#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 n SER 2 N 0.00 1.18 -4.62 1.61 7.64 -1.26 -5.08 113.62 113.09 1xg1 n SER 2 Ca 0.00 -2.42 -0.43 0.00 1.01 0.00 0.00 58.87 57.03 1xg1 n SER 2 Cb 0.00 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.80 1xg1 n SER 2 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xg1 s HIS 3 N -3.06 2.73 -0.29 1.43 5.65 -1.26 -4.77 115.29 115.72 1xg1 s HIS 3 Ca 0.26 0.87 -0.16 0.00 0.25 0.00 0.00 55.06 56.28 1xg1 s HIS 3 Cb 0.40 -4.00 0.18 0.00 -1.18 0.00 0.00 32.58 27.99 1xg1 s HIS 3 CO -0.00 -1.55 1.13 1.41 -0.65 0.00 0.00 174.74 175.08 1xg1 s MET 4 N 4.23 0.19 -1.26 2.88 0.00 -1.26 -4.99 119.30 119.09 1xg1 s MET 4 Ca 0.54 0.34 -0.10 0.00 0.00 0.00 0.00 55.69 56.47 1xg1 s MET 4 Cb -0.14 0.04 -0.00 0.00 0.00 0.00 0.00 34.83 34.73 1xg1 s MET 4 CO 0.24 -0.04 0.64 0.39 0.00 0.00 0.00 175.02 176.25 1xg1 n GLU 5 N 3.40 -2.49 -0.69 4.11 1.02 -1.26 -4.68 120.64 120.05 1xg1 n GLU 5 Ca -0.18 0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 1xg1 n GLU 5 Cb 0.57 -4.41 -0.05 0.00 -0.02 0.00 0.00 31.44 27.52 1xg1 n GLU 5 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xg1 n ASP 6 N -2.84 4.26 0.14 1.62 2.03 -1.26 -4.35 116.55 116.15 1xg1 n ASP 6 Ca -0.20 -2.22 0.01 0.00 0.52 0.00 0.00 54.79 52.90 1xg1 n ASP 6 Cb 0.64 -1.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.19 1xg1 n ASP 6 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1xg1 h SER 7 N 5.33 0.00 0.00 1.67 0.87 -2.03 -3.43 113.55 115.96 1xg1 h SER 7 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1xg1 h SER 7 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1xg1 h SER 7 CO 0.96 0.56 0.00 0.41 -0.53 0.00 0.00 176.83 178.24 1xg1 n THR 8 N -3.49 0.00 -0.09 2.23 -1.04 -1.26 -5.15 114.28 105.48 1xg1 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xg1 n THR 8 Cb 0.66 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1xg1 n THR 8 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xg1 n THR 9 N -2.68 0.00 -2.59 12.58 -1.04 -1.26 -5.08 114.28 114.21 1xg1 n THR 9 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1xg1 n THR 9 Cb 0.00 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 1xg1 n THR 9 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xg1 n ASN 10 N 0.00 1.31 -4.65 8.00 6.94 -1.26 -4.19 115.26 121.41 1xg1 n ASN 10 Ca 0.00 -2.10 -0.43 0.00 -0.02 0.00 0.00 54.58 52.03 1xg1 n ASN 10 Cb 0.00 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.02 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xg1 s ILE 11 N -1.60 4.43 0.00 1.53 1.01 -1.26 -2.30 121.20 123.01 1xg1 s ILE 11 Ca 0.32 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.65 1xg1 s ILE 11 Cb 0.36 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1xg1 s ILE 11 CO -0.11 -0.32 0.00 0.41 0.00 0.00 0.00 174.94 174.91 1xg1 n THR 12 N 5.68 0.00 -3.17 2.92 -1.04 -1.26 -5.05 114.28 112.36 1xg1 n THR 12 Ca 0.13 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.75 1xg1 n THR 12 Cb 0.46 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 