#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 6.59 0.17 1.61 0.01 -1.26 -4.91 113.70 115.91 1xg1 s SER 2 Ca 0.00 2.62 -0.12 0.00 1.31 0.00 0.00 55.95 59.76 1xg1 s SER 2 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.71 1xg1 s SER 2 CO 0.00 -0.82 1.74 -0.74 0.41 0.00 0.00 173.24 173.83 1xg1 h HIS 3 N 6.70 0.88 -0.89 2.43 -0.00 -2.07 -3.42 115.15 118.78 1xg1 h HIS 3 Ca -0.43 -0.05 0.09 0.00 -0.00 0.00 0.00 60.37 59.98 1xg1 h HIS 3 Cb 1.21 -0.27 -0.21 0.00 -0.00 0.00 0.00 27.41 28.14 1xg1 h HIS 3 CO 0.65 0.69 -0.25 1.41 -0.00 0.00 0.00 177.93 180.42 1xg1 s MET 4 N -5.63 0.50 -0.01 5.26 0.00 -1.26 -4.85 119.30 113.31 1xg1 s MET 4 Ca -0.13 0.74 -0.23 0.00 0.00 0.00 0.00 55.69 56.08 1xg1 s MET 4 Cb 0.13 0.39 -0.20 0.00 0.00 0.00 0.00 34.83 35.16 1xg1 s MET 4 CO 0.79 -0.69 1.18 0.93 0.00 0.00 0.00 175.02 177.23 1xg1 h GLU 5 N 7.96 0.23 0.00 4.11 5.08 -1.98 -3.47 114.58 126.51 1xg1 h GLU 5 Ca -0.14 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xg1 h GLU 5 Cb 1.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xg1 h GLU 5 CO 0.17 0.80 0.00 -3.47 -1.00 0.00 0.00 179.01 175.51 1xg1 n ASP 6 N -4.56 0.00 -2.75 1.42 2.03 -1.26 -4.96 116.55 106.47 1xg1 n ASP 6 Ca -0.08 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.21 1xg1 n ASP 6 Cb 0.42 0.06 0.08 0.00 -0.72 0.00 0.00 41.12 40.97 1xg1 n ASP 6 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xg1 n SER 7 N -1.39 0.22 0.21 1.67 7.64 -1.26 -4.97 113.62 115.75 1xg1 n SER 7 Ca 0.00 -2.19 -0.15 0.00 1.01 0.00 0.00 58.87 57.54 1xg1 n SER 7 Cb 0.00 0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 1xg1 n SER 7 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1xg1 h THR 8 N 4.51 0.60 -3.46 0.44 2.02 -1.92 -3.41 112.91 111.67 1xg1 h THR 8 Ca -0.26 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.39 1xg1 h THR 8 Cb 1.27 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1xg1 h THR 8 CO 0.06 0.00 0.25 0.42 0.37 0.00 0.00 175.52 176.62 1xg1 s THR 9 N -6.11 4.73 -0.02 3.16 -4.23 -1.26 -4.93 115.64 106.98 1xg1 s THR 9 Ca -0.16 1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1xg1 s THR 9 Cb 0.05 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1xg1 s THR 9 CO 0.64 0.30 1.92 -0.46 -0.54 0.00 0.00 174.62 176.48 1xg1 n ASN 10 N 3.12 5.23 -1.23 3.99 6.94 -1.26 -4.28 115.26 127.77 1xg1 n ASN 10 Ca 0.01 -2.42 0.04 0.00 -0.02 0.00 0.00 54.58 52.19 1xg1 n ASN 10 Cb 0.50 -1.08 0.22 0.00 -2.36 0.00 0.00 39.78 37.06 1xg1 n ASN 10 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1xg1 n ILE 11 N 1.35 1.45 -0.04 1.53 -6.64 -1.26 -4.06 119.36 111.69 1xg1 n ILE 11 Ca 0.02 -0.75 -0.18 0.00 -1.77 0.00 0.00 62.75 60.07 1xg1 n ILE 11 Cb 0.51 -0.34 -0.13 0.00 -1.44 0.00 0.00 39.64 38.23 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.71 -1.77 0.00 0.00 176.55 175.49 1xg1 h THR 12 N 2.18 1.40 -3.80 7.28 1.35 -1.77 -3.36 112.91 116.20 1xg1 h THR 12 Ca 0.00 -2.36 -0.48 0.00 -0.55 0.00 0.00 66.41 63.02 