#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg1 s SER 2 N 0.00 7.23 0.00 1.61 1.04 -1.26 -5.06 113.70 117.26 1xg1 s SER 2 Ca 0.00 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1xg1 s SER 2 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1xg1 s SER 2 CO 0.00 0.04 0.00 1.41 0.98 0.00 0.00 173.24 175.67 1xg1 n HIS 3 N 2.68 0.00 -3.28 5.02 -0.00 -1.26 -4.74 115.22 113.64 1xg1 n HIS 3 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.46 1xg1 n HIS 3 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.50 1xg1 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1xg1 n MET 4 N 0.00 -4.04 -3.02 -0.41 2.81 -1.26 -4.93 117.12 106.28 1xg1 n MET 4 Ca 0.00 0.62 -0.37 0.00 -1.81 0.00 0.00 57.70 56.14 1xg1 n MET 4 Cb 0.00 -5.40 -0.06 0.00 -0.71 0.00 0.00 33.22 27.05 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1xg1 s GLU 5 N -5.95 4.41 0.51 0.03 1.03 -1.26 -4.96 118.70 112.52 1xg1 s GLU 5 Ca 0.38 1.03 0.23 0.00 0.03 0.00 0.00 54.97 56.65 1xg1 s GLU 5 Cb -0.19 -3.00 1.37 0.00 -0.80 0.00 0.00 34.13 31.51 1xg1 s GLU 5 CO 0.47 0.44 2.08 0.38 -1.33 0.00 0.00 175.26 177.31 1xg1 h ASP 6 N 3.70 0.00 0.00 0.83 2.03 -2.01 -2.84 116.42 118.14 1xg1 h ASP 6 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1xg1 h ASP 6 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1xg1 h ASP 6 CO 0.65 0.11 0.00 -0.24 -1.03 0.00 0.00 179.24 178.74 1xg1 n SER 7 N -3.93 4.80 0.16 4.15 2.88 -1.26 -3.97 113.62 116.44 1xg1 n SER 7 Ca -0.02 -2.27 0.12 0.00 -1.33 0.00 0.00 58.87 55.37 1xg1 n SER 7 Cb 0.21 -1.01 0.09 0.00 -0.75 0.00 0.00 64.21 62.75 1xg1 n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xg1 h THR 8 N 1.08 0.00 -0.40 2.46 1.03 -1.86 -3.42 112.91 111.80 1xg1 h THR 8 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 1xg1 h THR 8 Cb 0.90 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1xg1 h THR 8 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 175.86 1xg1 n THR 9 N -2.87 0.00 1.38 0.00 -2.24 -1.25 -4.94 114.28 104.36 1xg1 n THR 9 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1xg1 n THR 9 Cb 0.54 -0.55 0.46 0.00 -2.10 0.00 0.00 70.33 68.68 1xg1 n THR 9 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xg1 n ASN 10 N 0.00 1.27 -1.93 3.42 6.94 -1.26 -4.29 115.26 119.41 1xg1 n ASN 10 Ca 0.00 -1.21 -0.12 0.00 -0.02 0.00 0.00 54.58 53.23 1xg1 n ASN 10 Cb 0.00 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1xg1 n ILE 11 N -0.21 2.75 0.22 1.53 5.41 -1.26 -4.29 119.36 123.51 1xg1 n ILE 11 Ca 0.16 -1.50 0.11 0.00 1.00 0.00 0.00 62.75 62.52 1xg1 n ILE 11 Cb 0.35 -1.70 0.35 0.00 -0.71 0.00 0.00 39.64 37.93 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1xg1 h THR 12 N 1.59 0.33 -4.02 1.39 1.35 -1.82 -3.45 112.91 108.28 1xg1 h THR 12 Ca 0.19 -1.15 -0.53 0.00 -0.55 0.00 0.00 66.41 64.37 1xg1 h THR 12 Cb 1.16 1.89 0.10 0.00 -1.73 0.00 0.00 68.15 69.57 1xg1 h THR 12 CO 0.35 0.16 0.55 -0.54 -0.25 0.00 0.00 175.52 