1xg1 n THR 12 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xg1 s LYS 13 N -0.97 4.35 -1.16 -2.82 3.01 -0.97 -4.30 119.74 116.89 1xg1 s LYS 13 Ca 0.00 0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 55.60 1xg1 s LYS 13 Cb 0.00 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.44 1xg1 s LYS 13 CO 0.00 0.31 0.79 1.63 0.51 0.00 0.00 175.35 178.60 1xg1 n LYS 14 N 2.90 -2.13 -1.72 1.68 5.02 -1.26 -4.81 118.16 117.84 1xg1 n LYS 14 Ca -0.06 0.57 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 1xg1 n LYS 14 Cb 0.51 -4.70 -0.03 0.00 -0.02 0.00 0.00 35.03 30.79 1xg1 n LYS 14 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xg1 s GLN 15 N -5.64 2.86 -0.16 1.97 -1.52 -1.26 -4.94 119.66 110.96 1xg1 s GLN 15 Ca 0.38 1.61 -0.07 0.00 -1.95 0.00 0.00 55.36 55.32 1xg1 s GLN 15 Cb -0.11 -4.39 -0.04 0.00 -0.22 0.00 0.00 33.01 28.24 1xg1 s GLN 15 CO 0.83 -2.42 0.09 0.15 -0.25 0.00 0.00 175.29 173.68 1xg1 s LYS 16 N 6.77 3.81 0.30 2.91 1.02 -1.26 -5.08 119.74 128.20 1xg1 s LYS 16 Ca 0.92 -0.28 -0.28 0.00 0.02 0.00 0.00 55.97 56.35 1xg1 s LYS 16 Cb -0.25 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 33.76 1xg1 s LYS 16 CO 0.31 0.43 1.00 -1.58 -0.92 0.00 0.00 175.35 174.60 1xg1 s TRP 17 N -0.06 3.69 0.55 3.18 0.52 -1.26 -5.04 118.94 120.52 1xg1 s TRP 17 Ca 0.08 1.78 -0.16 0.00 0.02 0.00 0.00 56.10 57.81 1xg1 s TRP 17 Cb -0.12 -3.08 -0.06 0.00 -1.15 0.00 0.00 33.47 29.06 1xg1 s TRP 17 CO 0.01 -0.06 1.02 0.95 0.02 0.00 0.00 176.95 178.88 1xg1 s THR 18 N -1.35 4.19 0.39 2.01 -4.23 -1.26 -4.87 115.64 110.52 1xg1 s THR 18 Ca 0.47 1.06 0.09 0.00 -1.18 0.00 0.00 61.69 62.12 1xg1 s THR 18 Cb -0.25 -3.56 0.30 0.00 1.34 0.00 0.00 72.50 70.33 1xg1 s THR 18 CO 0.32 -0.59 1.97 1.62 -0.54 0.00 0.00 174.62 177.39 1xg1 h VAL 19 N 0.72 0.98 0.39 2.29 3.04 -1.98 -1.01 116.25 120.69 1xg1 h VAL 19 Ca -0.47 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1xg1 h VAL 19 Cb 1.20 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1xg1 h VAL 19 CO 0.60 0.11 -0.19 -0.08 -1.01 0.00 0.00 177.57 177.00 1xg1 h GLU 20 N 0.62 -0.51 -0.77 4.17 4.57 -1.99 -0.16 114.58 120.51 1xg1 h GLU 20 Ca 0.29 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1xg1 h GLU 20 Cb 0.34 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1xg1 h GLU 20 CO -0.09 -0.33 0.50 0.93 -1.18 0.00 0.00 179.01 178.84 1xg1 h GLU 21 N -0.54 0.98 -0.32 1.92 5.08 -1.80 -2.12 114.58 117.78 1xg1 h GLU 21 Ca -0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1xg1 h GLU 21 Cb 0.41 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xg1 h GLU 21 CO 0.09 0.65 -0.11 0.77 -1.00 0.00 0.00 179.01 179.41 1xg1 h SER 22 N 1.01 0.52 0.20 1.42 0.02 -1.05 -2.50 113.55 113.17 1xg1 h SER 22 Ca 0.29 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1xg1 h SER 22 Cb -0.07 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1xg1 h SER 22 CO -0.08 0.67 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.51 1xg1 h GLU 23 N 0.50 0.30 -0.64 3.45 4.39 -0.45 -3.02 114.58 