#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 -5.39 -0.06 1.61 7.64 -1.26 -4.90 113.62 111.26 1xg1 n SER 2 Ca 0.00 -0.64 -0.14 0.00 1.01 0.00 0.00 58.87 59.10 1xg1 n SER 2 Cb 0.00 -4.61 -0.14 0.00 -1.01 0.00 0.00 64.21 58.44 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 -4.82 0.54 -3.24 1.43 -0.00 -1.26 -5.02 115.22 102.84 1xg1 n HIS 3 Ca -0.01 0.15 -0.15 0.00 -0.00 0.00 0.00 57.72 57.71 1xg1 n HIS 3 Cb 0.56 -1.09 0.07 0.00 -0.00 0.00 0.00 29.99 29.54 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 -3.10 -3.28 0.08 1.57 2.81 -1.26 -4.79 117.12 109.15 1xg1 n MET 4 Ca -0.31 0.84 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1xg1 n MET 4 Cb 1.07 -5.71 0.00 0.00 -0.71 0.00 0.00 33.22 27.87 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1xg1 n GLU 5 N -3.39 0.00 -4.29 0.03 0.00 -1.26 -5.07 120.64 106.65 1xg1 n GLU 5 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.67 1xg1 n GLU 5 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.03 1xg1 n GLU 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xg1 n ASP 6 N -2.90 -2.52 -0.02 4.31 8.00 -1.26 -4.87 116.55 117.30 1xg1 n ASP 6 Ca 0.00 -1.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.25 1xg1 n ASP 6 Cb 0.00 -2.43 -0.09 0.00 -0.02 0.00 0.00 41.12 38.57 1xg1 n ASP 6 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1xg1 h SER 7 N -1.38 0.58 -0.06 -2.24 4.64 -2.01 -3.40 113.55 109.69 1xg1 h SER 7 Ca -0.60 -0.68 -0.17 0.00 -0.47 0.00 0.00 61.79 59.87 1xg1 h SER 7 Cb 1.39 -0.17 -0.21 0.00 -0.31 0.00 0.00 62.40 63.09 1xg1 h SER 7 CO 0.80 1.18 -0.50 0.41 -0.87 0.00 0.00 176.83 177.84 1xg1 n THR 8 N -4.23 0.17 -0.03 2.95 -1.04 -1.26 -4.95 114.28 105.89 1xg1 n THR 8 Ca -0.09 -0.90 -0.16 0.00 -2.04 0.00 0.00 64.05 60.86 1xg1 n THR 8 Cb 0.62 0.86 -0.08 0.00 -1.82 0.00 0.00 70.33 69.91 1xg1 n THR 8 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xg1 h THR 9 N 5.00 1.35 -2.64 12.58 2.02 -1.95 -3.43 112.91 125.84 1xg1 h THR 9 Ca -0.42 -1.81 -0.55 0.00 0.77 0.00 0.00 66.41 64.40 1xg1 h THR 9 Cb 1.42 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 1xg1 h THR 9 CO -0.14 0.55 1.09 0.21 0.37 0.00 0.00 175.52 177.60 1xg1 s ASN 10 N -6.71 6.64 -0.43 4.18 3.84 -1.26 -4.86 114.94 116.33 1xg1 s ASN 10 Ca -0.12 2.12 -0.00 0.00 0.21 0.00 0.00 52.86 55.07 1xg1 s ASN 10 Cb 0.06 -2.53 0.38 0.00 -0.55 0.00 0.00 41.25 38.61 1xg1 s ASN 10 CO 0.84 -0.97 1.91 -0.38 -2.79 0.00 0.00 177.10 175.71 1xg1 n ILE 11 N 5.61 3.00 0.00 -5.21 5.41 -1.26 -4.90 119.36 122.01 1xg1 n ILE 11 Ca 0.17 -1.98 0.00 0.00 1.00 0.00 0.00 62.75 61.94 1xg1 n ILE 11 Cb 0.43 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.40 0.00 -3.14 1.39 -1.04 -1.26 -4.93 114.28 104.90 1xg1 n THR 12 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1xg1 n THR 12 Cb 0.85 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1xg1 n THR 12 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xg1 n LYS 13 N 0.00 0.00 -1.22 -2.82 5.02 -1.26 -5.01 118.16 112.88 1xg1 n LYS 13 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1xg1 n LYS 13 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1xg1 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xg1 n LYS 14 N -0.54 -2.65 -2.81 1.97 4.76 -1.26 -5.01 118.16 112.63 1xg1 n LYS 14 Ca 0.00 1.98 -0.01 0.00 -2.87 0.00 0.00 58.31 57.41 1xg1 n LYS 14 Cb 0.00 -3.15 0.00 0.00 -1.84 0.00 0.00 35.03 30.04 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xg1 n GLN 15 N -4.03 -2.95 -1.83 1.97 1.13 -1.26 -4.88 117.38 105.53 1xg1 n GLN 15 Ca -0.03 2.45 -0.42 0.00 -1.94 0.00 0.00 57.00 57.06 1xg1 n GLN 15 Cb 0.57 -4.73 -0.02 0.00 0.11 0.00 0.00 30.24 26.17 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1xg1 s LYS 16 N -1.62 4.16 0.14 -1.09 -0.14 -1.26 -4.93 119.74 114.99 1xg1 s LYS 16 Ca 0.02 2.51 -0.30 0.00 -1.36 0.00 0.00 55.97 56.84 1xg1 s LYS 16 Cb -0.01 -3.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.02 1xg1 s LYS 16 CO 0.67 -0.59 1.21 -1.58 -0.76 0.00 0.00 175.35 174.29 1xg1 s TRP 17 N 0.14 3.43 0.13 3.18 0.52 -1.26 -5.03 118.94 120.05 1xg1 s TRP 17 Ca 0.64 1.35 -0.07 0.00 0.02 0.00 0.00 56.10 58.04 1xg1 s TRP 17 Cb -0.46 -3.44 -0.06 0.00 -1.15 0.00 0.00 33.47 28.36 1xg1 s TRP 17 CO 0.45 -1.29 0.40 0.95 0.02 0.00 0.00 176.95 177.49 1xg1 s THR 18 N 0.41 5.12 0.36 2.01 -4.23 -1.26 -4.97 115.64 113.08 1xg1 s THR 18 Ca 0.56 0.21 0.13 0.00 -1.18 0.00 0.00 61.69 61.41 1xg1 s THR 18 Cb -0.32 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.25 1xg1 s THR 18 CO 0.33 0.10 1.77 1.62 -0.54 0.00 0.00 174.62 177.90 1xg1 h VAL 19 N 2.29 0.57 -0.12 2.29 3.04 -1.98 -1.08 116.25 121.26 1xg1 h VAL 19 Ca -0.47 -0.18 0.01 0.00 -1.01 0.00 0.00 66.70 65.05 1xg1 h VAL 19 Cb 1.17 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1xg1 h VAL 19 CO 0.70 0.10 0.05 -0.08 -1.01 0.00 0.00 177.57 177.32 1xg1 h GLU 20 N 0.52 0.11 -0.47 4.17 4.81 -2.00 0.12 114.58 121.85 1xg1 h GLU 20 Ca 0.60 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.76 1xg1 h GLU 20 Cb 1.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1xg1 h GLU 20 CO -0.35 0.07 0.05 0.93 -0.73 0.00 0.00 179.01 178.97 1xg1 h GLU 21 N 0.11 0.74 0.00 1.92 5.08 -1.63 -1.87 114.58 118.93 1xg1 h GLU 21 Ca 0.05 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1xg1 h GLU 21 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1xg1 h GLU 21 CO -0.05 0.72 -0.28 0.77 -1.00 0.00 0.00 179.01 179.17 1xg1 h SER 22 N 0.71 0.00 -0.56 1.42 0.02 -0.82 -2.66 113.55 111.66 1xg1 h SER 22 Ca 0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1xg1 h SER 22 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1xg1 h SER 22 CO 0.01 0.28 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.64 1xg1 h GLU 23 N 0.00 1.00 -0.60 3.45 4.39 -0.13 -3.00 114.58 119.70 1xg1 h GLU 23 Ca -0.00 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 1xg1 h GLU 23 Cb 0.59 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1xg1 