#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 0.00 -1.41 1.61 7.64 -1.26 -3.54 113.62 116.66 1xg1 n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xg1 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xg1 n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1xg1 n HIS 3 N 0.00 0.01 -3.71 1.43 -0.00 -1.26 -4.69 115.22 107.01 1xg1 n HIS 3 Ca 0.00 -0.91 -0.11 0.00 0.46 0.00 0.00 57.72 57.15 1xg1 n HIS 3 Cb 0.00 -0.46 -0.11 0.00 -0.12 0.00 0.00 29.99 29.30 1xg1 n HIS 3 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1xg1 s MET 4 N -0.02 0.39 -0.03 1.57 -1.94 -1.23 -5.03 119.30 113.01 1xg1 s MET 4 Ca 0.00 0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 54.71 1xg1 s MET 4 Cb 0.00 0.01 0.02 0.00 2.01 0.00 0.00 34.83 36.88 1xg1 s MET 4 CO 0.00 -0.14 1.86 -1.91 -0.01 0.00 0.00 175.02 174.82 1xg1 n GLU 5 N 4.00 1.07 0.11 2.03 2.13 -1.26 -3.95 120.64 124.77 1xg1 n GLU 5 Ca -0.22 -0.14 0.13 0.00 0.66 0.00 0.00 57.16 57.59 1xg1 n GLU 5 Cb 0.55 -1.06 0.29 0.00 0.27 0.00 0.00 31.44 31.50 1xg1 n GLU 5 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1xg1 h ASP 6 N 0.89 0.00 -2.30 4.31 3.04 -1.96 -3.47 116.42 116.93 1xg1 h ASP 6 Ca 0.03 -0.06 -0.36 0.00 -3.24 0.00 0.00 57.03 53.40 1xg1 h ASP 6 Cb 1.01 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.22 1xg1 h ASP 6 CO 0.07 0.03 -0.40 -1.54 -2.04 0.00 0.00 179.24 175.35 1xg1 n SER 7 N -2.36 -5.00 0.01 4.15 3.41 -1.25 -4.86 113.62 107.70 1xg1 n SER 7 Ca 0.04 0.23 -0.18 0.00 -0.26 0.00 0.00 58.87 58.71 1xg1 n SER 7 Cb 0.45 -4.32 -0.11 0.00 -0.26 0.00 0.00 64.21 59.97 1xg1 n SER 7 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xg1 h THR 8 N 0.00 1.40 -3.70 6.66 1.35 -1.91 -3.44 112.91 113.26 1xg1 h THR 8 Ca -0.40 -2.10 -0.52 0.00 -0.55 0.00 0.00 66.41 62.84 1xg1 h THR 8 Cb 1.25 2.54 0.04 0.00 -1.73 0.00 0.00 68.15 70.25 1xg1 h THR 8 CO 0.52 0.62 0.60 0.42 -0.25 0.00 0.00 175.52 177.44 1xg1 s THR 9 N -3.25 3.05 0.12 6.82 -4.23 -1.26 -4.96 115.64 111.94 1xg1 s THR 9 Ca -0.12 0.99 -0.31 0.00 -1.18 0.00 0.00 61.69 61.06 1xg1 s THR 9 Cb 0.04 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 1xg1 s THR 9 CO 0.84 0.21 1.45 0.21 -0.54 0.00 0.00 174.62 176.79 1xg1 s ASN 10 N -0.31 6.75 -0.11 3.99 2.47 -1.26 -4.90 114.94 121.57 1xg1 s ASN 10 Ca 0.50 2.40 0.25 0.00 0.42 0.00 0.00 52.86 56.43 1xg1 s ASN 10 Cb -0.37 -2.59 0.46 0.00 -1.45 0.00 0.00 41.25 37.31 1xg1 s ASN 10 CO 0.45 -0.71 1.15 -0.38 -3.72 0.00 0.00 177.10 173.89 1xg1 n ILE 11 N 4.00 0.54 -0.03 -5.21 5.41 -1.26 -4.85 119.36 117.96 1xg1 n ILE 11 Ca 0.12 -1.80 -0.04 0.00 1.00 0.00 0.00 62.75 62.03 1xg1 n ILE 11 Cb 0.41 1.13 0.18 0.00 -0.71 0.00 0.00 39.64 40.65 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1xg1 h THR 12 N 6.39 1.26 0.00 1.39 2.02 -2.03 -1.48 112.91 120.45 1xg1 h THR 12 Ca -0.19 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1xg1 h THR 12 Cb 1.63 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1xg1 h THR 12 CO 0.13 0.39 0.00 