175.78 1xg1 s LYS 13 N -3.41 3.49 0.00 4.72 1.02 -1.26 -5.03 119.74 119.26 1xg1 s LYS 13 Ca 0.03 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1xg1 s LYS 13 Cb 0.08 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1xg1 s LYS 13 CO 0.64 -0.84 0.00 0.36 -0.92 0.00 0.00 175.35 174.60 1xg1 n LYS 14 N -0.71 2.16 0.22 1.68 2.85 -1.26 -5.02 118.16 118.09 1xg1 n LYS 14 Ca 0.09 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.41 1xg1 n LYS 14 Cb 0.46 0.00 0.52 0.00 -0.65 0.00 0.00 35.03 35.37 1xg1 n LYS 14 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 1xg1 h GLN 15 N 0.00 0.00 -6.78 -1.58 -0.00 -2.02 -3.42 115.11 101.31 1xg1 h GLN 15 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 1xg1 h GLN 15 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.51 1xg1 h GLN 15 CO 0.00 0.21 0.56 0.15 -0.00 0.00 0.00 178.83 179.74 1xg1 s LYS 16 N -4.44 4.51 0.02 0.06 -0.14 -1.26 -5.02 119.74 113.46 1xg1 s LYS 16 Ca -0.03 1.95 0.03 0.00 -1.36 0.00 0.00 55.97 56.56 1xg1 s LYS 16 Cb 0.15 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.09 1xg1 s LYS 16 CO 0.68 -0.01 -0.05 -1.58 -0.76 0.00 0.00 175.35 173.63 1xg1 s TRP 17 N -0.76 2.93 0.31 3.18 0.52 -1.26 -5.05 118.94 118.81 1xg1 s TRP 17 Ca 0.49 -0.02 -0.11 0.00 0.02 0.00 0.00 56.10 56.48 1xg1 s TRP 17 Cb -0.35 -1.60 -0.07 0.00 -1.15 0.00 0.00 33.47 30.30 1xg1 s TRP 17 CO 0.43 0.41 0.66 0.95 0.02 0.00 0.00 176.95 179.41 1xg1 s THR 18 N -1.06 4.84 0.34 2.01 -4.23 -1.26 -4.95 115.64 111.33 1xg1 s THR 18 Ca 0.19 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 1xg1 s THR 18 Cb -0.11 -3.66 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1xg1 s THR 18 CO 0.10 -0.25 1.91 1.62 -0.54 0.00 0.00 174.62 177.45 1xg1 h VAL 19 N 1.67 0.95 0.14 2.29 3.04 -1.99 -0.87 116.25 121.47 1xg1 h VAL 19 Ca -0.47 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1xg1 h VAL 19 Cb 1.18 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1xg1 h VAL 19 CO 0.66 0.14 -0.10 -0.08 -1.01 0.00 0.00 177.57 177.19 1xg1 h GLU 20 N 0.79 -0.23 -0.90 4.17 4.57 -1.99 0.19 114.58 121.18 1xg1 h GLU 20 Ca 0.39 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1xg1 h GLU 20 Cb 0.45 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 1xg1 h GLU 20 CO -0.16 -0.15 0.55 0.93 -1.18 0.00 0.00 179.01 179.00 1xg1 h GLU 21 N -0.24 1.22 -0.20 1.92 5.08 -1.81 -2.22 114.58 118.33 1xg1 h GLU 21 Ca -0.01 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1xg1 h GLU 21 Cb 0.20 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1xg1 h GLU 21 CO 0.00 0.85 -0.31 0.77 -1.00 0.00 0.00 179.01 179.32 1xg1 h SER 22 N 1.24 0.42 -0.47 1.42 0.02 -0.78 -2.73 113.55 112.67 1xg1 h SER 22 Ca 0.32 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1xg1 h SER 22 Cb -0.07 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1xg1 h SER 22 CO -0.06 0.72 0.18 -0.33 -1.14 0.00 0.00 176.83 176.20 1xg1 h GLU 23 N 0.36 0.76 -0.39 3.45 5.08 -0.01 -2.73 114.58 121.09 1xg1 h GLU 23 Ca 0.05 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1xg1 h GLU 23 Cb 0.73 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1xg1 h GLU 23 CO 0.06 0.64 0.03 -1.49 -1.00 0.00 0.00 179.01 177.25 1xg1 h TRP 24 N 0.75 0.72 -0.98 4.33 6.55 -1.28 -2.42 115.95 123.61 1xg1 h TRP 24 Ca 0.18 -0.11 0.03 0.00 0.95 0.00 0.00 58.89 59.94 1xg1 h TRP 24 Cb 0.19 -0.19 -0.06 0.00 -0.86 0.00 0.00 29.16 28.24 1xg1 h TRP 24 CO 0.01 0.73 0.64 -0.39 -1.05 0.00 0.00 178.44 178.38 1xg1 h VAL 25 N 0.50 1.18 -0.31 1.49 -1.51 -1.36 0.17 116.25 116.41 1xg1 h VAL 25 Ca 0.11 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 65.10 1xg1 h VAL 25 Cb 0.42 -0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 1xg1 h VAL 25 CO 0.01 0.23 -0.02 0.50 -1.23 0.00 0.00 177.57 177.07 1xg1 h LYS 26 N 1.25 0.56 -0.41 5.19 3.64 -1.41 -1.48 116.57 123.92 1xg1 h LYS 26 Ca 0.39 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1xg1 h LYS 26 Cb -0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1xg1 h LYS 26 CO -0.12 0.71 0.10 0.00 -2.27 0.00 0.00 179.45 177.86 1xg1 h ALA 27 N 0.83 0.54 -0.79 5.00 0.00 -1.00 -2.85 119.26 120.99 1xg1 h ALA 27 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xg1 h ALA 27 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1xg1 h ALA 27 CO 0.02 0.22 0.43 0.78 0.00 0.00 0.00 179.25 180.70 1xg1 h GLY 28 N 0.52 1.18 1.01 0.00 0.00 -0.61 -0.44 103.07 104.73 1xg1 h GLY 28 Ca 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1xg1 h GLY 28 CO 0.00 0.51 0.57 -2.08 0.00 0.00 0.00 176.54 175.54 1xg1 h VAL 29 N 1.11 1.23 -0.09 4.60 2.07 -1.08 0.70 116.25 124.78 1xg1 h VAL 29 Ca 0.28 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 1xg1 h VAL 29 Cb 0.03 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1xg1 h VAL 29 CO -0.04 0.22 -0.87 -0.61 0.02 0.00 0.00 177.57 176.29 1xg1 h GLN 30 N 1.18 0.74 0.10 1.57 4.15 -1.22 -1.20 115.11 120.43 1xg1 h GLN 30 Ca 0.32 -0.68 -0.14 0.00 0.77 0.00 0.00 58.65 58.92 1xg1 h GLN 30 Cb -0.13 0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.74 1xg1 h GLN 30 CO -0.07 1.28 -0.64 -0.22 -1.93 0.00 0.00 178.83 177.25 1xg1 h LYS 31 N 0.45 0.21 0.08 1.69 3.64 -0.86 -3.39 116.57 118.39 1xg1 h LYS 31 Ca -0.08 -0.35 -0.35 0.00 -1.27 0.00 0.00 60.65 58.59 1xg1 h LYS 31 Cb 1.51 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.43 1xg1 h LYS 31 CO 0.18 1.17 -2.01 0.66 -2.27 0.00 0.00 179.45 177.17 1xg1 n TYR 32 N -4.25 1.02 0.00 1.91 4.02 0.24 -5.07 117.16 115.03 1xg1 n TYR 32 Ca -0.14 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1xg1 n TYR 32 Cb 0.73 -1.14 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 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 1.93 2.27 3.60 2.72 0.00 -0.46 -4.84 105.19 110.41 1xg1 n GLY 33 Ca -0.31 -1.46 -0.51 0.00 0.00 0.00 0.00 46.02 43.74 1xg1 n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xg1 n GLU 34 N 2.04 1.25 0.00 