h GLU 23 CO 0.04 1.01 0.14 -1.49 -1.16 0.00 0.00 179.01 177.54 1xg1 h TRP 24 N 0.88 0.98 -0.71 4.33 6.55 -1.36 -0.90 115.95 125.72 1xg1 h TRP 24 Ca 0.16 -0.10 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 1xg1 h TRP 24 Cb 0.57 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.55 1xg1 h TRP 24 CO 0.04 0.81 0.28 -0.39 -1.05 0.00 0.00 178.44 178.14 1xg1 h VAL 25 N 0.90 1.24 -0.16 1.49 -1.51 -1.42 0.37 116.25 117.17 1xg1 h VAL 25 Ca 0.19 -0.75 -0.05 0.00 -1.23 0.00 0.00 66.70 64.86 1xg1 h VAL 25 Cb 0.33 0.39 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1xg1 h VAL 25 CO 0.00 0.31 -0.10 0.11 -1.23 0.00 0.00 177.57 176.65 1xg1 h LYS 26 N 1.02 0.34 -0.64 5.19 1.57 -1.36 -0.96 116.57 121.73 1xg1 h LYS 26 Ca 0.24 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xg1 h LYS 26 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1xg1 h LYS 26 CO -0.02 0.69 0.37 0.00 -0.57 0.00 0.00 179.45 179.92 1xg1 h ALA 27 N 0.65 0.82 -0.53 3.86 0.00 -0.84 -1.67 119.26 121.55 1xg1 h ALA 27 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xg1 h ALA 27 Cb 0.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xg1 h ALA 27 CO 0.03 0.31 -0.07 0.78 0.00 0.00 0.00 179.25 180.30 1xg1 h GLY 28 N 0.87 1.04 1.23 0.00 0.00 -0.22 0.34 103.07 106.33 1xg1 h GLY 28 Ca 0.23 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1xg1 h GLY 28 CO -0.04 0.73 0.13 -2.08 0.00 0.00 0.00 176.54 175.28 1xg1 h VAL 29 N 0.87 1.25 -0.11 4.60 2.07 -0.85 0.84 116.25 124.92 1xg1 h VAL 29 Ca 0.15 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.60 1xg1 h VAL 29 Cb 0.61 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1xg1 h VAL 29 CO 0.04 0.34 -0.52 -0.61 0.02 0.00 0.00 177.57 176.85 1xg1 h GLN 30 N 0.91 0.54 0.00 1.57 4.15 -1.10 -1.41 115.11 119.77 1xg1 h GLN 30 Ca 0.19 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1xg1 h GLN 30 Cb 0.35 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 1xg1 h GLN 30 CO 0.00 1.06 -0.06 -0.22 -1.93 0.00 0.00 178.83 177.69 1xg1 h LYS 31 N 0.15 0.00 0.07 1.69 3.64 -0.78 -3.40 116.57 117.93 1xg1 h LYS 31 Ca -0.03 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 1xg1 h LYS 31 Cb 1.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1xg1 h LYS 31 CO 0.11 0.95 -1.50 1.88 -2.27 0.00 0.00 179.45 178.61 1xg1 h TYR 32 N -1.00 0.27 0.00 1.91 -1.99 0.50 -3.51 116.97 113.16 1xg1 h TYR 32 Ca -0.02 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.52 1xg1 h TYR 32 Cb 0.96 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.68 1xg1 h TYR 32 CO 0.26 1.59 0.00 0.41 -0.00 0.00 0.00 178.16 180.42 1xg1 n GLY 33 N 1.70 3.10 3.68 3.88 0.00 -0.54 -4.90 105.19 112.11 1xg1 n GLY 33 Ca -0.30 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 43.91 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 1.07 2.54 0.00 1.61 0.28 -1.21 -2.67 120.64 122.26 1xg1 n GLU 34 Ca 0.00 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 