#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 6.60 -1.45 1.61 1.04 -1.26 -1.81 113.70 118.42 1xg1 s SER 2 Ca 0.00 2.51 -0.07 0.00 0.48 0.00 0.00 55.95 58.87 1xg1 s SER 2 Cb 0.00 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.57 1xg1 s SER 2 CO 0.00 -0.88 0.92 1.57 0.98 0.00 0.00 173.24 175.83 1xg1 n HIS 3 N 5.39 -2.46 -1.93 5.02 -0.00 -1.26 -4.78 115.22 115.20 1xg1 n HIS 3 Ca 0.16 0.80 -0.02 0.00 -0.00 0.00 0.00 57.72 58.65 1xg1 n HIS 3 Cb 0.40 -4.73 -0.01 0.00 -0.00 0.00 0.00 29.99 25.65 1xg1 n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1xg1 n MET 4 N -4.57 0.14 -1.72 1.57 1.56 -0.76 -5.03 117.12 108.31 1xg1 n MET 4 Ca -0.04 -0.43 -0.40 0.00 -0.27 0.00 0.00 57.70 56.56 1xg1 n MET 4 Cb 0.58 0.42 -0.01 0.00 2.15 0.00 0.00 33.22 36.36 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1xg1 n GLU 5 N -0.17 4.07 -3.50 2.12 4.07 -0.75 -4.16 120.64 122.32 1xg1 n GLU 5 Ca -0.10 -2.90 -0.17 0.00 -0.06 0.00 0.00 57.16 53.93 1xg1 n GLU 5 Cb 0.49 -2.76 -0.05 0.00 -0.06 0.00 0.00 31.44 29.06 1xg1 n GLU 5 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1xg1 s ASP 6 N 1.30 -0.64 0.20 4.31 2.15 -1.26 -4.99 116.67 117.74 1xg1 s ASP 6 Ca 0.59 0.58 -0.33 0.00 0.43 0.00 0.00 52.55 53.83 1xg1 s ASP 6 Cb 0.17 0.55 -0.13 0.00 -0.30 0.00 0.00 42.92 43.21 1xg1 s ASP 6 CO -0.07 -0.68 1.53 -1.20 -0.17 0.00 0.00 175.17 174.58 1xg1 n SER 7 N 0.67 3.10 0.08 -0.34 7.64 -1.26 -4.90 113.62 118.60 1xg1 n SER 7 Ca -0.19 1.11 -0.11 0.00 1.01 0.00 0.00 58.87 60.69 1xg1 n SER 7 Cb 0.59 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 1xg1 n SER 7 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xg1 h THR 8 N 3.43 1.44 -2.80 0.44 1.35 -1.95 -3.44 112.91 111.38 1xg1 h THR 8 Ca -0.45 -2.49 -0.54 0.00 -0.55 0.00 0.00 66.41 62.37 1xg1 h THR 8 Cb 1.25 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1xg1 h THR 8 CO 0.84 0.74 0.92 -0.89 -0.25 0.00 0.00 175.52 176.88 1xg1 s THR 9 N -3.28 3.56 0.00 6.82 2.01 -1.26 -4.74 115.64 118.75 1xg1 s THR 9 Ca -0.04 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1xg1 s THR 9 Cb 0.10 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1xg1 s THR 9 CO 0.84 -0.02 0.00 -3.20 -0.69 0.00 0.00 174.62 171.55 1xg1 n ASN 10 N 5.80 -1.18 -3.46 3.53 5.15 -1.26 -4.95 115.26 118.89 1xg1 n ASN 10 Ca 0.14 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.99 1xg1 n ASN 10 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1xg1 n ILE 11 N 0.00 -6.46 -2.98 -1.44 5.41 -1.26 -2.78 119.36 109.86 1xg1 n ILE 11 Ca 0.00 -0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.53 1xg1 n ILE 11 Cb 0.00 -4.76 0.05 0.00 -0.71 0.00 0.00 39.64 34.22 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xg1 n THR 12 N -2.19 -2.70 0.14 1.39 -1.04 -1.26 -4.95 114.28 103.66 1xg1 n THR 12 Ca -0.17 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1xg1 n THR 12 Cb 0.61 -3.50 -0.08 0.00 -1.82 0.00 0.00 70.33 65.54 1xg1 n THR 12 