1.61 1.02 -1.21 -2.36 120.64 122.99 1xg1 n GLU 34 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1xg1 n GLU 34 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xg1 n GLY 35 N 2.56 2.86 2.11 0.62 0.00 -1.26 -4.96 105.19 107.13 1xg1 n GLY 35 Ca 0.18 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 0.17 6.07 -0.13 1.61 3.02 -1.00 -4.56 115.26 120.45 1xg1 n ASN 36 Ca 0.00 -2.58 -0.09 0.00 -0.03 0.00 0.00 54.58 51.88 1xg1 n ASN 36 Cb 0.00 -1.43 -0.01 0.00 -0.61 0.00 0.00 39.78 37.73 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 3.41 0.60 -0.68 3.10 4.06 -1.89 -2.20 115.95 122.34 1xg1 h TRP 37 Ca 0.35 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 61.31 1xg1 h TRP 37 Cb 1.19 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 29.12 1xg1 h TRP 37 CO 1.78 0.56 0.37 0.00 -3.56 0.00 0.00 178.44 177.58 1xg1 h ALA 38 N 0.98 0.91 -0.56 1.49 0.00 -1.86 0.18 119.26 120.41 1xg1 h ALA 38 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1xg1 h ALA 38 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xg1 h ALA 38 CO -0.01 0.03 0.11 0.00 0.00 0.00 0.00 179.25 179.38 1xg1 h ALA 39 N 1.37 1.15 -0.10 0.00 0.00 -1.89 -1.01 119.26 118.77 1xg1 h ALA 39 Ca 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xg1 h ALA 39 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xg1 h ALA 39 CO -0.20 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.41 1xg1 h ILE 40 N 0.83 1.29 -0.46 0.00 2.04 -0.57 -1.63 117.51 119.01 1xg1 h ILE 40 Ca 0.18 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1xg1 h ILE 40 Cb 0.34 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1xg1 h ILE 40 CO 0.00 0.27 0.22 0.77 0.00 0.00 0.00 178.15 179.41 1xg1 h SER 41 N -0.14 0.57 0.10 1.72 4.64 -0.52 0.21 113.55 120.13 1xg1 h SER 41 Ca 0.02 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1xg1 h SER 41 Cb 0.43 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1xg1 h SER 41 CO 0.01 0.49 -0.05 0.50 -0.87 0.00 0.00 176.83 176.91 1xg1 h LYS 42 N 0.64 -0.13 -0.03 4.77 1.63 -1.09 -3.36 116.57 119.01 1xg1 h LYS 42 Ca 0.16 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 1xg1 h LYS 42 Cb 0.07 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1xg1 h LYS 42 CO -0.02 0.34 -0.49 -0.91 -3.45 0.00 0.00 179.45 174.93 1xg1 h ASN 43 N -0.69 0.47 -4.19 4.20 2.35 -1.22 -3.46 115.58 113.05 1xg1 h ASN 43 Ca -0.01 -0.73 -0.50 0.00 -0.55 0.00 0.00 56.30 54.51 1xg1 h ASN 43 Cb 0.54 -0.14 0.08 0.00 0.05 0.00 0.00 38.32 38.85 1xg1 h ASN 43 CO 0.02 1.13 0.38 -0.31 -1.65 0.00 0.00 177.43 177.01 1xg1 s TYR 44 N -3.33 2.78 0.00 1.19 1.51 0.73 -4.87 117.35 115.36 1xg1 s TYR 44 Ca -0.14 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1xg1 s TYR 44 Cb 0.03 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1xg1 s TYR 44 CO 0.80 -1.43 0.62 -0.35 -1.11 0.00 0.00 175.55 174.08 1xg1 n PRO 45 N -2.16 0.34 -2.54 -1.71 -0.04 -1.26 -4.77 135.00 122.86 1xg1 n PRO 45 Ca 