#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 -3.71 0.00 1.61 7.64 -1.26 -4.82 113.62 113.08 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 -0.81 0.00 -3.30 1.43 -0.00 -1.26 -4.50 115.22 106.78 1xg1 n HIS 3 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1xg1 n HIS 3 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1xg1 n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1xg1 s MET 4 N 0.00 0.37 0.12 1.57 -2.45 -1.26 -5.14 119.30 112.51 1xg1 s MET 4 Ca 0.00 0.79 -0.31 0.00 -1.25 0.00 0.00 55.69 54.93 1xg1 s MET 4 Cb 0.00 0.46 -0.07 0.00 1.25 0.00 0.00 34.83 36.47 1xg1 s MET 4 CO 0.00 -0.28 1.26 -1.83 1.05 0.00 0.00 175.02 175.22 1xg1 s GLU 5 N 2.76 4.41 0.00 4.11 1.03 -1.26 -4.76 118.70 124.99 1xg1 s GLU 5 Ca 0.03 1.90 0.00 0.00 0.03 0.00 0.00 54.97 56.94 1xg1 s GLU 5 Cb -0.10 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 1xg1 s GLU 5 CO -0.17 -0.26 0.00 -3.47 -1.33 0.00 0.00 175.26 170.03 1xg1 n ASP 6 N 3.46 1.01 -2.31 0.83 -0.08 -1.26 -5.01 116.55 113.19 1xg1 n ASP 6 Ca 0.08 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.02 1xg1 n ASP 6 Cb 0.44 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.99 1xg1 n ASP 6 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1xg1 n SER 7 N 0.00 7.56 -3.49 1.67 3.41 -1.26 -4.82 113.62 116.68 1xg1 n SER 7 Ca 0.00 -3.75 -0.21 0.00 -0.26 0.00 0.00 58.87 54.65 1xg1 n SER 7 Cb 0.00 -0.98 0.08 0.00 -0.26 0.00 0.00 64.21 63.05 1xg1 n SER 7 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xg1 n THR 8 N -0.86 -4.32 -0.02 6.66 -1.04 -1.26 -4.92 114.28 108.51 1xg1 n THR 8 Ca 0.61 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 62.18 1xg1 n THR 8 Cb 0.68 -4.43 -0.13 0.00 -1.82 0.00 0.00 70.33 64.63 1xg1 n THR 8 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1xg1 h THR 9 N -2.32 0.73 -2.92 12.58 1.35 -1.92 -3.43 112.91 116.97 1xg1 h THR 9 Ca -0.57 -2.30 -0.59 0.00 -0.55 0.00 0.00 66.41 62.39 1xg1 h THR 9 Cb 1.35 2.43 -0.04 0.00 -1.73 0.00 0.00 68.15 70.17 1xg1 h THR 9 CO 0.53 0.72 -0.44 0.54 -0.25 0.00 0.00 175.52 176.62 1xg1 s ASN 10 N -7.00 6.39 -1.35 5.36 2.20 -1.26 -4.36 114.94 114.91 1xg1 s ASN 10 Ca -0.24 0.34 -0.05 0.00 -0.94 0.00 0.00 52.86 51.97 1xg1 s ASN 10 Cb 0.06 -1.99 0.02 0.00 -2.00 0.00 0.00 41.25 37.35 1xg1 s ASN 10 CO 0.72 0.11 0.91 -0.38 -2.94 0.00 0.00 177.10 175.52 1xg1 n ILE 11 N 0.07 -3.92 -0.06 0.54 2.08 -1.26 -4.55 119.36 112.25 1xg1 n ILE 11 Ca -0.05 -0.29 -0.11 0.00 0.56 0.00 0.00 62.75 62.86 1xg1 n ILE 11 Cb 0.52 -3.83 -0.05 0.00 -0.75 0.00 0.00 39.64 35.53 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1xg1 h THR 12 N -2.07 1.24 -3.40 1.39 1.35 -1.83 -3.40 112.91 106.18 1xg1 h THR 12 Ca -0.59 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1xg1 h THR 12 Cb 1.36 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1xg1 h THR 12 CO 0.58 0.25 -0.79 0.29 -0.25 0.00 0.00 175.52 175.60 1xg1 n LYS 13 N -4.71 -4.33 -0.19 4.72 5.02 -1.26 -5.04 118.16 112.37 1xg1 n LYS 13 Ca -0.04 3.12 0.00 0.00 -2.02 0.00 0.00 58.31 59.37 1xg1 n LYS 13 Cb 0.21 -3.44 0.00 0.00 -0.02 0.00 0.00 35.03 31.78 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 0.32 0.42 -1.06 1.97 4.76 -1.26 -4.88 118.16 118.43 1xg1 n LYS 14 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1xg1 n LYS 14 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 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 -0.85 2.37 -1.65 1.97 3.00 -1.26 -4.92 117.38 116.04 1xg1 n GLN 15 Ca 0.00 -1.27 -0.47 0.00 -0.01 0.00 