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1xg1 h LYS 13 N -1.33 -0.29 -6.19 -2.82 2.10 -1.81 -3.47 116.57 102.77 1xg1 h LYS 13 Ca -0.34 0.02 -0.45 0.00 -2.00 0.00 0.00 60.65 57.88 1xg1 h LYS 13 Cb 1.21 0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1xg1 h LYS 13 CO 0.31 -0.12 -0.78 1.17 -2.00 0.00 0.00 179.45 178.02 1xg1 n LYS 14 N -5.18 -5.41 -2.97 0.07 3.00 -1.26 -4.91 118.16 101.51 1xg1 n LYS 14 Ca -0.09 0.62 -0.30 0.00 -0.00 0.00 0.00 58.31 58.54 1xg1 n LYS 14 Cb 0.17 -5.38 -0.04 0.00 0.00 0.00 0.00 35.03 29.78 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1xg1 n GLN 15 N -4.53 3.52 -1.70 1.64 6.02 -1.26 -5.07 117.38 115.99 1xg1 n GLN 15 Ca -0.11 -4.80 -0.34 0.00 -0.01 0.00 0.00 57.00 51.74 1xg1 n GLN 15 Cb 0.59 -2.29 0.06 0.00 1.02 0.00 0.00 30.24 29.63 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xg1 s LYS 16 N -3.45 2.59 -0.12 -1.09 -0.14 -1.26 -5.01 119.74 111.27 1xg1 s LYS 16 Ca 0.46 1.63 -0.10 0.00 -1.36 0.00 0.00 55.97 56.60 1xg1 s LYS 16 Cb 0.24 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 1xg1 s LYS 16 CO -0.11 -1.46 0.21 -1.58 -0.76 0.00 0.00 175.35 171.65 1xg1 s TRP 17 N -2.02 3.57 0.52 3.18 0.52 -1.26 -5.09 118.94 118.36 1xg1 s TRP 17 Ca 0.72 0.59 -0.12 0.00 0.02 0.00 0.00 56.10 57.31 1xg1 s TRP 17 Cb -0.26 -2.10 -0.06 0.00 -1.15 0.00 0.00 33.47 29.91 1xg1 s TRP 17 CO 0.40 0.58 0.93 0.95 0.02 0.00 0.00 176.95 179.83 1xg1 s THR 18 N -0.59 4.69 0.28 2.01 -4.23 -1.26 -4.94 115.64 111.60 1xg1 s THR 18 Ca 0.16 0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1xg1 s THR 18 Cb -0.13 -3.79 0.25 0.00 1.34 0.00 0.00 72.50 70.18 1xg1 s THR 18 CO 0.05 -0.83 1.95 1.62 -0.54 0.00 0.00 174.62 176.87 1xg1 h VAL 19 N 0.46 1.23 -0.10 2.29 3.04 -1.99 -1.99 116.25 119.19 1xg1 h VAL 19 Ca -0.46 -0.44 0.01 0.00 -1.01 0.00 0.00 66.70 64.80 1xg1 h VAL 19 Cb 1.19 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1xg1 h VAL 19 CO 0.62 0.22 0.04 -0.08 -1.01 0.00 0.00 177.57 177.36 1xg1 h GLU 20 N 1.17 0.09 -0.85 4.17 4.57 -1.99 -0.96 114.58 120.78 1xg1 h GLU 20 Ca 0.31 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1xg1 h GLU 20 Cb -0.11 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 1xg1 h GLU 20 CO -0.07 0.06 0.55 0.93 -1.18 0.00 0.00 179.01 179.31 1xg1 h GLU 21 N 0.09 1.08 0.00 1.92 5.08 -1.87 -1.66 114.58 119.22 1xg1 h GLU 21 Ca 0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1xg1 h GLU 21 Cb 0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1xg1 h GLU 21 CO -0.04 0.71 -0.32 0.77 -1.00 0.00 0.00 179.01 179.13 1xg1 h SER 22 N 1.11 0.00 -0.18 1.42 0.02 -1.03 -2.12 113.55 112.77 1xg1 h SER 22 Ca 0.32 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1xg1 h SER 22 Cb -0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1xg1 h SER 22 CO -0.09 0.32 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.29 1xg1 h GLU 23 N 0.00 0.67 -0.66 3.45 4.39 -0.24 -3.01 114.58 119.17 1xg1 h GLU 23 Ca -0.00 