119.10 1xg1 h GLU 23 Ca 0.09 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1xg1 h GLU 23 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1xg1 h GLU 23 CO 0.03 0.69 0.34 -1.49 -1.16 0.00 0.00 179.01 177.42 1xg1 h TRP 24 N 0.25 0.90 -0.70 4.33 6.55 -0.95 -1.17 115.95 125.15 1xg1 h TRP 24 Ca 0.02 -0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.80 1xg1 h TRP 24 Cb 0.88 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.86 1xg1 h TRP 24 CO 0.02 0.65 0.32 -0.39 -1.05 0.00 0.00 178.44 177.99 1xg1 h VAL 25 N 0.88 1.23 -0.08 1.49 -1.51 -1.41 0.36 116.25 117.21 1xg1 h VAL 25 Ca 0.23 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 1xg1 h VAL 25 Cb 0.06 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 29.56 1xg1 h VAL 25 CO -0.03 0.28 0.03 0.50 -1.23 0.00 0.00 177.57 177.11 1xg1 h LYS 26 N 1.00 0.12 -0.56 5.19 3.64 -1.31 -1.18 116.57 123.48 1xg1 h LYS 26 Ca 0.24 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1xg1 h LYS 26 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1xg1 h LYS 26 CO -0.03 0.27 -0.01 0.00 -2.27 0.00 0.00 179.45 177.41 1xg1 h ALA 27 N 0.85 0.76 -0.76 5.00 0.00 -0.93 -2.98 119.26 121.19 1xg1 h ALA 27 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xg1 h ALA 27 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xg1 h ALA 27 CO -0.00 0.60 0.44 0.78 0.00 0.00 0.00 179.25 181.06 1xg1 h GLY 28 N 0.88 1.11 1.42 0.00 0.00 -0.16 0.12 103.07 106.45 1xg1 h GLY 28 Ca 0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1xg1 h GLY 28 CO 0.03 0.46 0.14 -2.08 0.00 0.00 0.00 176.54 175.09 1xg1 h VAL 29 N 1.05 1.21 0.11 4.60 2.07 -1.06 0.66 116.25 124.88 1xg1 h VAL 29 Ca 0.27 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.88 1xg1 h VAL 29 Cb -0.01 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1xg1 h VAL 29 CO -0.05 0.27 -0.83 -0.61 0.02 0.00 0.00 177.57 176.37 1xg1 h GLN 30 N 0.72 0.36 -0.05 1.57 5.75 -1.32 -1.70 115.11 120.45 1xg1 h GLN 30 Ca 0.17 -0.54 -0.10 0.00 -0.15 0.00 0.00 58.65 58.02 1xg1 h GLN 30 Cb 0.24 0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.98 1xg1 h GLN 30 CO -0.01 1.23 -0.37 -0.22 -2.65 0.00 0.00 178.83 176.82 1xg1 h LYS 31 N -0.24 0.34 0.00 1.69 3.64 -0.63 -3.40 116.57 117.98 1xg1 h LYS 31 Ca -0.14 -0.30 -0.39 0.00 -1.27 0.00 0.00 60.65 58.56 1xg1 h LYS 31 Cb 1.61 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.44 1xg1 h LYS 31 CO 0.16 0.95 -2.14 0.66 -2.27 0.00 0.00 179.45 176.81 1xg1 n TYR 32 N -4.39 0.35 0.00 1.91 4.02 0.22 -5.07 117.16 114.21 1xg1 n TYR 32 Ca -0.09 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1xg1 n TYR 32 Cb 0.54 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 1xg1 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xg1 n GLY 33 N 1.39 3.90 3.52 2.72 0.00 -0.65 -4.89 105.19 111.19 1xg1 n GLY 33 Ca -0.47 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 1xg1 n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xg1 n GLU 34 N -0.14 1.25 0.00 1.61 2.13 -1.18 -1.87 120.64 122.44 1xg1 n GLU 