2.29 0.37 0.00 0.00 175.52 178.70 1xg1 n LYS 13 N -4.15 0.06 -0.31 6.66 2.85 -1.26 -4.99 118.16 117.01 1xg1 n LYS 13 Ca 0.00 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 1xg1 n LYS 13 Cb 0.38 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1xg1 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1xg1 n LYS 14 N -1.45 -0.85 -1.66 -1.58 4.81 -0.56 -4.85 118.16 112.02 1xg1 n LYS 14 Ca 0.05 0.65 -0.53 0.00 -0.87 0.00 0.00 58.31 57.62 1xg1 n LYS 14 Cb 0.20 -0.77 -0.06 0.00 0.02 0.00 0.00 35.03 34.42 1xg1 n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xg1 n GLN 15 N -1.39 1.43 -3.92 1.64 -0.00 -1.26 -4.96 117.38 108.91 1xg1 n GLN 15 Ca 0.00 0.52 -0.30 0.00 -0.00 0.00 0.00 57.00 57.22 1xg1 n GLN 15 Cb 0.05 -2.22 -0.04 0.00 -0.00 0.00 0.00 30.24 28.03 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1xg1 s LYS 16 N 2.11 3.44 -0.06 2.61 -0.14 -1.26 -5.11 119.74 121.33 1xg1 s LYS 16 Ca 0.90 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 55.09 1xg1 s LYS 16 Cb -0.92 -3.03 -0.00 0.00 -1.68 0.00 0.00 37.83 32.20 1xg1 s LYS 16 CO 0.53 0.60 -0.19 -1.58 -0.76 0.00 0.00 175.35 173.95 1xg1 s TRP 17 N -1.53 1.94 0.56 3.18 0.52 -1.26 -5.13 118.94 117.22 1xg1 s TRP 17 Ca 0.35 -0.61 -0.15 0.00 0.02 0.00 0.00 56.10 55.71 1xg1 s TRP 17 Cb -0.13 -1.31 -0.06 0.00 -1.15 0.00 0.00 33.47 30.82 1xg1 s TRP 17 CO 0.28 -0.22 1.01 0.95 0.02 0.00 0.00 176.95 178.99 1xg1 s THR 18 N 0.09 4.51 0.45 2.01 -4.23 -1.26 -4.91 115.64 112.30 1xg1 s THR 18 Ca -0.07 1.06 0.12 0.00 -1.18 0.00 0.00 61.69 61.62 1xg1 s THR 18 Cb -0.13 -3.73 0.23 0.00 1.34 0.00 0.00 72.50 70.21 1xg1 s THR 18 CO 0.03 -0.82 2.05 1.62 -0.54 0.00 0.00 174.62 176.96 1xg1 h VAL 19 N 0.43 1.09 0.16 2.29 3.04 -2.00 -1.12 116.25 120.13 1xg1 h VAL 19 Ca -0.46 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 1xg1 h VAL 19 Cb 1.19 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1xg1 h VAL 19 CO 0.61 0.11 -0.09 -0.08 -1.01 0.00 0.00 177.57 177.11 1xg1 h GLU 20 N 0.19 -0.23 -0.60 4.17 4.57 -1.99 0.18 114.58 120.87 1xg1 h GLU 20 Ca 0.05 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1xg1 h GLU 20 Cb 0.12 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1xg1 h GLU 20 CO 0.00 -0.15 0.13 0.93 -1.18 0.00 0.00 179.01 178.74 1xg1 h GLU 21 N -0.24 0.95 -0.57 1.92 5.08 -1.82 -2.70 114.58 117.20 1xg1 h GLU 21 Ca -0.02 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1xg1 h GLU 21 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1xg1 h GLU 21 CO 0.03 0.86 0.11 0.77 -1.00 0.00 0.00 179.01 179.78 1xg1 h SER 22 N 0.90 0.88 -0.13 1.42 0.02 -0.89 -2.60 113.55 113.14 1xg1 h SER 22 Ca 0.19 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1xg1 h SER 22 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xg1 h SER 22 CO 0.00 0.90 -0.01 -0.33 -1.14 0.00 0.00 176.83 176.25 1xg1 h GLU 23 N 0.82 0.35 -0.24 3.45 4.39 -0.41 -2.29 114.58 120.64 1xg1 h GLU 23 Ca 0.17 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1xg1 h GLU 