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 1xg1 h GLU 23 Cb 0.58 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1xg1 h GLU 23 CO 0.04 0.89 0.24 -1.49 -1.16 0.00 0.00 179.01 177.53 1xg1 h TRP 24 N 0.58 1.04 -0.70 4.33 6.55 -0.93 -2.12 115.95 124.69 1xg1 h TRP 24 Ca 0.07 -0.09 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 1xg1 h TRP 24 Cb 0.80 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.76 1xg1 h TRP 24 CO 0.04 0.82 0.37 -0.39 -1.05 0.00 0.00 178.44 178.24 1xg1 h VAL 25 N 0.95 1.21 0.06 1.49 -1.51 -1.37 0.30 116.25 117.38 1xg1 h VAL 25 Ca 0.22 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1xg1 h VAL 25 Cb 0.25 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 1xg1 h VAL 25 CO -0.01 0.24 -0.03 0.11 -1.23 0.00 0.00 177.57 176.64 1xg1 h LYS 26 N 0.98 -0.08 -0.78 5.19 1.57 -1.39 -1.30 116.57 120.76 1xg1 h LYS 26 Ca 0.25 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1xg1 h LYS 26 Cb 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1xg1 h LYS 26 CO -0.04 0.20 0.38 0.00 -0.57 0.00 0.00 179.45 179.42 1xg1 h ALA 27 N 0.55 1.00 -0.70 3.86 0.00 -1.09 -1.21 119.26 121.68 1xg1 h ALA 27 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xg1 h ALA 27 Cb 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xg1 h ALA 27 CO 0.01 0.56 0.33 0.78 0.00 0.00 0.00 179.25 180.93 1xg1 h GLY 28 N 1.09 1.08 1.23 0.00 0.00 -0.34 0.45 103.07 106.59 1xg1 h GLY 28 Ca 0.27 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1xg1 h GLY 28 CO -0.03 0.52 -0.02 -2.08 0.00 0.00 0.00 176.54 174.92 1xg1 h VAL 29 N 0.97 1.26 -0.11 4.60 2.07 -0.92 0.63 116.25 124.75 1xg1 h VAL 29 Ca 0.24 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1xg1 h VAL 29 Cb 0.13 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1xg1 h VAL 29 CO -0.03 0.40 -0.08 1.56 0.02 0.00 0.00 177.57 179.44 1xg1 h GLN 30 N 0.85 0.26 0.07 1.57 4.20 -0.74 -2.16 115.11 119.16 1xg1 h GLN 30 Ca 0.15 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 1xg1 h GLN 30 Cb 0.53 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xg1 h GLN 30 CO 0.03 0.63 -0.87 -0.22 -0.67 0.00 0.00 178.83 177.73 1xg1 h LYS 31 N -0.12 0.16 0.00 1.46 3.64 -0.04 -3.41 116.57 118.26 1xg1 h LYS 31 Ca 0.02 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1xg1 h LYS 31 Cb 0.57 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1xg1 h LYS 31 CO 0.02 1.13 -0.72 1.88 -2.27 0.00 0.00 179.45 179.49 1xg1 h TYR 32 N -0.61 0.00 0.00 1.91 -1.99 0.08 -3.51 116.97 112.85 1xg1 h TYR 32 Ca -0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1xg1 h TYR 32 Cb 1.