0.00 57.00 55.25 1xg1 n GLN 15 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 30.24 28.02 1xg1 n GLN 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1xg1 n LYS 16 N 2.77 1.83 -1.93 -1.09 5.02 -1.26 -4.87 118.16 118.64 1xg1 n LYS 16 Ca 0.51 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 57.03 1xg1 n LYS 16 Cb 0.74 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 1xg1 n LYS 16 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xg1 s TRP 17 N 0.41 2.78 0.41 2.13 0.52 -1.26 -5.00 118.94 118.92 1xg1 s TRP 17 Ca 0.76 0.48 -0.09 0.00 0.02 0.00 0.00 56.10 57.27 1xg1 s TRP 17 Cb -0.74 -3.95 -0.06 0.00 -1.15 0.00 0.00 33.47 27.58 1xg1 s TRP 17 CO 0.45 -3.64 0.75 0.95 0.02 0.00 0.00 176.95 175.48 1xg1 s THR 18 N 1.80 4.83 0.29 2.01 -4.23 -1.26 -4.94 115.64 114.14 1xg1 s THR 18 Ca 0.72 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.69 1xg1 s THR 18 Cb -0.42 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 69.93 1xg1 s THR 18 CO 0.32 -0.56 1.92 1.62 -0.54 0.00 0.00 174.62 177.37 1xg1 h VAL 19 N 0.95 1.13 0.20 2.29 3.04 -1.98 -0.85 116.25 121.03 1xg1 h VAL 19 Ca -0.47 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1xg1 h VAL 19 Cb 1.19 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1xg1 h VAL 19 CO 0.64 0.21 -0.15 -0.08 -1.01 0.00 0.00 177.57 177.17 1xg1 h GLU 20 N 1.13 -0.34 -0.97 4.17 4.57 -1.99 0.04 114.58 121.18 1xg1 h GLU 20 Ca 0.38 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.63 1xg1 h GLU 20 Cb 0.07 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 1xg1 h GLU 20 CO -0.12 -0.23 0.63 0.93 -1.18 0.00 0.00 179.01 179.04 1xg1 h GLU 21 N -0.35 1.16 -0.32 1.92 3.07 -1.86 -1.99 114.58 116.21 1xg1 h GLU 21 Ca -0.01 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1xg1 h GLU 21 Cb 0.31 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1xg1 h GLU 21 CO -0.01 0.77 -0.22 0.77 -1.40 0.00 0.00 179.01 178.92 1xg1 h SER 22 N 1.20 0.62 -0.42 1.42 0.02 -0.73 -2.67 113.55 112.98 1xg1 h SER 22 Ca 0.39 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1xg1 h SER 22 Cb 0.05 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1xg1 h SER 22 CO -0.13 0.83 0.05 -0.33 -1.14 0.00 0.00 176.83 176.11 1xg1 h GLU 23 N 0.54 0.79 -0.29 3.45 4.39 -0.26 -2.58 114.58 120.62 1xg1 h GLU 23 Ca 0.08 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1xg1 h GLU 23 Cb 0.67 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1xg1 h GLU 23 CO 0.05 0.76 0.11 -1.49 -1.16 0.00 0.00 179.01 177.29 1xg1 h TRP 24 N 0.75 0.44 -0.53 4.33 6.55 -1.13 -1.15 115.95 125.20 1xg1 h TRP 24 Ca 0.15 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 1xg1 h TRP 24 Cb 0.39 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.53 1xg1 h TRP 24 CO 0.02 0.44 0.28 -0.39 -1.05 0.00 0.00 178.44 177.75 1xg1 h VAL 25 N 0.32 1.17 -0.05 1.49 -1.51 -1.33 0.52 116.25 116.86 1xg1 h VAL 25 Ca 0.10 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1xg1 h VAL 25 Cb 0.19 0.46 -0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1xg1 h VAL 25 CO -0.01 0.19 0.00 0.50 -1.23 0.00 0.00 177.57 177.02 1xg1 h LYS 26 N 0.74 0.08 -0.23 5.19 3.64 -1.11 -2.26 116.57 122.62 1xg1 h LYS 26 Ca 0.19 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1xg1 h LYS 26 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xg1 h LYS 26 CO -0.03 0.33 -0.53 0.00 -2.27 0.00 0.00 179.45 176.96 1xg1 h ALA 27 N 0.74 0.37 -0.51 5.00 0.00 -0.89 -3.17 119.26 120.80 1xg1 h ALA 27 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1xg1 