1xg1 n GLU 34 Cb 0.00 -2.79 0.00 0.00 1.43 0.00 0.00 31.44 30.08 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 4.13 4.15 2.14 -1.84 0.00 -1.26 -4.98 105.19 107.54 1xg1 n GLY 35 Ca 0.19 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 5.85 -0.28 1.61 3.02 -1.09 -4.58 115.26 119.79 1xg1 n ASN 36 Ca 0.00 -2.66 -0.01 0.00 -0.03 0.00 0.00 54.58 51.88 1xg1 n ASN 36 Cb 0.00 -1.39 0.18 0.00 -0.61 0.00 0.00 39.78 37.96 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 3.20 1.09 -0.68 3.10 4.06 -1.90 -0.32 115.95 124.49 1xg1 h TRP 37 Ca 0.30 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.24 1xg1 h TRP 37 Cb 1.22 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.99 1xg1 h TRP 37 CO 1.72 0.71 0.35 0.00 -3.56 0.00 0.00 178.44 177.66 1xg1 h ALA 38 N 1.43 0.87 -0.29 1.49 0.00 -1.87 0.42 119.26 121.30 1xg1 h ALA 38 Ca 0.31 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1xg1 h ALA 38 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1xg1 h ALA 38 CO -0.06 0.42 -0.38 0.00 0.00 0.00 0.00 179.25 179.23 1xg1 h ALA 39 N 1.17 0.79 -0.24 0.00 0.00 -1.79 -1.92 119.26 117.26 1xg1 h ALA 39 Ca 0.24 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1xg1 h ALA 39 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xg1 h ALA 39 CO -0.03 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 1xg1 h ILE 40 N 0.56 1.28 -0.30 0.00 2.04 -0.65 -1.49 117.51 118.95 1xg1 h ILE 40 Ca 0.05 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1xg1 h ILE 40 Cb 0.90 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1xg1 h ILE 40 CO 0.08 0.33 -0.01 0.77 0.00 0.00 0.00 178.15 179.32 1xg1 h SER 41 N 0.20 0.43 -0.07 1.72 4.64 -0.90 0.42 113.55 119.99 1xg1 h SER 41 Ca 0.06 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1xg1 h SER 41 Cb 0.52 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1xg1 h SER 41 CO 0.02 0.50 -0.01 0.50 -0.87 0.00 0.00 176.83 176.97 1xg1 h LYS 42 N 0.44 0.13 0.19 4.77 1.63 -1.13 -3.35 116.57 119.25 1xg1 h LYS 42 Ca 0.10 -0.05 -0.31 0.00 -0.85 0.00 0.00 60.65 59.54 1xg1 h LYS 42 Cb 0.31 -0.01 0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1xg1 h LYS 42 CO 0.01 0.44 -1.46 -0.91 -3.45 0.00 0.00 179.45 174.09 1xg1 h ASN 43 N -0.20 0.64 -3.98 4.20 2.35 -1.11 -3.47 115.58 114.01 1xg1 h ASN 43 Ca 0.02 -0.92 -0.46 0.00 -0.55 0.00 0.00 56.30 54.39 1xg1 h ASN 43 Cb 0.39 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1xg1 h ASN 43 CO 0.01 1.67 0.35 -0.31 -1.65 0.00 0.00 177.43 177.50 1xg1 s TYR 44 N -2.54 3.45 0.00 1.19 1.51 0.15 -4.91 117.35 116.19 1xg1 s TYR 44 Ca -0.14 1.68 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 1xg1 s TYR 44 Cb 0.04 -2.91 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1xg1 s TYR 44 CO 0.87 -0.04 0.99 -0.35 -1.11 0.00 0.00 175.55 175.91 1xg1 n PRO 45 N -0.12 0.45 -2.41 -1.71 -0.04 -1.26 -4.71 135.00 125.19 1xg1 n PRO 45 Ca 0.05 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1xg1 