23 Cb 0.38 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1xg1 h GLU 23 CO 0.01 0.39 0.01 -1.49 -1.16 0.00 0.00 179.01 176.77 1xg1 h TRP 24 N 0.34 0.45 -0.89 4.33 6.55 -1.16 0.80 115.95 126.37 1xg1 h TRP 24 Ca 0.08 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1xg1 h TRP 24 Cb 0.25 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.39 1xg1 h TRP 24 CO 0.01 0.57 0.53 -0.39 -1.05 0.00 0.00 178.44 178.10 1xg1 h VAL 25 N 0.20 1.25 -0.15 1.49 -1.51 -1.20 0.31 116.25 116.64 1xg1 h VAL 25 Ca 0.07 -0.54 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1xg1 h VAL 25 Cb 0.38 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 1xg1 h VAL 25 CO 0.01 0.26 -0.03 0.50 -1.23 0.00 0.00 177.57 177.08 1xg1 h LYS 26 N 1.22 0.28 -0.59 5.19 3.64 -1.24 -1.58 116.57 123.49 1xg1 h LYS 26 Ca 0.32 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1xg1 h LYS 26 Cb -0.04 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1xg1 h LYS 26 CO -0.06 0.56 0.21 0.00 -2.27 0.00 0.00 179.45 177.89 1xg1 h ALA 27 N 0.72 0.77 -0.56 5.00 0.00 -0.51 -2.52 119.26 122.16 1xg1 h ALA 27 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xg1 h ALA 27 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xg1 h ALA 27 CO 0.01 0.41 0.23 0.78 0.00 0.00 0.00 179.25 180.69 1xg1 h GLY 28 N 0.83 0.86 1.61 0.00 0.00 -0.32 0.13 103.07 106.17 1xg1 h GLY 28 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1xg1 h GLY 28 CO -0.01 0.40 -0.14 -2.08 0.00 0.00 0.00 176.54 174.71 1xg1 h VAL 29 N 0.79 1.23 -0.01 4.60 2.07 -0.93 0.82 116.25 124.83 1xg1 h VAL 29 Ca 0.19 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1xg1 h VAL 29 Cb 0.14 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1xg1 h VAL 29 CO -0.02 0.33 -0.19 -0.61 0.02 0.00 0.00 177.57 177.10 1xg1 h GLN 30 N 0.44 0.14 0.05 1.57 4.15 -0.93 -2.21 115.11 118.31 1xg1 h GLN 30 Ca 0.08 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1xg1 h GLN 30 Cb 0.51 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.24 1xg1 h GLN 30 CO 0.03 0.88 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.32 1xg1 h LYS 31 N -0.54 0.10 0.07 1.69 3.64 -0.68 -3.40 116.57 117.45 1xg1 h LYS 31 Ca -0.02 -0.17 -0.32 0.00 -1.27 0.00 0.00 60.65 58.87 1xg1 h LYS 31 Cb 0.94 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1xg1 h LYS 31 CO 0.04 1.08 -1.77 0.66 -2.27 0.00 0.00 179.45 177.19 1xg1 n TYR 32 N -4.45 1.09 0.00 1.91 4.02 0.27 -5.07 117.16 114.93 1xg1 n TYR 32 Ca -0.11 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1xg1 n TYR 32 Cb 0.59 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 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 1.77 2.53 3.71 2.72 0.00 -0.03 -4.91 105.19 111.00 1xg1 n GLY 33 Ca -0.33 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1xg1 n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xg1 n GLU 34 N 1.80 2.26 0.00 1.61 0.28 -1.23 -2.82 120.64 122.54 1xg1 n GLU 34 Ca 0.00 0.79 0.00 0.00 -0.16 0.00 0.00 57.16 57.79 1xg1 n GLU 