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1xg1 h TYR 32 CO 0.18 0.71 0.00 0.41 -0.00 0.00 0.00 178.16 179.46 1xg1 n GLY 33 N 1.56 3.94 3.58 3.88 0.00 -0.66 -4.98 105.19 112.51 1xg1 n GLY 33 Ca -0.17 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.12 1.04 0.00 1.61 -0.00 -1.23 -2.47 120.64 119.46 1xg1 n GLU 34 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 57.16 57.54 1xg1 n GLU 34 Cb 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 31.44 29.44 1xg1 n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xg1 n GLY 35 N 1.34 3.08 2.05 -1.84 0.00 -1.26 -4.89 105.19 103.67 1xg1 n GLY 35 Ca 0.11 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 0.70 5.56 -0.36 1.61 3.02 -1.03 -4.55 115.26 120.21 1xg1 n ASN 36 Ca 0.00 -2.65 -0.03 0.00 -0.03 0.00 0.00 54.58 51.87 1xg1 n ASN 36 Cb 0.00 -1.34 0.10 0.00 -0.61 0.00 0.00 39.78 37.93 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 2.74 1.21 -0.43 3.10 4.06 -1.89 -1.79 115.95 122.94 1xg1 h TRP 37 Ca 0.22 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.18 1xg1 h TRP 37 Cb 1.27 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 1xg1 h TRP 37 CO 1.52 0.77 0.21 0.00 -3.56 0.00 0.00 178.44 177.38 1xg1 h ALA 38 N 1.34 1.56 -0.06 1.49 0.00 -1.86 0.80 119.26 122.52 1xg1 h ALA 38 Ca 0.35 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1xg1 h ALA 38 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xg1 h ALA 38 CO -0.07 0.36 -0.74 0.00 0.00 0.00 0.00 179.25 178.79 1xg1 h ALA 39 N 1.63 0.60 -0.11 0.00 0.00 -1.76 -2.59 119.26 117.03 1xg1 h ALA 39 Ca 0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1xg1 h ALA 39 Cb 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xg1 h ALA 39 CO -0.02 0.78 -0.16 0.82 0.00 0.00 0.00 179.25 180.67 1xg1 h ILE 40 N 0.25 1.37 -0.74 0.00 2.04 -0.52 -2.81 117.51 117.10 1xg1 h ILE 40 Ca -0.03 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 1xg1 h ILE 40 Cb 1.32 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 1xg1 h ILE 40 CO 0.13 0.40 0.40 0.77 0.00 0.00 0.00 178.15 179.84 1xg1 h SER 41 N -0.12 0.93 -0.33 1.72 4.64 -0.92 0.27 113.55 119.74 1xg1 h SER 41 Ca 0.01 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1xg1 h SER 41 Cb 0.71 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1xg1 h SER 41 CO 0.04 0.76 0.13 0.11 -0.87 0.00 0.00 176.83 176.99 1xg1 h LYS 42 N 1.04 0.50 0.09 4.77 6.56 -1.46 -3.33 116.57 124.74 1xg1 h LYS 42 Ca 0.26 -0.09 -0.23 0.00 -1.06 0.00 0.00 60.65 59.53 1xg1 h LYS 42 Cb 0.04 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 1xg1 h LYS 42 CO -0.04 0.51 -1.18 -0.91 -2.06 0.00 0.00 179.45 175.76 1xg1 h ASN 43 N 0.38 0.29 -4.08 0.86 2.35 -1.32 -3.47 115.58 110.60 1xg1 h ASN 43 Ca 0.11 -0.83 -0.48 0.00 -0.55 0.00 0.00 56.30 54.55 1xg1 h ASN 43 Cb 0.20 -0.09 0.04 0.00 0.05 0.00 0.00 38.32 38.51 1xg1 h ASN 43 CO -0.01 1.51 0.40 -0.31 -1.65 0.00 0.00 177.43 177.37 1xg1 s TYR 44 N -2.43 2.91 0.00 1.19 1.51 0.94 -4.90 117.35 116.57 1xg1 s TYR 44 Ca -0.20 1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 57.41 1xg1 s TYR 44 Cb 0.03 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.71 1xg1 s TYR 44 CO 0.74 -1.03 1.31 -0.35 -1.11 0.00 0.00 175.55 175.11 1xg1 n PRO 45 N -1.07 0.63 -2.24 -1.71 -0.04 -1.26 -4.73 135.00 124.57 1xg1 n PRO 45 Ca 0.10 