1xg1 h THR 12 Cb 1.26 2.97 -0.02 0.00 -1.73 0.00 0.00 68.15 70.64 1xg1 h THR 12 CO 0.25 0.58 0.34 -1.59 -0.25 0.00 0.00 175.52 174.86 1xg1 s LYS 13 N -2.34 4.72 -0.38 4.72 -2.85 -1.26 -4.47 119.74 117.89 1xg1 s LYS 13 Ca -0.20 1.40 -0.10 0.00 -1.00 0.00 0.00 55.97 56.06 1xg1 s LYS 13 Cb 0.01 -3.06 0.01 0.00 -2.06 0.00 0.00 37.83 32.73 1xg1 s LYS 13 CO 0.71 0.41 0.37 1.17 0.10 0.00 0.00 175.35 178.11 1xg1 n LYS 14 N 1.08 -2.77 0.00 1.78 4.81 -1.26 -4.82 118.16 116.97 1xg1 n LYS 14 Ca -0.00 2.35 0.00 0.00 -0.87 0.00 0.00 58.31 59.78 1xg1 n LYS 14 Cb 0.48 -5.42 0.00 0.00 0.02 0.00 0.00 35.03 30.11 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xg1 n GLN 15 N 0.10 0.00 -3.48 1.64 6.02 -1.26 -4.95 117.38 115.46 1xg1 n GLN 15 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1xg1 n GLN 15 Cb 0.30 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.51 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xg1 s LYS 16 N 0.00 0.35 0.04 -1.09 2.20 -1.26 -4.41 119.74 115.58 1xg1 s LYS 16 Ca 0.00 0.82 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 1xg1 s LYS 16 Cb 0.00 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1xg1 s LYS 16 CO 0.00 -0.11 -0.10 -1.58 -0.36 0.00 0.00 175.35 173.20 1xg1 s TRP 17 N 2.30 0.91 0.39 4.03 0.52 -1.26 -5.13 118.94 120.69 1xg1 s TRP 17 Ca -0.04 -0.39 -0.10 0.00 0.02 0.00 0.00 56.10 55.59 1xg1 s TRP 17 Cb -0.06 -0.54 -0.06 0.00 -1.15 0.00 0.00 33.47 31.66 1xg1 s TRP 17 CO -0.17 -0.01 0.74 0.95 0.02 0.00 0.00 176.95 178.47 1xg1 s THR 18 N -1.03 4.82 0.23 2.01 -4.23 -1.26 -4.95 115.64 111.22 1xg1 s THR 18 Ca -0.03 0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1xg1 s THR 18 Cb -0.08 -3.73 0.18 0.00 1.34 0.00 0.00 72.50 70.21 1xg1 s THR 18 CO 0.01 -0.48 1.85 1.62 -0.54 0.00 0.00 174.62 177.07 1xg1 h VAL 19 N 1.16 1.05 -0.43 2.29 3.04 -2.01 -1.17 116.25 120.18 1xg1 h VAL 19 Ca -0.47 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1xg1 h VAL 19 Cb 1.19 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1xg1 h VAL 19 CO 0.64 0.16 0.27 -0.08 -1.01 0.00 0.00 177.57 177.56 1xg1 h GLU 20 N 0.90 0.57 -0.60 4.17 4.57 -1.99 0.42 114.58 122.62 1xg1 h GLU 20 Ca 0.33 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1xg1 h GLU 20 Cb 0.12 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1xg1 h GLU 20 CO -0.15 0.40 0.32 0.93 -1.18 0.00 0.00 179.01 179.32 1xg1 h GLU 21 N 0.57 0.82 0.00 1.92 5.08 -1.85 -0.94 114.58 120.18 1xg1 h GLU 21 Ca 0.15 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1xg1 h GLU 21 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1xg1 h GLU 21 CO -0.03 0.61 -0.48 0.77 -1.00 0.00 0.00 179.01 178.88 1xg1 h SER 22 N 0.83 0.00 -0.34 1.42 0.02 -0.47 -2.89 113.55 112.13 1xg1 h SER 22 Ca 0.21 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 1xg1 h SER 22 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1xg1 h SER 22 CO -0.03 0.48 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.43 1xg1 h GLU 