h ALA 27 Cb 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1xg1 h ALA 27 CO 0.00 0.57 0.28 0.78 0.00 0.00 0.00 179.25 180.88 1xg1 h GLY 28 N 0.49 0.72 1.13 0.00 0.00 0.04 -0.25 103.07 105.20 1xg1 h GLY 28 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1xg1 h GLY 28 CO 0.12 0.15 0.20 -2.08 0.00 0.00 0.00 176.54 174.92 1xg1 h VAL 29 N 0.55 1.26 -0.44 4.60 2.07 -1.48 0.84 116.25 123.65 1xg1 h VAL 29 Ca 0.22 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1xg1 h VAL 29 Cb 0.09 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1xg1 h VAL 29 CO -0.13 0.35 -0.12 -0.61 0.02 0.00 0.00 177.57 177.07 1xg1 h GLN 30 N 1.04 0.80 0.10 1.57 4.15 -1.41 -0.68 115.11 120.67 1xg1 h GLN 30 Ca 0.22 -0.28 -0.34 0.00 0.77 0.00 0.00 58.65 59.03 1xg1 h GLN 30 Cb 0.32 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1xg1 h GLN 30 CO -0.00 0.89 -1.87 1.17 -1.93 0.00 0.00 178.83 177.08 1xg1 n LYS 31 N -4.15 0.72 -0.10 1.69 4.81 -0.14 -4.65 118.16 116.34 1xg1 n LYS 31 Ca 0.01 0.32 -0.18 0.00 -0.87 0.00 0.00 58.31 57.59 1xg1 n LYS 31 Cb 0.38 -1.71 -0.09 0.00 0.02 0.00 0.00 35.03 33.62 1xg1 n LYS 31 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xg1 h TYR 32 N -0.13 0.00 0.00 5.64 -1.99 0.62 -3.51 116.97 117.59 1xg1 h TYR 32 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1xg1 h TYR 32 Cb 1.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.63 1xg1 h TYR 32 CO 0.08 1.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.80 1xg1 n GLY 33 N 1.48 3.80 3.62 3.88 0.00 -0.26 -4.96 105.19 112.76 1xg1 n GLY 33 Ca -0.26 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.05 1.60 0.00 1.61 0.28 -1.25 -2.16 120.64 120.67 1xg1 n GLU 34 Ca 0.00 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1xg1 n GLU 34 Cb 0.00 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 1.14 2.58 2.12 -1.84 0.00 -1.26 -4.92 105.19 103.02 1xg1 n GLY 35 Ca 0.08 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.22 5.75 -0.25 1.61 3.02 -0.92 -4.53 115.26 120.16 1xg1 n ASN 36 Ca 0.00 -2.76 -0.01 0.00 -0.03 0.00 0.00 54.58 51.78 1xg1 n ASN 36 Cb 0.00 -1.31 0.19 0.00 -0.61 0.00 0.00 39.78 38.05 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 2.76 1.03 -0.61 3.10 4.06 -1.89 -1.44 115.95 122.96 1xg1 h TRP 37 Ca 0.25 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.14 1xg1 h TRP 37 Cb 1.17 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.96 1xg1 h TRP 37 CO 1.50 0.69 0.15 0.00 -3.56 0.00 0.00 178.44 177.23 1xg1 h ALA 38 N 1.43 1.13 -0.45 1.49 0.00 -1.87 -0.12 119.26 120.87 1xg1 h ALA 38 Ca 0.28 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1xg1 h ALA 38 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xg1 h ALA 38 CO -0.05 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 1xg1 h ALA 39 N 1.27 0.70 -0.24 0.00 0.00 -1.72 -1.61 119.26 117.64 1xg1 h ALA 39 Ca 0.20 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1xg1 h ALA 39 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xg1 h ALA 39 CO -0.00 0.67 -0.14 0.82 0.00 0.00 0.00 179.25 180.60 1xg1 h ILE 40 N 0.82 1.30 -0.16 0.00 2.04 -0.96 -2.17 117.51 118.38 1xg1 h ILE 40 Ca 0.10 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1xg1 h ILE 40 Cb 0.82 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1xg1 h ILE 40 CO 0.07 0.38 -0.17 0.77 0.00 0.00 0.00 178.15 179.20 1xg1 h SER 41 N 0.24 0.26 0.03 1.72 4.64 -1.00 0.15 113.55 119.59 1xg1 h SER 41 Ca 0.05 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xg1 h SER 41 Cb 0.65 