34 Cb 0.00 -2.42 0.00 0.00 1.43 0.00 0.00 31.44 30.45 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xg1 n GLY 35 N 0.93 2.60 2.23 -1.84 0.00 -1.26 -4.94 105.19 102.91 1xg1 n GLY 35 Ca 0.05 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 0.07 5.90 -0.27 1.61 3.02 -1.13 -4.57 115.26 119.89 1xg1 n ASN 36 Ca 0.00 -2.86 -0.01 0.00 -0.03 0.00 0.00 54.58 51.68 1xg1 n ASN 36 Cb 0.00 -1.31 0.20 0.00 -0.61 0.00 0.00 39.78 38.06 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 2.89 1.05 -0.46 3.10 4.06 -1.89 -1.08 115.95 123.61 1xg1 h TRP 37 Ca 0.29 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.27 1xg1 h TRP 37 Cb 1.09 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.87 1xg1 h TRP 37 CO 1.55 0.67 0.28 0.00 -3.56 0.00 0.00 178.44 177.38 1xg1 h ALA 38 N 1.47 0.59 -0.41 1.49 0.00 -1.87 0.14 119.26 120.67 1xg1 h ALA 38 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xg1 h ALA 38 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xg1 h ALA 38 CO -0.06 -0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.29 1xg1 h ALA 39 N 1.19 0.53 -0.55 0.00 0.00 -1.79 -1.09 119.26 117.55 1xg1 h ALA 39 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xg1 h ALA 39 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xg1 h ALA 39 CO -0.07 0.18 0.31 0.82 0.00 0.00 0.00 179.25 180.50 1xg1 h ILE 40 N 0.51 1.18 -0.55 0.00 2.04 -0.80 -1.21 117.51 118.67 1xg1 h ILE 40 Ca 0.13 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1xg1 h ILE 40 Cb 0.27 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1xg1 h ILE 40 CO -0.00 0.19 0.07 -1.28 0.00 0.00 0.00 178.15 177.13 1xg1 h SER 41 N 0.73 0.83 -0.05 1.72 0.87 -0.57 0.29 113.55 117.37 1xg1 h SER 41 Ca 0.19 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1xg1 h SER 41 Cb 0.02 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1xg1 h SER 41 CO -0.03 0.85 0.01 0.50 -0.53 0.00 0.00 176.83 177.63 1xg1 h LYS 42 N 0.83 0.09 0.03 2.24 3.64 -0.76 -3.34 116.57 119.29 1xg1 h LYS 42 Ca 0.17 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1xg1 h LYS 42 Cb 0.39 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1xg1 h LYS 42 CO 0.01 0.30 -0.19 -0.91 -2.27 0.00 0.00 179.45 176.39 1xg1 h ASN 43 N -0.14 0.12 -3.84 4.20 2.35 -1.16 -3.46 115.58 113.65 1xg1 h ASN 43 Ca 0.02 -0.94 -0.50 0.00 -0.55 0.00 0.00 56.30 54.33 1xg1 h ASN 43 Cb 0.26 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1xg1 h ASN 43 CO 0.00 1.05 0.44 -0.31 -1.65 0.00 0.00 177.43 176.96 1xg1 s TYR 44 N -2.47 3.55 0.00 1.19 1.51 1.00 -4.90 117.35 117.23 1xg1 s TYR 44 Ca -0.17 1.71 -0.02 0.00 -1.01 0.00 0.00 57.07 57.58 1xg1 s TYR 44 Cb -0.02 -3.20 -0.08 0.00 -0.11 0.00 0.00 41.96 38.55 1xg1 s TYR 44 CO 0.72 -0.43 1.41 -0.35 -1.11 0.00 0.00 175.55 175.79 1xg1 n PRO 45 N 0.91 0.60 -2.21 -1.71 -0.04 -1.26 -4.69 135.00 126.60 1xg1 n PRO 45 Ca 0.00 -0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 62.75 1xg1 n PRO 45 Cb 0.46 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.25 