34 Ca 0.00 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1xg1 n GLU 34 Cb 0.00 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 28.83 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xg1 n GLY 35 N 6.17 3.83 2.17 8.31 0.00 -1.26 -5.01 105.19 119.41 1xg1 n GLY 35 Ca 0.39 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1xg1 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xg1 n ASN 36 N 0.00 6.48 -0.11 1.61 3.02 -0.78 -4.54 115.26 120.94 1xg1 n ASN 36 Ca 0.00 -2.48 -0.05 0.00 -0.03 0.00 0.00 54.58 52.03 1xg1 n ASN 36 Cb 0.00 -1.41 0.15 0.00 -0.61 0.00 0.00 39.78 37.91 1xg1 n ASN 36 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1xg1 h TRP 37 N 4.08 0.85 -0.58 3.10 4.06 -1.89 -1.02 115.95 124.55 1xg1 h TRP 37 Ca 0.48 -0.12 -0.05 0.00 2.06 0.00 0.00 58.89 61.25 1xg1 h TRP 37 Cb 0.90 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.80 1xg1 h TRP 37 CO 1.82 0.79 0.15 0.00 -3.56 0.00 0.00 178.44 177.64 1xg1 h ALA 38 N 1.25 0.76 -0.37 1.49 0.00 -1.87 -0.73 119.26 119.79 1xg1 h ALA 38 Ca 0.14 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1xg1 h ALA 38 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xg1 h ALA 38 CO 0.02 0.45 -0.22 0.00 0.00 0.00 0.00 179.25 179.50 1xg1 h ALA 39 N 1.03 0.92 -0.24 0.00 0.00 -1.86 -1.42 119.26 117.69 1xg1 h ALA 39 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1xg1 h ALA 39 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xg1 h ALA 39 CO -0.00 0.62 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 1xg1 h ILE 40 N 0.64 1.27 -0.31 0.00 2.04 -0.90 -1.53 117.51 118.72 1xg1 h ILE 40 Ca 0.09 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 1xg1 h ILE 40 Cb 0.71 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1xg1 h ILE 40 CO 0.05 0.31 -0.10 0.77 0.00 0.00 0.00 178.15 179.18 1xg1 h SER 41 N 0.19 0.50 -0.36 1.72 4.64 -1.07 0.50 113.55 119.67 1xg1 h SER 41 Ca 0.06 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 1xg1 h SER 41 Cb 0.48 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1xg1 h SER 41 CO 0.02 0.65 -0.10 0.50 -0.87 0.00 0.00 176.83 177.03 1xg1 h LYS 42 N 0.49 0.70 0.08 4.77 3.11 -1.10 -3.35 116.57 121.27 1xg1 h LYS 42 Ca 0.09 -0.27 -0.28 0.00 -2.81 0.00 0.00 60.65 57.38 1xg1 h LYS 42 Cb 0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1xg1 h LYS 42 CO 0.03 0.86 -1.49 -0.91 -2.81 0.00 0.00 179.45 175.13 1xg1 h ASN 43 N 0.49 0.28 -3.98 4.20 2.35 -1.11 -3.47 115.58 114.33 1xg1 h ASN 43 Ca 0.09 -0.79 -0.48 0.00 -0.55 0.00 0.00 56.30 54.58 1xg1 h ASN 43 Cb 0.61 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1xg1 h ASN 43 CO 0.04 1.63 0.40 -0.31 -1.65 0.00 0.00 177.43 177.54 1xg1 s TYR 44 N -2.46 3.27 0.00 1.19 1.51 0.17 -4.92 117.35 116.12 1xg1 s TYR 44 Ca -0.23 1.64 -0.02 0.00 -1.01 0.00 0.00 57.07 57.46 1xg1 s TYR 44 Cb 0.05 -3.08 -0.07 0.00 -0.11 0.00 0.00 41.96 38.75 1xg1 s TYR 44 CO 0.72 -0.53 1.44 -0.35 -1.11 0.00 0.00 175.55 175.72 1xg1 n PRO 45 N -0.18 0.68 -2.31 -1.71 -0.04 -1.26 -4.70 135.00 125.48 1xg1 n