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1xg1 h SER 41 CO 0.04 0.45 -0.02 0.50 -0.87 0.00 0.00 176.83 176.93 1xg1 h LYS 42 N 0.25 -0.04 0.01 4.77 3.64 -1.19 -3.37 116.57 120.65 1xg1 h LYS 42 Ca 0.05 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1xg1 h LYS 42 Cb 0.45 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1xg1 h LYS 42 CO 0.03 0.48 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.48 1xg1 h ASN 43 N -0.59 0.24 -3.92 4.20 2.35 -1.34 -3.46 115.58 113.07 1xg1 h ASN 43 Ca -0.00 -0.81 -0.48 0.00 -0.55 0.00 0.00 56.30 54.45 1xg1 h ASN 43 Cb 0.54 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.85 1xg1 h ASN 43 CO 0.01 1.03 0.41 -0.31 -1.65 0.00 0.00 177.43 176.92 1xg1 s TYR 44 N -2.97 3.40 0.00 1.19 1.51 0.52 -4.91 117.35 116.08 1xg1 s TYR 44 Ca -0.16 1.68 -0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1xg1 s TYR 44 Cb 0.01 -3.12 -0.07 0.00 -0.11 0.00 0.00 41.96 38.67 1xg1 s TYR 44 CO 0.75 -0.47 1.32 -0.35 -1.11 0.00 0.00 175.55 175.70 1xg1 n PRO 45 N 0.27 0.60 -2.34 -1.71 -0.04 -1.26 -4.71 135.00 125.81 1xg1 n PRO 45 Ca 0.03 -0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 1xg1 n PRO 45 Cb 0.49 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.97 3.39 -0.04 0.54 0.40 -1.26 -5.03 117.98 117.94 1xg1 s PHE 46 Ca 0.16 1.40 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 1xg1 s PHE 46 Cb 0.08 -3.47 0.01 0.00 0.51 0.00 0.00 43.02 40.15 1xg1 s PHE 46 CO 0.00 -1.33 -0.12 0.54 0.70 0.00 0.00 175.22 175.01 1xg1 s VAL 47 N -0.11 1.04 0.00 -0.44 0.11 -1.26 -4.76 120.40 114.98 1xg1 s VAL 47 Ca 0.53 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1xg1 s VAL 47 Cb -0.34 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1xg1 s VAL 47 CO 0.38 0.32 0.00 0.59 -3.33 0.00 0.00 175.10 173.06 1xg1 n ASN 48 N 3.47 0.00 -4.71 3.54 5.03 -1.26 -4.93 115.26 116.39 1xg1 n ASN 48 Ca -0.20 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.83 1xg1 n ASN 48 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 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 4.51 0.64 3.52 3.00 -1.26 -5.05 118.95 124.30 1xg1 s ARG 49 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 55.73 57.31 1xg1 s ARG 49 Cb 0.00 -3.41 0.08 0.00 0.00 0.00 0.00 34.95 31.62 1xg1 s ARG 49 CO 0.00 -0.14 0.88 0.95 0.00 0.00 0.00 175.30 177.00 1xg1 s THR 50 N 1.02 2.37 0.31 0.02 -4.23 -1.26 -4.95 115.64 108.93 1xg1 s THR 50 Ca 0.55 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 1xg1 s THR 50 Cb -0.25 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1xg1 s THR 50 CO 0.29 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.20 1xg1 h ALA 51 N -0.22 1.28 -0.60 3.99 0.00 -1.97 -1.59 119.26 120.15 1xg1 h ALA 51 Ca -0.39 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1xg1 h ALA 51 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1xg1 h ALA 51 CO 0.46 0.49 0.08 0.28 0.00 0.00 0.00 179.25 180.56 1xg1 h VAL 52 N 0.60 1.25 -0.79 0.00 2.07 -1.94 0.31 116.25 117.75 1xg1 h VAL 52 Ca 0.13 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1xg1 h VAL 52 Cb 0.36 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1xg1 h VAL 52 CO 0.01 0.37 0.37 0.24 0.02 0.00 0.00 177.57 178.58 1xg1 h MET 53 N 0.92 1.15 -0.26 1.57 2.07 -1.73 0.15 114.93 118.80 1xg1 h MET 53 Ca 0.18 -0.18 -0.07 0.00 -2.07 0.00 0.00 59.70 57.57 1xg1 h MET 53 Cb 0.42 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 1xg1 h MET 53 CO 0.01 0.90 -0.10 0.82 1.07 0.00 0.00 176.91 179.60 1xg1 h ILE 54 N 1.12 1.29 -0.31 -1.22 2.04 -0.71 0.50 117.51 120.22 1xg1 h ILE 54 Ca 0.27 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1xg1 h ILE 54 Cb 0.14 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1xg1 h ILE 54 CO -0.03 0.37 -0.07 0.50 0.00 0.00 0.00 178.15 178.92 1xg1 h LYS 55 N 0.27 0.01 -0.30 2.37 3.64 -0.00 0.15 116.57 122.71 1xg1 h LYS 55 Ca 0.06 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1xg1 h LYS 55 Cb 0.60 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1xg1 h LYS 55 CO 0.03 0.01 -0.10 0.22 -2.27 0.00 0.00 179.45 177.34 1xg1 h ASP 56 N 0.01 0.61 -0.98 4.20 3.58 -0.63 -3.20 116.42 120.02 1xg1 h ASP 56 Ca 0.15 -0.38 0.04 0.00 0.42 0.00 0.00 57.03 57.26 1xg1 h ASP 56 Cb 0.23 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.05 1xg1 h ASP 56 CO -0.31 0.86 0.63 -0.09 -2.88 0.00 0.00 179.24 177.45 1xg1 h ARG 57 N 0.36 1.18 -0.45 0.28 9.65 0.70 -2.24 114.38 123.87 1xg1 h ARG 57 Ca 0.07 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1xg1 h ARG 57 Cb 0.61 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1xg1 h ARG 57 CO 0.04 0.78 0.27 2.35 2.80 0.00 0.00 179.97 186.21 1xg1 h TRP 58 N 1.21 0.58 -0.74 2.20 -0.00 -0.72 -0.85 115.95 117.65 1xg1 h TRP 58 Ca 0.40 0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.35 1xg1 h TRP 58 Cb 0.04 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 28.95 1xg1 h TRP 58 CO -0.01 0.40 0.43 -0.09 -0.00 0.00 0.00 178.44 179.18 1xg1 h ARG 59 N 0.59 0.76 -0.66 2.65 2.43 -1.43 -1.17 114.38 117.56 1xg1 h ARG 59 Ca 0.16 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1xg1 h ARG 59 Cb -0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1xg1 h ARG 59 CO -0.03 0.50 0.25 1.79 -1.51 0.00 0.00 179.97 180.97 1xg1 h THR 60 N 0.79 1.24 -0.99 0.20 1.35 -0.89 0.35 112.91 114.95 1xg1 h THR 60 Ca 0.33 -0.78 0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1xg1 h THR 60 Cb 0.19 0.52 -0.05 0.00 -1.73 0.00 0.00 68.15 67.08 1xg1 h THR 60 CO -0.18 0.31 0.66 0.24 -0.25 0.00 0.00 175.52 176.29 1xg1 h MET 61 N 0.93 1.29 -0.40 4.72 2.86 -0.35 -0.22 114.93 123.77 1xg1 h MET 61 Ca 0.22 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1xg1 h MET 61 Cb 0.23 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1xg1 h MET 61 CO -0.01 0.86 -0.34 0.87 1.06 0.00 0.00 176.91 179.34 1xg1 h LYS 62 N 1.33 0.92 -0.40 1.72 1.57 -0.82 0.48 116.57 121.37 1xg1 h LYS 62 Ca 0.37 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xg1 h LYS 62 Cb -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1xg1 h LYS 62 CO -0.08 1.11 0.25 -0.09 -0.57 0.00 0.00 179.45 180.07 1xg1 h ARG 63 N 0.76 0.54 0.00 3.15 2.43 -0.14 -1.97 114.38 119.15 1xg1 h ARG 63 Ca 0.07 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1xg1 h ARG 63 Cb 0.92 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1xg1 h ARG 63 CO 0.09 0.38 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.36 1xg1 h LEU 64 N 0.53 0.00 -0.85 3.80 3.38 -0.98 -3.47 115.31 117.72 1xg1 h LEU 64 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xg1 h LEU 64 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xg1 h LEU 64 CO -0.03 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1xg1 n GLY 65 N -0.01 0.90 2.70 0.83 0.00 0.01 -5.01 105.19 104.61 1xg1 n GLY 65 Ca -0.01 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.42 3.48 0.00 1.61 2.81 -0.32 -5.02 117.12 119.24 1xg1 n MET 66 Ca 0.00 -4.44 0.00 0.00 -1.81 0.00 0.00 57.70 51.45 1xg1 n MET 66 Cb 0.37 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75