2.15 -0.20 0.54 0.40 -1.26 -4.96 117.98 116.90 1xg1 s PHE 46 Ca 0.19 0.65 -0.25 0.00 -0.60 0.00 0.00 56.93 56.92 1xg1 s PHE 46 Cb 0.09 -4.24 -0.01 0.00 0.51 0.00 0.00 43.02 39.37 1xg1 s PHE 46 CO 0.00 -2.38 0.82 0.54 0.70 0.00 0.00 175.22 174.90 1xg1 s VAL 47 N 6.04 4.87 0.00 -0.44 0.11 -1.26 -4.13 120.40 125.59 1xg1 s VAL 47 Ca 0.69 1.59 0.00 0.00 -2.93 0.00 0.00 61.98 61.32 1xg1 s VAL 47 Cb -0.17 -4.12 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1xg1 s VAL 47 CO 0.33 -0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.68 1xg1 n ASN 48 N 5.52 0.00 -4.71 3.54 5.03 -1.26 -4.92 115.26 118.47 1xg1 n ASN 48 Ca 0.05 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.08 1xg1 n ASN 48 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.21 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1xg1 s ARG 49 N 0.00 4.18 0.67 3.52 3.00 -1.26 -4.75 118.95 124.31 1xg1 s ARG 49 Ca 0.00 2.44 0.01 0.00 0.00 0.00 0.00 55.73 58.18 1xg1 s ARG 49 Cb 0.00 -3.33 0.11 0.00 0.00 0.00 0.00 34.95 31.72 1xg1 s ARG 49 CO 0.00 -0.71 0.93 0.95 0.00 0.00 0.00 175.30 176.47 1xg1 s THR 50 N 1.82 2.23 0.23 0.02 -4.23 -1.26 -4.86 115.64 109.58 1xg1 s THR 50 Ca 0.74 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 60.53 1xg1 s THR 50 Cb -0.44 -2.56 0.11 0.00 1.34 0.00 0.00 72.50 70.95 1xg1 s THR 50 CO 0.32 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.14 1xg1 h ALA 51 N -0.33 1.02 -0.69 3.99 0.00 -1.94 -1.93 119.26 119.39 1xg1 h ALA 51 Ca -0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1xg1 h ALA 51 Cb 1.27 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xg1 h ALA 51 CO 0.42 0.62 0.23 0.28 0.00 0.00 0.00 179.25 180.81 1xg1 h VAL 52 N 0.92 1.25 -0.52 0.00 2.07 -1.94 0.27 116.25 118.29 1xg1 h VAL 52 Ca 0.18 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1xg1 h VAL 52 Cb 0.42 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1xg1 h VAL 52 CO 0.01 0.33 0.33 0.24 0.02 0.00 0.00 177.57 178.50 1xg1 h MET 53 N 1.01 0.64 -0.23 1.57 2.07 -1.80 0.19 114.93 118.39 1xg1 h MET 53 Ca 0.23 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.79 1xg1 h MET 53 Cb 0.26 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 1xg1 h MET 53 CO -0.01 0.43 0.03 0.82 1.07 0.00 0.00 176.91 179.24 1xg1 h ILE 54 N 0.66 1.24 -0.21 -1.22 2.04 -0.72 0.24 117.51 119.54 1xg1 h ILE 54 Ca 0.20 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.31 1xg1 h ILE 54 Cb -0.03 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1xg1 h ILE 54 CO -0.07 0.25 -0.08 0.50 0.00 0.00 0.00 178.15 178.75 1xg1 h LYS 55 N 0.18 -0.04 -0.58 2.37 3.64 -0.05 0.13 116.57 122.22 1xg1 h LYS 55 Ca 0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1xg1 h LYS 55 Cb 0.