PRO 45 Ca 0.05 -0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 1xg1 n PRO 45 Cb 0.50 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1xg1 n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xg1 s PHE 46 N 1.80 3.35 -0.07 0.54 0.40 -1.26 -5.02 117.98 117.72 1xg1 s PHE 46 Ca 0.18 1.34 0.04 0.00 -0.60 0.00 0.00 56.93 57.88 1xg1 s PHE 46 Cb 0.08 -3.50 -0.00 0.00 0.51 0.00 0.00 43.02 40.11 1xg1 s PHE 46 CO 0.00 -1.49 -0.20 0.54 0.70 0.00 0.00 175.22 174.77 1xg1 s VAL 47 N 0.05 1.74 0.00 -0.44 0.11 -1.26 -4.73 120.40 115.87 1xg1 s VAL 47 Ca 0.55 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1xg1 s VAL 47 Cb -0.34 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1xg1 s VAL 47 CO 0.37 0.49 0.00 0.59 -3.33 0.00 0.00 175.10 173.22 1xg1 n ASN 48 N 3.37 0.00 -4.76 3.54 3.02 -1.26 -4.92 115.26 114.25 1xg1 n ASN 48 Ca -0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1xg1 n ASN 48 Cb 0.53 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xg1 s ARG 49 N 0.00 4.36 0.55 3.52 3.00 -1.26 -5.04 118.95 124.07 1xg1 s ARG 49 Ca 0.00 2.19 0.08 0.00 0.00 0.00 0.00 55.73 58.01 1xg1 s ARG 49 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 34.95 31.91 1xg1 s ARG 49 CO 0.00 -0.22 0.66 0.95 0.00 0.00 0.00 175.30 176.69 1xg1 s THR 50 N -0.78 2.12 0.19 0.02 -4.23 -1.26 -4.96 115.64 106.75 1xg1 s THR 50 Ca 0.52 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 59.81 1xg1 s THR 50 Cb -0.39 -2.26 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1xg1 s THR 50 CO 0.49 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.23 1xg1 h ALA 51 N 0.40 0.87 -0.57 3.99 0.00 -1.95 -1.80 119.26 120.20 1xg1 h ALA 51 Ca -0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1xg1 h ALA 51 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xg1 h ALA 51 CO 0.46 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.81 1xg1 h VAL 52 N 0.96 1.23 -0.66 0.00 2.07 -1.95 0.17 116.25 118.06 1xg1 h VAL 52 Ca 0.17 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1xg1 h VAL 52 Cb 0.54 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1xg1 h VAL 52 CO 0.03 0.30 0.32 0.24 0.02 0.00 0.00 177.57 178.47 1xg1 h MET 53 N 0.83 0.95 -0.36 1.57 2.07 -1.84 0.25 114.93 118.40 1xg1 h MET 53 Ca 0.19 -0.14 -0.05 0.00 -2.07 0.00 0.00 59.70 57.63 1xg1 h MET 53 Cb 0.27 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1xg1 h MET 53 CO -0.01 0.76 0.04 0.82 1.07 0.00 0.00 176.91 179.59 1xg1 h ILE 54 N 0.91 1.25 -0.22 -1.22 2.04 -0.59 0.61 117.51 120.29 1xg1 h ILE 54 Ca 0.23 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1xg1 h ILE 54 Cb 0.12 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1xg1 h ILE 54 CO -0.03 0.30 -0.01 0.50 0.00 0.00 0.00 178.15 178.91 1xg1 h LYS 55 N 0.44 0.05 -0.50 2.37 3.64 -0.28 -0.19 116.57 122.11 1xg1 h LYS 55 Ca 0.11 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1xg1 h LYS 55 Cb 0.40 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1xg1 h LYS 55 CO 0.01 0.04 -0.16 0.22 -2.27 0.00 0.00 179.45 177.28 