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1xg1 n PRO 45 Cb 0.52 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.51 2.14 -0.26 0.54 0.08 -1.26 -4.96 117.98 115.78 1xg1 s PHE 46 Ca 0.12 0.62 -0.23 0.00 0.12 0.00 0.00 56.93 57.56 1xg1 s PHE 46 Cb 0.06 -4.27 -0.01 0.00 -0.57 0.00 0.00 43.02 38.23 1xg1 s PHE 46 CO 0.00 -2.24 0.77 0.54 -0.10 0.00 0.00 175.22 174.19 1xg1 s VAL 47 N 6.39 4.87 0.00 -0.44 0.11 -1.26 -4.21 120.40 125.86 1xg1 s VAL 47 Ca 0.64 1.39 0.00 0.00 -2.93 0.00 0.00 61.98 61.07 1xg1 s VAL 47 Cb -0.15 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 1xg1 s VAL 47 CO 0.29 -0.07 0.00 -0.46 -3.33 0.00 0.00 175.10 171.53 1xg1 n ASN 48 N 5.96 0.00 -4.67 3.54 0.23 -1.26 -4.91 115.26 114.15 1xg1 n ASN 48 Ca 0.04 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.66 1xg1 n ASN 48 Cb 0.48 -0.17 -0.03 0.00 -2.08 0.00 0.00 39.78 37.98 1xg1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xg1 s ARG 49 N 0.00 4.18 0.86 -3.83 3.00 -1.26 -4.99 118.95 116.91 1xg1 s ARG 49 Ca 0.00 2.32 -0.13 0.00 0.00 0.00 0.00 55.73 57.92 1xg1 s ARG 49 Cb 0.00 -3.95 0.12 0.00 0.00 0.00 0.00 34.95 31.12 1xg1 s ARG 49 CO 0.00 -0.85 1.19 0.95 0.00 0.00 0.00 175.30 176.59 1xg1 s THR 50 N 3.84 1.99 0.24 0.02 -4.23 -1.26 -4.91 115.64 111.34 1xg1 s THR 50 Ca 0.77 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 1xg1 s THR 50 Cb -0.37 -2.93 0.15 0.00 1.34 0.00 0.00 72.50 70.69 1xg1 s THR 50 CO 0.33 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.20 1xg1 h ALA 51 N -1.28 1.10 -0.64 3.99 0.00 -1.94 -1.89 119.26 118.61 1xg1 h ALA 51 Ca -0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1xg1 h ALA 51 Cb 1.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1xg1 h ALA 51 CO 0.60 0.61 0.30 0.28 0.00 0.00 0.00 179.25 181.05 1xg1 h VAL 52 N 0.98 1.21 -0.48 0.00 2.07 -1.93 0.21 116.25 118.31 1xg1 h VAL 52 Ca 0.22 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xg1 h VAL 52 Cb 0.29 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1xg1 h VAL 52 CO -0.01 0.24 0.31 0.24 0.02 0.00 0.00 177.57 178.38 1xg1 h MET 53 N 0.90 0.62 -0.40 1.57 2.07 -1.72 0.23 114.93 118.19 1xg1 h MET 53 Ca 0.22 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.76 1xg1 h MET 53 Cb 0.10 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 1xg1 h MET 53 CO -0.03 0.41 0.05 0.82 1.07 0.00 0.00 176.91 179.23 1xg1 h ILE 54 N 0.64 1.25 -0.25 -1.22 2.04 -0.86 0.47 117.51 119.57 1xg1 h ILE 54 Ca 0.18 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1xg1 h ILE 54 Cb -0.06 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1xg1 h ILE 54 CO -0.04 0.31 -0.03 0.50 0.00 0.00 0.00 178.15 178.89 1xg1 h LYS 55 N 0.52 0.04 -0.42 2.37 3.64 -0.10 0.33 116.57 122.95 1xg1 h LYS 55 Ca 0.12 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1xg1 h LYS 55 Cb 0.