#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 6.55 0.52 1.61 0.01 -1.26 -5.01 113.70 116.12 1xg1 s SER 2 Ca 0.00 1.76 -0.22 0.00 1.31 0.00 0.00 55.95 58.80 1xg1 s SER 2 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 1xg1 s SER 2 CO 0.00 -0.63 1.29 -1.00 0.41 0.00 0.00 173.24 173.31 1xg1 s HIS 3 N -2.23 2.48 0.00 2.43 0.09 -1.26 -4.08 115.29 112.73 1xg1 s HIS 3 Ca 0.63 1.43 0.00 0.00 -0.00 0.00 0.00 55.06 57.12 1xg1 s HIS 3 Cb -0.12 -3.66 0.00 0.00 -0.00 0.00 0.00 32.58 28.80 1xg1 s HIS 3 CO 0.21 -2.43 0.00 -1.33 -0.00 0.00 0.00 174.74 171.19 1xg1 n MET 4 N -0.85 0.00 -2.51 1.40 0.00 -1.26 -4.55 117.12 109.36 1xg1 n MET 4 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.37 1xg1 n MET 4 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.65 1xg1 n MET 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1xg1 s GLU 5 N 0.00 4.42 0.33 0.03 -1.05 -1.26 -4.91 118.70 116.26 1xg1 s GLU 5 Ca 0.00 1.64 0.04 0.00 -0.15 0.00 0.00 54.97 56.50 1xg1 s GLU 5 Cb 0.00 -3.46 0.58 0.00 -0.44 0.00 0.00 34.13 30.81 1xg1 s GLU 5 CO 0.00 -0.30 1.88 0.22 0.95 0.00 0.00 175.26 178.01 1xg1 h ASP 6 N 7.08 0.54 -6.17 0.83 3.58 -1.80 -3.44 116.42 117.03 1xg1 h ASP 6 Ca -0.38 -0.09 -0.44 0.00 0.42 0.00 0.00 57.03 56.54 1xg1 h ASP 6 Cb 1.19 -0.14 0.02 0.00 1.72 0.00 0.00 39.33 42.12 1xg1 h ASP 6 CO 0.83 0.58 -0.81 -1.54 -2.88 0.00 0.00 179.24 175.42 1xg1 n SER 7 N -4.29 -2.13 -2.77 2.28 3.41 -1.26 -4.45 113.62 104.41 1xg1 n SER 7 Ca 0.02 -0.82 -0.10 0.00 -0.26 0.00 0.00 58.87 57.72 1xg1 n SER 7 Cb 0.23 -3.96 0.08 0.00 -0.26 0.00 0.00 64.21 60.30 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 -4.40 0.04 -1.91 6.66 -1.04 -1.26 -5.12 114.28 107.25 1xg1 n THR 8 Ca -0.21 -1.98 -0.41 0.00 -2.04 0.00 0.00 64.05 59.41 1xg1 n THR 8 Cb 0.64 1.10 -0.02 0.00 -1.82 0.00 0.00 70.33 70.22 1xg1 n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1xg1 s THR 9 N -0.29 2.41 0.00 12.58 -1.32 -1.26 -4.90 115.64 122.86 1xg1 s THR 9 Ca 0.25 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 1xg1 s THR 9 Cb 0.34 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1xg1 s THR 9 CO -0.06 0.05 0.00 -0.46 -2.21 0.00 0.00 174.62 171.94 1xg1 n ASN 10 N 2.36 0.34 -1.71 8.08 2.04 -1.26 -5.01 115.26 120.09 1xg1 n ASN 10 Ca 0.08 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.13 1xg1 n ASN 10 Cb 0.39 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 37.88 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1xg1 n ILE 11 N 0.00 2.84 0.07 1.53 2.08 -1.26 -4.46 119.36 120.15 1xg1 n ILE 11 Ca 0.00 -2.05 -0.22 0.00 0.56 0.00 0.00 62.75 61.04 1xg1 n ILE 11 Cb 0.00 -0.37 -0.15 0.00 -0.75 0.00 0.00 39.64 38.37 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xg1 h THR 12 N 1.64 1.34 -3.60 1.39 2.02 -1.95 -3.47 112.91 110.29 1xg1 h THR 12 Ca 0.33 -2.55 -0.40 0.00 0.77 0.00 0.00 66.41 64.56 1xg1 h THR 12 Cb 2.21 3.06 -0.18 0.00 -1.74 0.00 0.00 68.15 71.49 1xg1 h THR 12 CO 0.69 0.74 -0.76 -1.59 0.37 0.00 0.00 175.52 174.98 1xg1 s LYS 13 N -2.48 1.00 0.07 6.66 0.00 -1.26 -5.10 119.74 118.62 1xg1 s LYS 13 Ca -0.14 -1.23 -0.35 0.00 0.00 0.00 0.00 55.97 54.26 1xg1 s LYS 13 Cb 0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 37.83 36.86 1xg1 s LYS 13 CO 0.85 0.16 1.62 1.63 0.00 0.00 0.00 175.35 179.61 1xg1 n LYS 14 N 0.54 1.94 -0.95 1.78 5.02 -1.26 -4.81 118.16 120.42 1xg1 n LYS 14 Ca -0.16 0.70 -0.21 0.00 -2.02 0.00 0.00 58.31 56.63 1xg1 n LYS 14 Cb 0.57 -2.