1xg1 h ASP 56 N 0.06 0.98 -0.79 4.20 3.58 -0.36 -3.00 116.42 121.09 1xg1 h ASP 56 Ca 0.10 -0.35 0.01 0.00 0.42 0.00 0.00 57.03 57.22 1xg1 h ASP 56 Cb 0.14 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1xg1 h ASP 56 CO -0.18 1.13 0.52 -0.09 -2.88 0.00 0.00 179.24 177.73 1xg1 h ARG 57 N 0.85 1.02 -0.69 0.28 9.65 0.86 -1.63 114.38 124.72 1xg1 h ARG 57 Ca 0.12 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1xg1 h ARG 57 Cb 0.73 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1xg1 h ARG 57 CO 0.06 0.68 0.43 2.35 2.80 0.00 0.00 179.97 186.28 1xg1 h TRP 58 N 1.05 0.90 -0.33 2.20 -0.00 -0.91 0.62 115.95 119.48 1xg1 h TRP 58 Ca 0.29 0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.25 1xg1 h TRP 58 Cb -0.10 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.16 28.70 1xg1 h TRP 58 CO -0.00 0.60 -0.08 0.00 -0.00 0.00 0.00 178.44 178.96 1xg1 h ARG 59 N 0.94 0.00 -0.41 2.65 3.08 -1.29 -0.51 114.38 118.85 1xg1 h ARG 59 Ca 0.25 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1xg1 h ARG 59 Cb -0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1xg1 h ARG 59 CO -0.05 0.00 0.18 1.79 -1.07 0.00 0.00 179.97 180.83 1xg1 h THR 60 N 0.00 1.18 -0.59 2.04 1.35 -0.97 -1.67 112.91 114.25 1xg1 h THR 60 Ca 0.16 -0.54 0.05 0.00 -0.55 0.00 0.00 66.41 65.53 1xg1 h THR 60 Cb 0.24 0.79 -0.05 0.00 -1.73 0.00 0.00 68.15 67.40 1xg1 h THR 60 CO -0.33 0.20 0.31 0.24 -0.25 0.00 0.00 175.52 175.69 1xg1 h MET 61 N 0.51 0.56 0.00 4.72 2.86 -0.26 -0.89 114.93 122.44 1xg1 h MET 61 Ca 0.14 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1xg1 h MET 61 Cb 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1xg1 h MET 61 CO -0.02 0.37 -0.28 0.87 1.06 0.00 0.00 176.91 178.91 1xg1 h LYS 62 N 0.58 0.00 0.39 1.72 1.57 -0.93 0.50 116.57 120.39 1xg1 h LYS 62 Ca 0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xg1 h LYS 62 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1xg1 h LYS 62 CO -0.18 0.28 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.47 1xg1 h ARG 63 N 0.00 -0.81 0.10 3.15 2.43 -0.19 -3.01 114.38 116.05 1xg1 h ARG 63 Ca -0.00 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xg1 h ARG 63 Cb 0.51 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1xg1 h ARG 63 CO 0.04 -0.54 -0.05 -0.07 -1.51 0.00 0.00 179.97 177.84 1xg1 h LEU 64 N -0.84 -0.12 0.00 3.80 -0.00 -1.52 -3.47 115.31 113.17 1xg1 h LEU 64 Ca -0.03 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1xg1 h LEU 64 Cb 0.76 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 1xg1 h LEU 64 CO -0.09 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1xg1 n GLY 65 N -0.46 0.59 2.54 0.83 0.00 -0.93 -5.04 105.19 102.72 1xg1 n GLY 65 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1xg1 n GLY 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xg1 n MET 66 N 0.00 2.53 0.00 1.61 2.81 0.12 -4.99 117.12 119.21 1xg1 n MET 66 Ca 0.00 -2.53 0.00 0.00 -1.81 0.00 0.00 57.70 53.36 1xg1 n MET 66 Cb 0.00 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75