0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 1xg1 n PRO 45 Cb 0.52 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.18 3.60 -0.02 0.54 0.08 -1.26 -5.03 117.98 117.06 1xg1 s PHE 46 Ca 0.00 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.64 1xg1 s PHE 46 Cb 0.00 -3.26 0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1xg1 s PHE 46 CO 0.00 -0.59 -0.06 0.54 -0.10 0.00 0.00 175.22 175.01 1xg1 s VAL 47 N 0.15 0.57 0.00 -0.44 0.11 -1.26 -4.79 120.40 114.74 1xg1 s VAL 47 Ca 0.51 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1xg1 s VAL 47 Cb -0.28 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1xg1 s VAL 47 CO 0.33 0.19 0.00 0.59 -3.33 0.00 0.00 175.10 172.88 1xg1 n ASN 48 N 3.42 0.00 -4.71 3.54 3.02 -1.26 -4.93 115.26 114.34 1xg1 n ASN 48 Ca -0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 1xg1 n ASN 48 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 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 4.32 0.57 3.52 3.00 -1.26 -5.03 118.95 124.07 1xg1 s ARG 49 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 55.73 57.76 1xg1 s ARG 49 Cb 0.00 -3.33 0.04 0.00 0.00 0.00 0.00 34.95 31.66 1xg1 s ARG 49 CO 0.00 -0.45 0.80 0.95 0.00 0.00 0.00 175.30 176.60 1xg1 s THR 50 N 1.38 2.68 0.27 0.02 -4.23 -1.26 -4.96 115.64 109.54 1xg1 s THR 50 Ca 0.64 -0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1xg1 s THR 50 Cb -0.35 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.59 1xg1 s THR 50 CO 0.29 -0.02 1.78 0.00 -0.54 0.00 0.00 174.62 176.13 1xg1 h ALA 51 N -0.01 1.14 -0.52 3.99 0.00 -1.93 -1.79 119.26 120.14 1xg1 h ALA 51 Ca -0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1xg1 h ALA 51 Cb 1.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1xg1 h ALA 51 CO 0.53 0.56 0.18 0.28 0.00 0.00 0.00 179.25 180.80 1xg1 h VAL 52 N 0.73 1.20 -0.33 0.00 2.07 -1.94 0.56 116.25 118.55 1xg1 h VAL 52 Ca 0.15 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1xg1 h VAL 52 Cb 0.41 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1xg1 h VAL 52 CO 0.02 0.26 0.07 0.24 0.02 0.00 0.00 177.57 178.17 1xg1 h MET 53 N 0.75 0.53 -0.41 1.57 2.07 -1.75 0.80 114.93 118.49 1xg1 h MET 53 Ca 0.18 -0.13 -0.04 0.00 -2.07 0.00 0.00 59.70 57.63 1xg1 h MET 53 Cb 0.19 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 1xg1 h MET 53 CO -0.01 0.60 0.09 0.82 1.07 0.00 0.00 176.91 179.48 1xg1 h ILE 54 N 0.37 1.23 -0.22 -1.22 2.04 -0.64 0.53 117.51 119.61 1xg1 h ILE 54 Ca 0.10 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1xg1 h ILE 54 Cb 0.31 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1xg1 h ILE 54 CO 0.00 0.28 -0.11 0.50 0.00 0.00 0.00 178.15 178.83 1xg1 h LYS 55 N 0.53 -0.08 -0.30 2.37 3.64 0.33 0.27 116.57 123.33 1xg1 h LYS 55 Ca 0.13 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 1xg1 h LYS 55 Cb 0.33 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1xg1 h LYS 55 CO 0.00 -0.05 -0.51 0.22 -2.27 