23 N 0.00 0.88 -0.58 3.45 4.39 0.42 -3.09 114.58 120.05 1xg1 h GLU 23 Ca -0.00 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1xg1 h GLU 23 Cb 0.86 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1xg1 h GLU 23 CO 0.06 1.10 0.34 -1.49 -1.16 0.00 0.00 179.01 177.86 1xg1 h TRP 24 N 0.73 0.78 -0.86 4.33 6.55 -1.20 -1.39 115.95 124.88 1xg1 h TRP 24 Ca 0.06 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.93 1xg1 h TRP 24 Cb 0.95 -0.25 -0.05 0.00 -0.86 0.00 0.00 29.16 28.95 1xg1 h TRP 24 CO 0.06 0.55 0.57 -0.39 -1.05 0.00 0.00 178.44 178.17 1xg1 h VAL 25 N 0.79 1.13 -0.02 1.49 -1.51 -1.49 0.21 116.25 116.84 1xg1 h VAL 25 Ca 0.21 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1xg1 h VAL 25 Cb 0.01 -0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.15 1xg1 h VAL 25 CO -0.04 0.19 -0.00 0.50 -1.23 0.00 0.00 177.57 176.99 1xg1 h LYS 26 N 1.06 0.04 -0.60 5.19 3.64 -1.36 -1.85 116.57 122.69 1xg1 h LYS 26 Ca 0.35 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1xg1 h LYS 26 Cb 0.05 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1xg1 h LYS 26 CO -0.11 0.39 0.32 0.00 -2.27 0.00 0.00 179.45 177.78 1xg1 h ALA 27 N 0.65 0.78 -0.79 5.00 0.00 -0.85 -2.67 119.26 121.38 1xg1 h ALA 27 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xg1 h ALA 27 Cb 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1xg1 h ALA 27 CO 0.00 0.31 0.40 0.78 0.00 0.00 0.00 179.25 180.74 1xg1 h GLY 28 N 0.82 1.19 1.45 0.00 0.00 -0.58 0.21 103.07 106.17 1xg1 h GLY 28 Ca 0.21 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1xg1 h GLY 28 CO -0.03 0.53 0.12 -2.08 0.00 0.00 0.00 176.54 175.08 1xg1 h VAL 29 N 1.11 1.20 0.09 4.60 2.07 -1.01 0.63 116.25 124.94 1xg1 h VAL 29 Ca 0.27 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 1xg1 h VAL 29 Cb 0.07 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1xg1 h VAL 29 CO -0.04 0.26 -0.53 -0.61 0.02 0.00 0.00 177.57 176.67 1xg1 h GLN 30 N 0.68 0.18 -0.04 1.57 -0.00 -1.13 -2.33 115.11 114.04 1xg1 h GLN 30 Ca 0.15 -0.31 -0.10 0.00 -0.00 0.00 0.00 58.65 58.39 1xg1 h GLN 30 Cb 0.24 0.12 0.01 0.00 0.00 0.00 0.00 27.48 27.85 1xg1 h GLN 30 CO -0.00 1.15 -0.38 -0.22 0.00 0.00 0.00 178.83 179.38 1xg1 h LYS 31 N -0.61 0.33 0.03 1.69 3.64 -0.52 -3.39 116.57 117.75 1xg1 h LYS 31 Ca -0.10 -0.30 -0.34 0.00 -1.27 0.00 0.00 60.65 58.65 1xg1 h LYS 31 Cb 1.40 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 1xg1 h LYS 31 CO 0.09 0.97 -1.87 0.66 -2.27 0.00 0.00 179.45 177.02 1xg1 n TYR 32 N -4.38 0.75 0.00 1.91 4.02 0.21 -5.06 117.16 114.61 1xg1 n TYR 32 Ca -0.09 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1xg1 n TYR 32 Cb 0.55 -1.09 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 1.65 3.58 3.66 2.72 0.00 -0.70 -4.89 105.19 111.21 1xg1 n GLY 33 Ca -0.38 -1.41 -0.49 0.00 0.00 0.00 0.00 46.02 43.74 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 0.29 1.97 0.00 1.61 2.13 -1.17 -2.07 120.64 123.40 1xg1 n GLU 34 Ca 0.00 