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.03 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xg1 n GLN 15 N 4.13 2.34 -1.68 1.97 6.02 -1.26 -4.92 117.38 123.96 1xg1 n GLN 15 Ca 0.19 -1.35 -0.45 0.00 -0.01 0.00 0.00 57.00 55.39 1xg1 n GLN 15 Cb 0.27 -2.27 -0.04 0.00 1.02 0.00 0.00 30.24 29.21 1xg1 n GLN 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xg1 n LYS 16 N 3.18 2.36 -3.16 -1.09 5.02 -1.26 -4.95 118.16 118.26 1xg1 n LYS 16 Ca 0.50 0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 57.25 1xg1 n LYS 16 Cb 0.49 -2.66 -0.06 0.00 -0.02 0.00 0.00 35.03 32.78 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 1.41 3.80 0.17 2.13 0.52 -1.26 -5.07 118.94 120.65 1xg1 s TRP 17 Ca 0.79 1.37 -0.07 0.00 0.02 0.00 0.00 56.10 58.21 1xg1 s TRP 17 Cb -0.62 -2.62 -0.06 0.00 -1.15 0.00 0.00 33.47 29.02 1xg1 s TRP 17 CO 0.38 0.49 0.45 0.95 0.02 0.00 0.00 176.95 179.23 1xg1 s THR 18 N -0.82 5.07 0.37 2.01 -4.23 -1.26 -4.96 115.64 111.82 1xg1 s THR 18 Ca 0.32 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 1xg1 s THR 18 Cb -0.20 -3.62 0.34 0.00 1.34 0.00 0.00 72.50 70.35 1xg1 s THR 18 CO 0.21 0.01 1.86 1.62 -0.54 0.00 0.00 174.62 177.78 1xg1 h VAL 19 N 2.09 0.78 0.57 2.29 3.04 -1.97 0.27 116.25 123.32 1xg1 h VAL 19 Ca -0.47 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1xg1 h VAL 19 Cb 1.17 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 1xg1 h VAL 19 CO 0.71 0.11 -0.50 -0.08 -1.01 0.00 0.00 177.57 176.80 1xg1 h GLU 20 N 0.62 -1.02 -0.06 4.17 4.81 -2.00 0.43 114.58 121.53 1xg1 h GLU 20 Ca 0.46 0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 1xg1 h GLU 20 Cb 0.85 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1xg1 h GLU 20 CO -0.21 -0.68 -0.28 0.93 -0.73 0.00 0.00 179.01 178.04 1xg1 h GLU 21 N -1.05 0.11 -0.76 1.92 3.07 -1.89 -2.85 114.58 113.13 1xg1 h GLU 21 Ca -0.07 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 1xg1 h GLU 21 Cb 0.90 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 1xg1 h GLU 21 CO -0.02 0.39 0.25 1.03 -1.40 0.00 0.00 179.01 179.26 1xg1 h SER 22 N 0.10 1.09 -0.48 1.42 0.87 -0.54 -2.61 113.55 113.39 1xg1 h SER 22 Ca 0.01 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 1xg1 h SER 22 Cb 0.56 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1xg1 h SER 22 CO 0.04 0.99 0.02 -0.33 -0.53 0.00 0.00 176.83 177.03 1xg1 h GLU 23 N 1.12 0.89 -0.57 2.24 4.39 -0.68 -2.99 114.58 118.98 1xg1 h GLU 23 Ca 0.25 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1xg1 h GLU 23 Cb 0.28 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1xg1 h GLU 23 CO -0.01 0.87 0.25 -1.49 -1.16 0.00 0.00 179.01 177.47 1xg1 h TRP 24 N 0.83 0.85 -0.98 4.33 6.55 -1.40 -2.33 115.95 123.80 1xg1 h TRP 24 Ca 0.16 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 59.95 1xg1 h TRP 24 Cb 0.46 -0.26 -0.05 0.00 -0.86 0.00 0.00 29.16 28.45 1xg1 h TRP 24 CO 0.03 0.67 0.63 -0.39 -1.05 0.00 0.00 178.44 178.34 1xg1 h VAL 25 N 0.78 1.26 -0.38 1.49 -1.51 -1.34 0.29 116.25 116.84 1xg1 h VAL 25 Ca 0.19 -0.48 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1xg1 h VAL 25 Cb 0.17 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.14 1xg1 h VAL 25 CO -0.02 0.25 0.09 0.50 -1.23 0.00 0.00 177.57 177.16 1xg1 h LYS 26 N 1.33 0.62 -0.26 5.19 3.64 -1.40 -2.02 116.57 123.66 1xg1 h LYS 26 Ca 0.36 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1xg1 h LYS 26 Cb -0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1xg1 h LYS 26 CO -0.07 0.66 -0.19 0.00 -2.27 0.00 0.00 179.45 177.58 1xg1 h ALA 27 N 0.94 0.37 -0.77 5.00 0.00 -1.05 -3.07 119.26 120.68 1xg1 h ALA 27 Ca 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xg1 h ALA 27 Cb 0.