n PRO 45 Cb 0.52 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.36 -0.19 0.54 0.08 -1.26 -4.99 117.98 116.33 1xg1 s PHE 46 Ca 0.09 0.53 -0.10 0.00 0.12 0.00 0.00 56.93 57.57 1xg1 s PHE 46 Cb 0.04 -4.39 -0.05 0.00 -0.57 0.00 0.00 43.02 38.06 1xg1 s PHE 46 CO 0.00 -1.91 0.13 0.54 -0.10 0.00 0.00 175.22 173.88 1xg1 s VAL 47 N 5.76 5.40 0.00 -0.44 0.11 -1.26 -4.30 120.40 125.66 1xg1 s VAL 47 Ca 0.53 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1xg1 s VAL 47 Cb -0.11 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1xg1 s VAL 47 CO 0.27 0.46 0.00 0.59 -3.33 0.00 0.00 175.10 173.09 1xg1 n ASN 48 N 3.35 0.00 -4.69 3.54 3.02 -1.26 -4.94 115.26 114.29 1xg1 n ASN 48 Ca -0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 1xg1 n ASN 48 Cb 0.52 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 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 4.31 0.35 3.52 3.00 -1.26 -5.02 118.95 123.85 1xg1 s ARG 49 Ca 0.00 1.87 -0.07 0.00 0.00 0.00 0.00 55.73 57.53 1xg1 s ARG 49 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 34.95 31.35 1xg1 s ARG 49 CO 0.00 -0.52 0.65 0.95 0.00 0.00 0.00 175.30 176.39 1xg1 s THR 50 N 2.23 4.92 0.31 0.02 -4.23 -1.26 -4.94 115.64 112.68 1xg1 s THR 50 Ca 0.61 0.30 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 1xg1 s THR 50 Cb -0.29 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 70.10 1xg1 s THR 50 CO 0.25 -0.43 1.87 0.00 -0.54 0.00 0.00 174.62 175.77 1xg1 h ALA 51 N 1.44 1.59 -0.68 3.99 0.00 -1.95 -0.51 119.26 123.13 1xg1 h ALA 51 Ca -0.47 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1xg1 h ALA 51 Cb 1.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1xg1 h ALA 51 CO 0.65 0.20 0.23 0.28 0.00 0.00 0.00 179.25 180.60 1xg1 h VAL 52 N 0.94 1.25 -0.71 0.00 2.07 -1.93 0.22 116.25 118.09 1xg1 h VAL 52 Ca 0.45 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1xg1 h VAL 52 Cb 0.45 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1xg1 h VAL 52 CO -0.21 0.33 0.28 0.24 0.02 0.00 0.00 177.57 178.23 1xg1 h MET 53 N 0.99 1.06 -0.40 1.57 2.07 -1.54 0.23 114.93 118.91 1xg1 h MET 53 Ca 0.22 -0.19 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 1xg1 h MET 53 Cb 0.28 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 1xg1 h MET 53 CO -0.01 0.88 0.16 0.82 1.07 0.00 0.00 176.91 179.82 1xg1 h ILE 54 N 1.01 1.20 0.17 -1.22 2.04 -0.69 0.56 117.51 120.57 1xg1 h ILE 54 Ca 0.24 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1xg1 h ILE 54 Cb 0.22 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1xg1 h ILE 54 CO -0.02 0.22 -0.21 0.50 0.00 0.00 0.00 178.15 178.64 1xg1 h LYS 55 N 0.51 -0.42 -0.52 2.37 3.64 -0.08 -0.90 116.57 121.17 1xg1 h LYS 55 Ca 0.13 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xg1 h LYS 55 Cb 0.20 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1xg1 h LYS 55 CO -0.01 -0.28 0.04 0.22 -2.27 0.00 0.00 179.45 177.15 1xg1 h ASP 56 N -0.43 0.81 -0.41 4.20 3.58 -0.40 -2.51 116.42 121.26 1xg1 h ASP 56 Ca 0.01 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.29 1xg1 h ASP 56 Cb 0.43 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1xg1 h ASP 56 CO -0.08 0.86 0.27 -0.09 -2.88 0.00 0.00 179.24 177.32 1xg1 h ARG 57 N 0.80 0.50 -0.59 0.28 9.65 0.57 -1.23 114.38 124.36 1xg1 h ARG 57 Ca 0.16 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1xg1 h ARG 57 Cb 0.42 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1xg1 h ARG 57 CO 0.01 0.33 0.36 2.35 2.80 0.00 0.00 179.97 185.83 1xg1 h TRP 58 N 0.51 0.77 -0.29 2.20 -0.00 -0.71 0.04 115.95 118.48 1xg1 h TRP 58 Ca 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 58.89 59.10 1xg1 h TRP 58 Cb 0.01 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.16 28.87 1xg1 h TRP 58 CO -0.00 0.52 -0.00 0.00 -0.00 0.00 0.00 178.44 178.96 1xg1 h ARG 59 N 0.79 0.08 -0.76 2.65 -0.00 -1.24 -1.03 114.38 114.87 1xg1 h ARG 59 Ca 0.21 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.66 1xg1 h ARG 59 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 29.88 1xg1 h ARG 59 CO -0.04 0.05 0.39 1.79 0.00 0.00 0.00 179.97 182.16 1xg1 h THR 60 N 0.09 1.23 -0.55 2.04 1.35 -1.08 0.75 112.91 116.74 1xg1 h THR 60 Ca 0.14 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1xg1 h THR 60 Cb 0.18 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 1xg1 h THR 60 CO -0.23 0.27 0.34 0.24 -0.25 0.00 0.00 175.52 175.89 1xg1 h MET 61 N 1.08 0.73 -0.60 4.72 2.86 -0.18 0.15 114.93 123.69 1xg1 h MET 61 Ca 0.27 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1xg1 h MET 61 Cb 0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1xg1 h MET 61 CO -0.04 0.52 0.06 0.87 1.06 0.00 0.00 176.91 179.38 1xg1 h LYS 62 N 0.74 1.00 -0.38 1.72 1.57 -0.73 0.34 116.57 120.83 1xg1 h LYS 62 Ca 0.20 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xg1 h LYS 62 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1xg1 h LYS 62 CO -0.04 0.95 0.24 -0.09 -0.57 0.00 0.00 179.45 179.94 1xg1 h ARG 63 N 0.94 0.51 0.00 3.15 9.65 -0.05 -1.62 114.38 126.96 1xg1 h ARG 63 Ca 0.18 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1xg1 h ARG 63 Cb 0.46 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1xg1 h ARG 63 CO 0.02 0.36 0.00 -0.07 2.80 0.00 0.00 179.97 183.08 1xg1 h LEU 64 N 0.51 0.00 0.00 3.80 3.38 -0.45 -3.46 115.31 119.09 1xg1 h LEU 64 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xg1 h LEU 64 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xg1 h LEU 64 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1xg1 n GLY 65 N 0.15 0.82 2.79 0.83 0.00 -0.45 -4.98 105.19 104.35 1xg1 n GLY 65 Ca 0.02 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.57 2.90 0.00 1.61 2.81 0.11 -4.99 117.12 117.99 1xg1 n MET 66 Ca 0.00 -3.33 0.00 0.00 -1.81 0.00 0.00 57.70 52.56 1xg1 n MET 66 Cb 0.22 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.46 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75