00 0.56 0.00 0.00 62.75 62.15 1g11 n ILE 78 Cb 0.23 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 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 -3.14 5.19 -4.09 4.38 3.02 0.46 -4.88 115.26 116.21 1g11 n ASN 79 Ca -0.21 -3.00 -0.09 0.00 -0.03 0.00 0.00 54.58 51.25 1g11 n ASN 79 Cb 1.05 -1.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.60 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 0.40 1.74 0.06 3.41 0.05 -1.26 -4.64 118.68 118.45 1g11 s LEU 80 Ca 0.45 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.55 1g11 s LEU 80 Cb 0.12 0.47 0.00 0.00 -2.05 0.00 0.00 46.19 44.74 1g11 s LEU 80 CO -0.04 -0.73 0.00 0.00 -0.55 0.00 0.00 176.35 175.03 1g11 n ALA 81 N -0.08 3.00 -3.85 1.48 0.00 0.16 -4.47 120.51 116.76 1g11 n ALA 81 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1g11 n ALA 81 Cb 0.63 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.22 1g11 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g11 s SER 82 N -5.07 -0.02 -0.21 0.00 0.15 0.14 -4.90 113.70 103.78 1g11 s SER 82 Ca 0.00 -0.77 -0.27 0.00 0.70 0.00 0.00 55.95 55.61 1g11 s SER 82 Cb 0.00 0.60 0.11 0.00 -1.71 0.00 0.00 66.02 65.01 1g11 s SER 82 CO 0.00 -1.18 0.91 -0.36 1.20 0.00 0.00 173.24 173.81 1g11 s PHE 83 N -2.38 -0.54 -0.09 3.44 0.08 -1.25 0.12 117.98 117.36 1g11 s PHE 83 Ca 0.19 1.17 -0.08 0.00 0.12 0.00 0.00 56.93 58.33 1g11 s PHE 83 Cb -0.03 0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.77 1g11 s PHE 83 CO 0.07 -0.34 -0.15 0.00 -0.10 0.00 0.00 175.22 174.70 1g11 n ALA 84 N 1.74 0.37 -1.12 5.36 0.00 -1.01 -4.94 120.51 120.91 1g11 n ALA 84 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1g11 n ALA 84 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 1.58 0.92 3.25 0.00 0.00 -1.26 -4.90 105.19 104.78 1g11 n GLY 85 Ca -0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.53 1.18 0.39 1.61 -1.52 -1.19 -5.00 119.66 115.66 1g11 s GLN 86 Ca 0.00 -1.59 0.05 0.00 -1.95 0.00 0.00 55.36 51.87 1g11 s GLN 86 Cb 0.00 -0.19 -0.07 0.00 -0.22 0.00 0.00 33.01 32.53 1g11 s GLN 86 CO 0.00 -0.20 0.03 0.96 -0.25 0.00 0.00 175.29 175.83 1g11 s ILE 87 N -3.74 1.63 -0.26 1.08 -4.36 -1.26 -2.84 121.20 111.44 1g11 s ILE 87 Ca 0.29 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1g11 s ILE 87 Cb 0.07 -2.85 0.14 0.00 1.25 0.00 0.00 42.46 41.07 1g11 s ILE 87 CO 0.07 0.00 0.51 -1.10 0.24 0.00 0.00 174.94 174.66 1g11 s GLN 88 N -3.78 0.46 -0.00 0.37 -0.21 0.94 -4.97 119.66 112.46 1g11 s GLN 88 Ca 0.33 0.98 -0.13 0.00 0.02 0.00 0.00 55.36 56.56 1g11 s GLN 88 Cb 0.09 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.34 1g11 s GLN 88 CO 0.16 -0.46 0.37 0.00 -2.12 0.00 0.00 175.29 173.25 1g11 s ALA 89 N 2.73 3.73 0.30 6.09 0.00 -1.26 0.27 121.76 133.61 1g11 s ALA 89 Ca 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1g11 s ALA 89 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1g11 s ALA 89 CO -0.17 0.51 0.21 -3.47 0.00 0.00 0.00 175.76 172.84 1g11 n ASP 90 N 1.68 2.02 -0.24 0.00 -0.08 -0.98 -4.95 116.55 114.00 1g11 n ASP 90 Ca -0.14 -2.05 -0.03 0.00 -1.51 0.00 0.00 54.79 51.07 1g11 n ASP 90 Cb 0.53 -0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -1.17 -0.18 -2.79 -0.67 0.28 -1.26 -2.89 120.64 111.96 1g11 n GLU 91 Ca -0.02 0.91 -0.10 0.00 -0.16 0.00 0.00 57.16 57.79 1g11 n GLU 91 Cb 0.34 -1.35 0.06 0.00 1.43 0.00 0.00 31.44 31.93 1g11 n GLU 91 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1g11 n ASP 92 N -4.83 -0.58 -0.87 -1.84 2.03 -1.26 -5.12 116.55 104.08 1g11 n ASP 92 Ca 0.04 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1g11 n ASP 92 Cb 0.21 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1g11 n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g11 n GLN 93 N -0.07 0.00 -3.56 -0.67 10.64 -1.14 -4.48 117.38 118.10 1g11 n GLN 93 Ca 0.08 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1g11 n GLN 93 Cb 0.77 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 30.11 1g11 n GLN 93 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1g11 s ILE 94 N -2.69 -0.86 0.14 -0.39 2.07 0.62 -2.32 121.20 117.77 1g11 s ILE 94 Ca 0.00 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.34 1g11 s ILE 94 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1g11 s ILE 94 CO 0.00 0.00 -0.24 0.00 -1.91 0.00 0.00 174.94 172.79 1g11 s ARG 95 N 2.78 1.36 0.16 3.50 3.03 0.14 0.45 118.95 130.38 1g11 s ARG 95 Ca -0.04 -1.36 0.09 0.00 2.03 0.00 0.00 55.73 56.45 1g11 s ARG 95 Cb -0.10 -1.72 -0.04 0.00 -1.03 0.00 0.00 34.95 32.05 1g11 s ARG 95 CO -0.19 0.39 -0.21 -0.06 -1.13 0.00 0.00 175.30 174.11 1g11 s PHE 96 N -1.35 1.98 0.19 5.89 0.40 -0.95 -0.04 117.98 124.10 1g11 s PHE 96 Ca 0.14 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1g11 s PHE 96 Cb -0.09 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.44 1g11 s PHE 96 CO 0.07 0.36 0.42 1.52 0.70 0.00 0.00 175.22 178.29 1g11 s TYR 97 N -1.74 0.16 -0.02 0.36 -0.85 -1.13 0.28 117.35 114.40 1g11 s TYR 97 Ca 0.16 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.24 1g11 s TYR 97 Cb -0.07 0.18 -0.08 0.00 0.38 0.00 0.00 41.96 42.37 1g11 s TYR 97 CO 0.07 -0.85 0.08 1.97 -1.52 0.00 0.00 175.55 175.30 1g11 n PHE 98 N -0.29 0.00 -2.44 -3.49 -1.74 0.49 -3.17 117.46 106.81 1g11 n PHE 98 Ca -0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.38 1g11 n PHE 98 Cb 0.63 -0.17 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 1g11 n PHE 98 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1g11 s ASP 99 N -3.00 6.50 0.74 5.98 1.01 -1.25 -1.08 116.67 125.58 1g11 s ASP 99 Ca -0.02 0.81 -0.01 0.00 0.71 0.00 0.00 52.55 54.04 1g11 s ASP 99 Cb 0.03 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1g11 s ASP 99 CO 0.22 -1.30 0.02 2.29 0.21 0.00 0.00 175.17 176.62 1g11 n LYS 100 N 7.82 -0.98 -0.95 8.23 2.85 0.52 -4.81 118.16 130.84 1g11 n LYS 100 Ca 0.15 -0.04 -0.31 0.00 -1.05 0.00 0.00 58.31 57.05 1g11 n LYS 100 Cb 0.48 -0.06 0.02 0.00 -0.65 0.00 0.00 35.03 34.82 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 -2.81 0.00 -0.32 0.58 5.66 -1.26 -5.06 114.28 111.07 1g11 n THR 101 Ca 0.00 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1g11 n THR 101 Cb 0.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1g11 n THR 101 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17