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1xg1 n GLU 34 Cb 0.00 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.11 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 4.65 3.42 2.13 8.31 0.00 -1.26 -4.99 105.19 117.46 1xg1 n GLY 35 Ca 0.25 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 6.64 -0.26 1.61 3.02 -0.88 -4.56 115.26 120.83 1xg1 n ASN 36 Ca 0.00 -2.51 -0.04 0.00 -0.03 0.00 0.00 54.58 52.00 1xg1 n ASN 36 Cb 0.00 -1.47 0.11 0.00 -0.61 0.00 0.00 39.78 37.82 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 3.85 1.12 -0.34 3.10 4.06 -1.89 -2.28 115.95 123.57 1xg1 h TRP 37 Ca 0.47 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1xg1 h TRP 37 Cb 1.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.80 1xg1 h TRP 37 CO 1.83 0.84 0.23 0.00 -3.56 0.00 0.00 178.44 177.77 1xg1 h ALA 38 N 1.26 0.44 -0.64 1.49 0.00 -1.87 0.29 119.26 120.23 1xg1 h ALA 38 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xg1 h ALA 38 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xg1 h ALA 38 CO -0.03 -0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.38 1xg1 h ALA 39 N 1.12 1.24 -0.39 0.00 0.00 -1.89 -1.57 119.26 117.77 1xg1 h ALA 39 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xg1 h ALA 39 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xg1 h ALA 39 CO -0.03 0.56 -0.05 0.82 0.00 0.00 0.00 179.25 180.55 1xg1 h ILE 40 N 0.92 1.27 -0.89 0.00 2.04 -0.95 -1.43 117.51 118.47 1xg1 h ILE 40 Ca 0.22 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1xg1 h ILE 40 Cb 0.18 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1xg1 h ILE 40 CO -0.02 0.37 0.57 0.28 0.00 0.00 0.00 178.15 179.35 1xg1 h SER 41 N 0.54 1.04 0.25 1.72 0.02 -0.56 0.26 113.55 116.82 1xg1 h SER 41 Ca 0.10 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1xg1 h SER 41 Cb 0.55 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xg1 h SER 41 CO 0.03 0.78 -0.12 0.50 -1.14 0.00 0.00 176.83 176.88 1xg1 h LYS 42 N 1.22 -0.32 -0.20 3.45 3.11 -1.11 -3.36 116.57 119.36 1xg1 h LYS 42 Ca 0.32 0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 58.00 1xg1 h LYS 42 Cb -0.10 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.21 1xg1 h LYS 42 CO -0.07 0.05 -0.62 -0.91 -2.81 0.00 0.00 179.45 175.09 1xg1 h ASN 43 N -0.86 0.89 -3.76 4.20 2.35 -1.23 -3.45 115.58 113.72 1xg1 h ASN 43 Ca -0.03 -0.59 -0.49 0.00 -0.55 0.00 0.00 56.30 54.64 1xg1 h ASN 43 Cb 0.51 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1xg1 h ASN 43 CO 0.06 1.32 0.21 -0.31 -1.65 0.00 0.00 177.43 177.06 1xg1 s TYR 44 N -3.90 3.57 0.00 1.19 1.51 0.90 -4.92 117.35 115.70 1xg1 s TYR 44 Ca -0.11 1.52 -0.01 0.00 -1.01 0.00 0.00 57.07 57.46 1xg1 s TYR 44 Cb 0.08 -2.