0.00 0.00 179.45 176.84 1xg1 h ASP 56 N -0.08 0.94 -0.61 4.20 3.58 -0.71 -3.07 116.42 120.67 1xg1 h ASP 56 Ca 0.12 -0.49 0.03 0.00 0.42 0.00 0.00 57.03 57.11 1xg1 h ASP 56 Cb 0.26 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1xg1 h ASP 56 CO -0.27 1.28 0.41 -0.09 -2.88 0.00 0.00 179.24 177.68 1xg1 h ARG 57 N 0.66 0.71 -0.20 0.28 9.65 0.76 -1.42 114.38 124.81 1xg1 h ARG 57 Ca 0.02 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1xg1 h ARG 57 Cb 1.11 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1xg1 h ARG 57 CO 0.11 0.47 0.12 2.35 2.80 0.00 0.00 179.97 185.82 1xg1 h TRP 58 N 0.73 0.22 -0.42 2.20 -0.00 -0.38 0.30 115.95 118.59 1xg1 h TRP 58 Ca 0.25 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.19 1xg1 h TRP 58 Cb 0.07 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 1xg1 h TRP 58 CO -0.00 0.13 0.17 -0.09 -0.00 0.00 0.00 178.44 178.65 1xg1 h ARG 59 N 0.25 0.34 -0.60 2.65 2.43 -1.31 -0.56 114.38 117.57 1xg1 h ARG 59 Ca 0.08 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1xg1 h ARG 59 Cb -0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1xg1 h ARG 59 CO -0.04 0.23 0.15 1.79 -1.51 0.00 0.00 179.97 180.59 1xg1 h THR 60 N 0.35 1.24 -0.70 0.20 1.35 -0.79 0.22 112.91 114.77 1xg1 h THR 60 Ca 0.19 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1xg1 h THR 60 Cb 0.16 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.17 1xg1 h THR 60 CO -0.18 0.33 0.36 0.24 -0.25 0.00 0.00 175.52 176.02 1xg1 h MET 61 N 0.89 1.00 -0.65 4.72 2.86 0.34 -0.23 114.93 123.86 1xg1 h MET 61 Ca 0.19 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1xg1 h MET 61 Cb 0.32 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1xg1 h MET 61 CO -0.00 0.77 0.10 0.87 1.06 0.00 0.00 176.91 179.71 1xg1 h LYS 62 N 0.97 1.07 -0.58 1.72 1.57 -0.68 0.19 116.57 120.84 1xg1 h LYS 62 Ca 0.24 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1xg1 h LYS 62 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1xg1 h LYS 62 CO -0.04 0.99 0.38 -0.09 -0.57 0.00 0.00 179.45 180.13 1xg1 h ARG 63 N 0.99 0.76 0.00 3.15 2.43 -0.27 -0.75 114.38 120.68 1xg1 h ARG 63 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1xg1 h ARG 63 Cb 0.44 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1xg1 h ARG 63 CO 0.01 0.50 0.00 -0.07 -1.51 0.00 0.00 179.97 178.90 1xg1 h LEU 64 N 0.78 0.00 -0.15 3.80 3.38 -0.79 -3.46 115.31 118.87 1xg1 h LEU 64 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xg1 h LEU 64 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xg1 h LEU 64 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1xg1 n GLY 65 N 0.04 0.71 2.71 0.83 0.00 -0.29 -4.97 105.19 104.22 1xg1 n GLY 65 Ca 0.01 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.89 2.69 0.00 1.61 2.81 -0.06 -5.01 117.12 118.27 1xg1 n MET 66 Ca 0.00 -3.34 0.00 0.00 -1.81 0.00 0.00 57.70 52.55 1xg1 n MET 66 Cb 0.41 -2.25 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75