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1xg1 h LYS 55 CO 0.01 0.03 -0.09 0.22 -2.27 0.00 0.00 179.45 177.35 1xg1 h ASP 56 N 0.04 0.80 -0.74 4.20 1.82 -0.42 -3.11 116.42 119.02 1xg1 h ASP 56 Ca 0.12 -0.36 0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1xg1 h ASP 56 Cb 0.17 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 1xg1 h ASP 56 CO -0.23 0.97 0.48 -0.09 -1.61 0.00 0.00 179.24 178.77 1xg1 h ARG 57 N 0.62 0.95 -0.66 0.28 9.65 0.60 -2.30 114.38 123.52 1xg1 h ARG 57 Ca 0.11 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 1xg1 h ARG 57 Cb 0.61 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 1xg1 h ARG 57 CO 0.04 0.63 0.37 2.35 2.80 0.00 0.00 179.97 186.16 1xg1 h TRP 58 N 0.98 0.67 -0.54 2.20 -0.00 -0.31 -0.14 115.95 118.82 1xg1 h TRP 58 Ca 0.27 0.02 0.06 0.00 -0.00 0.00 0.00 58.89 59.25 1xg1 h TRP 58 Cb -0.09 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.16 28.81 1xg1 h TRP 58 CO -0.02 0.32 0.24 -0.09 -0.00 0.00 0.00 178.44 178.89 1xg1 h ARG 59 N 0.68 0.44 -0.55 2.65 2.43 -1.36 -1.10 114.38 117.57 1xg1 h ARG 59 Ca 0.29 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1xg1 h ARG 59 Cb 0.18 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1xg1 h ARG 59 CO -0.18 0.29 0.21 1.79 -1.51 0.00 0.00 179.97 180.58 1xg1 h THR 60 N 0.46 1.22 -0.94 0.20 1.35 -0.86 -1.21 112.91 113.12 1xg1 h THR 60 Ca 0.25 -0.70 0.06 0.00 -0.55 0.00 0.00 66.41 65.47 1xg1 h THR 60 Cb 0.23 0.65 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 1xg1 h THR 60 CO -0.22 0.27 0.60 0.24 -0.25 0.00 0.00 175.52 176.16 1xg1 h MET 61 N 0.75 1.08 -0.58 4.72 2.86 -0.35 0.15 114.93 123.56 1xg1 h MET 61 Ca 0.18 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1xg1 h MET 61 Cb 0.21 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1xg1 h MET 61 CO -0.01 0.71 -0.05 0.87 1.06 0.00 0.00 176.91 179.49 1xg1 h LYS 62 N 1.11 1.05 -0.77 1.72 1.57 -0.87 -0.50 116.57 119.87 1xg1 h LYS 62 Ca 0.40 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1xg1 h LYS 62 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1xg1 h LYS 62 CO -0.16 1.06 0.37 -0.09 -0.57 0.00 0.00 179.45 180.05 1xg1 h ARG 63 N 0.94 1.12 0.00 3.15 2.43 -0.10 -1.00 114.38 120.91 1xg1 h ARG 63 Ca 0.16 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xg1 h ARG 63 Cb 0.61 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1xg1 h ARG 63 CO 0.04 0.87 0.00 -0.07 -1.51 0.00 0.00 179.97 179.30 1xg1 h LEU 64 N 1.09 0.00 0.17 3.80 3.38 -0.76 -3.47 115.31 119.53 1xg1 h LEU 64 Ca 0.27 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1xg1 h LEU 64 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xg1 h LEU 64 CO -0.03 0.00 -0.18 0.61 0.09 0.00 0.00 178.44 178.93 1xg1 n GLY 65 N 0.19 0.27 2.49 0.83 0.00 -0.34 -4.95 105.19 103.68 1xg1 n GLY 65 Ca 0.01 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.69 3.02 0.00 1.61 2.00 -0.39 -5.02 117.12 116.65 1xg1 n MET 66 Ca -0.04 -3.75 0.00 0.00 0.00 0.00 0.00 57.70 53.90 1xg1 n MET 66 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.49 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24