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1xg1 s TYR 44 CO 0.88 0.19 0.87 -0.35 -1.11 0.00 0.00 175.55 176.04 1xg1 n PRO 45 N 0.30 0.40 -2.26 -1.71 -0.04 -1.26 -4.69 135.00 125.74 1xg1 n PRO 45 Ca 0.01 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1xg1 n PRO 45 Cb 0.51 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.70 2.28 -0.21 0.54 0.08 -1.26 -4.98 117.98 116.13 1xg1 s PHE 46 Ca 0.06 0.67 -0.11 0.00 0.12 0.00 0.00 56.93 57.68 1xg1 s PHE 46 Cb 0.03 -4.16 -0.05 0.00 -0.57 0.00 0.00 43.02 38.27 1xg1 s PHE 46 CO 0.00 -2.28 0.17 0.54 -0.10 0.00 0.00 175.22 173.55 1xg1 s VAL 47 N 5.51 5.37 0.00 -0.44 0.11 -1.26 -4.47 120.40 125.22 1xg1 s VAL 47 Ca 0.66 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 1xg1 s VAL 47 Cb -0.18 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1xg1 s VAL 47 CO 0.31 0.39 0.00 0.59 -3.33 0.00 0.00 175.10 173.06 1xg1 n ASN 48 N 3.87 0.00 -4.67 3.54 3.02 -1.26 -4.91 115.26 114.84 1xg1 n ASN 48 Ca -0.15 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.96 1xg1 n ASN 48 Cb 0.52 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 1xg1 n ASN 48 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xg1 n ARG 49 N 0.00 2.67 -2.24 3.52 3.00 -1.26 -4.98 116.66 117.36 1xg1 n ARG 49 Ca 0.00 0.98 -0.26 0.00 -0.01 0.00 0.00 57.85 58.56 1xg1 n ARG 49 Cb 0.00 -2.90 0.09 0.00 0.00 0.00 0.00 32.46 29.65 1xg1 n ARG 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1xg1 s THR 50 N 4.24 2.24 0.30 0.55 -4.23 -1.26 -4.92 115.64 112.56 1xg1 s THR 50 Ca 0.90 -0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1xg1 s THR 50 Cb -0.51 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 70.58 1xg1 s THR 50 CO 0.45 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.41 1xg1 h ALA 51 N -0.69 1.31 -0.78 3.99 0.00 -1.94 -2.11 119.26 119.04 1xg1 h ALA 51 Ca -0.43 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1xg1 h ALA 51 Cb 1.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1xg1 h ALA 51 CO 0.54 0.51 0.30 0.28 0.00 0.00 0.00 179.25 180.88 1xg1 h VAL 52 N 0.81 1.26 -0.73 0.00 2.07 -1.93 0.19 116.25 117.92 1xg1 h VAL 52 Ca 0.19 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1xg1 h VAL 52 Cb 0.18 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1xg1 h VAL 52 CO -0.02 0.34 0.37 0.24 0.02 0.00 0.00 177.57 178.52 1xg1 h MET 53 N 1.14 1.04 -0.42 1.57 2.07 -1.77 0.27 114.93 118.83 1xg1 h MET 53 Ca 0.26 -0.14 -0.09 0.00 -2.07 0.00 0.00 59.70 57.66 1xg1 h MET 53 Cb 0.23 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 1xg1 h MET 53 CO -0.02 0.80 -0.09 0.82 1.07 0.00 0.00 176.91 179.49 1xg1 h ILE 54 N 1.01 1.27 -0.10 -1.22 2.04 -0.90 0.44 117.51 120.07 1xg1 h ILE 54 Ca 0.25 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1xg1 h ILE 54 Cb 0.09 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1xg1 h ILE 54 CO -0.04 0.40 -0.07 0.50 0.00 0.00 0.00 178.15 178.95 1xg1 h LYS 55 N 0.63 -0.07 -0.40 2.37 3.64 -0.11 0.27 116.57 122.90 1xg1 h LYS 55 Ca 0.11 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1xg1 h LYS 55 Cb 0.62 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1xg1 h LYS 55 CO 0.04 -0.05 0.10 0.22 -2.27 0.00 0.00 179.45 177.49 1xg1 h ASP 56 N -0.08 0.61 -0.53 4.20 1.82 -0.36 -2.85 116.42 119.23 1xg1 h ASP 56 Ca 0.06 -0.23 0.03 0.00 -0.39 0.00 0.00 57.03 56.50 1xg1 h ASP 56 Cb 0.17 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1xg1 h ASP 56 CO -0.14 0.68 0.31 -0.09 -1.61 0.00 0.00 179.24 178.38 1xg1 h ARG 57 N 0.51 0.60 -0.68 0.28 9.65 0.44 0.69 114.38 125.87 1xg1 h ARG 57 Ca 0.13 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1xg1 h ARG 57 Cb 0.31 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1xg1 h ARG 57 CO 0.00 0.40 0.31 2.35 2.80 0.00 0.00 179.97 185.83 1xg1 h TRP 58 N 0.62 1.00 -0.55 2.20 -0.00 -0.43 0.25 115.95 119.03 1xg1 h TRP 58 Ca 0.22 -0.06 0.03 0.00 -0.00 0.00 0.00 58.89 59.08 1xg1 h TRP 58 Cb 0.04 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 28.85 1xg1 h TRP 58 CO -0.07 0.76 0.32 -0.09 -0.00 0.00 0.00 178.44 179.36 1xg1 h ARG 59 N 0.95 0.61 -0.60 2.65 2.43 -1.16 -0.20 114.38 119.05 1xg1 h ARG 59 Ca 0.23 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1xg1 h ARG 59 Cb 0.15 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1xg1 h ARG 59 CO -0.03 0.40 0.01 1.79 -1.51 0.00 0.00 179.97 180.63 1xg1 h THR 60 N 0.62 1.26 -0.30 0.20 1.35 -0.27 -1.59 112.91 114.19 1xg1 h THR 60 Ca 0.23 -1.14 0.01 0.00 -0.55 0.00 0.00 66.41 64.96 1xg1 h THR 60 Cb 0.07 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 1xg1 h THR 60 CO -0.12 0.41 0.18 0.24 -0.25 0.00 0.00 175.52 175.98 1xg1 h MET 61 N 0.96 0.36 -0.68 4.72 2.86 0.19 -0.33 114.93 123.01 1xg1 h MET 61 Ca 0.17 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1xg1 h MET 61 Cb 0.54 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1xg1 h MET 61 CO 0.03 0.24 0.42 0.87 1.06 0.00 0.00 176.91 179.52 1xg1 h LYS 62 N 0.37 0.92 -0.69 1.72 1.57 -0.89 0.34 116.57 119.90 1xg1 h LYS 62 Ca 0.12 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xg1 h LYS 62 Cb -0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1xg1 h LYS 62 CO -0.05 0.65 0.39 -0.09 -0.57 0.00 0.00 179.45 179.78 1xg1 h ARG 63 N 0.93 0.95 0.00 3.15 2.43 -0.82 -1.06 114.38 119.95 1xg1 h ARG 63 Ca 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1xg1 h ARG 63 Cb -0.04 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1xg1 h ARG 63 CO -0.05 0.70 0.00 1.28 -1.51 0.00 0.00 179.97 180.39 1xg1 n LEU 64 N -4.52 0.00 -0.87 3.80 4.77 -0.18 -4.87 117.00 115.13 1xg1 n LEU 64 Ca 0.06 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1xg1 n LEU 64 Cb 0.08 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1xg1 n LEU 64 CO 0.37 -0.05 0.02 0.61 -1.33 0.00 0.00 177.39 177.01 1xg1 n GLY 65 N 0.68 0.58 2.37 -0.72 0.00 -0.40 -4.98 105.19 102.72 1xg1 n GLY 65 Ca 0.13 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.30 3.45 0.00 1.61 2.81 0.11 -5.00 117.12 118.80 1xg1 n MET 66 Ca -0.01 -4.38 0.15 0.00 -1.81 0.00 0.00 57.70 51.65 1xg1 n MET 66 Cb 0.52 -2.26 0.64 0.00 -0.71 0.00 0.00 33.22 31.41 1xg1 n MET 66 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77