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xg1 h LYS 55 CO 0.01 -0.03 -0.03 0.22 -2.27 0.00 0.00 179.45 177.35 1xg1 h ASP 56 N -0.05 1.02 -0.85 4.20 3.58 -0.56 -2.92 116.42 120.84 1xg1 h ASP 56 Ca 0.11 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.27 1xg1 h ASP 56 Cb 0.21 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1xg1 h ASP 56 CO -0.25 1.08 0.56 -0.09 -2.88 0.00 0.00 179.24 177.67 1xg1 h ARG 57 N 0.94 1.12 -0.42 0.28 9.65 0.28 -0.62 114.38 125.61 1xg1 h ARG 57 Ca 0.16 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1xg1 h ARG 57 Cb 0.58 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1xg1 h ARG 57 CO 0.03 0.74 0.24 2.35 2.80 0.00 0.00 179.97 186.14 1xg1 h TRP 58 N 1.15 0.56 -0.61 2.20 -0.00 -0.64 0.04 115.95 118.66 1xg1 h TRP 58 Ca 0.31 -0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.23 1xg1 h TRP 58 Cb -0.13 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 28.80 1xg1 h TRP 58 CO -0.01 0.41 0.35 0.00 -0.00 0.00 0.00 178.44 179.19 1xg1 h ARG 59 N 0.55 0.66 -0.33 2.65 3.08 -1.24 -1.18 114.38 118.57 1xg1 h ARG 59 Ca 0.15 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1xg1 h ARG 59 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1xg1 h ARG 59 CO -0.03 0.44 0.11 1.79 -1.07 0.00 0.00 179.97 181.21 1xg1 h THR 60 N 0.68 1.20 -0.86 2.04 1.35 -0.63 -1.38 112.91 115.31 1xg1 h THR 60 Ca 0.26 -0.65 0.04 0.00 -0.55 0.00 0.00 66.41 65.51 1xg1 h THR 60 Cb 0.09 1.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1xg1 h THR 60 CO -0.14 0.22 0.55 0.24 -0.25 0.00 0.00 175.52 176.15 1xg1 h MET 61 N 0.39 1.02 -0.59 4.72 2.86 -0.58 0.10 114.93 122.84 1xg1 h MET 61 Ca 0.11 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1xg1 h MET 61 Cb 0.24 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1xg1 h MET 61 CO -0.00 0.68 0.02 0.87 1.06 0.00 0.00 176.91 179.53 1xg1 h LYS 62 N 1.05 1.03 -0.23 1.72 1.57 -1.04 0.30 116.57 120.97 1xg1 h LYS 62 Ca 0.35 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1xg1 h LYS 62 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xg1 h LYS 62 CO -0.13 1.01 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.66 1xg1 h ARG 63 N 0.93 0.42 -0.03 3.15 2.43 -0.52 -2.88 114.38 117.88 1xg1 h ARG 63 Ca 0.17 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1xg1 h ARG 63 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1xg1 h ARG 63 CO 0.03 0.62 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.77 1xg1 h LEU 64 N 0.18 0.05 -0.09 3.80 3.38 -0.75 -3.47 115.31 118.41 1xg1 h LEU 64 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xg1 h LEU 64 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xg1 h LEU 64 CO 0.01 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1xg1 n GLY 65 N -0.73 1.34 0.12 0.83 0.00 -0.20 -5.02 105.19 101.54 1xg1 n GLY 65 Ca -0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1xg1 n GLY 65 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xg1 h MET 66 N 0.00 0.31 0.00 1.61 2.86 -0.74 -3.49 114.93 115.48 1xg1 h MET 66 Ca 0.00 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1xg1 h MET 66 Cb 0.19 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1xg1 h MET 66 CO 0.00 1.25 0.00 -1.71 1.06 0.00 0.00 176.91 177.51