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1xg1 h ALA 27 CO 0.00 0.30 0.50 0.78 0.00 0.00 0.00 179.25 180.83 1xg1 h GLY 28 N 0.31 1.11 1.13 0.00 0.00 -0.37 0.52 103.07 105.77 1xg1 h GLY 28 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1xg1 h GLY 28 CO 0.05 0.33 0.45 -2.08 0.00 0.00 0.00 176.54 175.30 1xg1 h VAL 29 N 0.98 1.24 -0.14 4.60 2.07 -1.38 0.61 116.25 124.23 1xg1 h VAL 29 Ca 0.30 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1xg1 h VAL 29 Cb -0.02 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1xg1 h VAL 29 CO -0.10 0.27 -0.19 -0.61 0.02 0.00 0.00 177.57 176.95 1xg1 h GLN 30 N 1.15 0.39 0.08 1.57 5.75 -1.30 -0.74 115.11 122.00 1xg1 h GLN 30 Ca 0.29 -0.22 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 1xg1 h GLN 30 Cb 0.02 0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.60 1xg1 h GLN 30 CO -0.05 0.80 -0.57 -0.22 -2.65 0.00 0.00 178.83 176.15 1xg1 h LYS 31 N 0.00 0.24 0.15 1.69 3.64 -0.71 -3.39 116.57 118.20 1xg1 h LYS 31 Ca 0.02 -0.37 -0.36 0.00 -1.27 0.00 0.00 60.65 58.67 1xg1 h LYS 31 Cb 0.75 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1xg1 h LYS 31 CO 0.05 1.14 -1.90 1.88 -2.27 0.00 0.00 179.45 178.35 1xg1 h TYR 32 N -0.47 0.58 0.00 1.91 -1.99 0.08 -3.51 116.97 113.58 1xg1 h TYR 32 Ca -0.09 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1xg1 h TYR 32 Cb 1.40 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1xg1 h TYR 32 CO 0.20 1.75 0.00 0.41 -0.00 0.00 0.00 178.16 180.52 1xg1 n GLY 33 N 1.94 2.79 3.63 3.88 0.00 -0.29 -4.88 105.19 112.27 1xg1 n GLY 33 Ca -0.29 -1.39 -0.50 0.00 0.00 0.00 0.00 46.02 43.83 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 1.47 1.53 0.00 1.61 2.13 -1.17 -2.35 120.64 123.87 1xg1 n GLU 34 Ca 0.00 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1xg1 n GLU 34 Cb 0.00 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.46 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 3.06 1.84 2.13 8.31 0.00 -1.26 -4.97 105.19 114.30 1xg1 n GLY 35 Ca 0.19 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 0.01 5.71 -0.20 1.61 3.02 -0.99 -4.57 115.26 119.85 1xg1 n ASN 36 Ca 0.00 -2.65 -0.07 0.00 -0.03 0.00 0.00 54.58 51.83 1xg1 n ASN 36 Cb 0.00 -1.39 0.03 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 3.12 0.75 -0.27 3.10 4.06 -1.89 -1.29 115.95 123.52 1xg1 h TRP 37 Ca 0.27 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.24 1xg1 h TRP 37 Cb 1.27 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 1xg1 h TRP 37 CO 1.72 0.50 0.16 0.00 -3.56 0.00 0.00 178.44 177.27 1xg1 h ALA 38 N 1.18 0.34 -0.72 1.49 0.00 -1.84 -0.21 119.26 119.50 1xg1 h ALA 38 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xg1 h ALA 38 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1xg1 h ALA 38 CO -0.04 -0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.46 1xg1 h ALA 39 N 1.12 0.92 -0.46 0.00 0.00 -1.87 0.28 119.26 119.25 1xg1 h ALA 39 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xg1 h ALA 39 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xg1 h ALA 39 CO -0.04 0.29 0.28 0.82 0.00 0.00 0.00 179.25 180.60 1xg1 h ILE 40 N 0.94 1.14 -0.63 0.00 2.04 -0.78 -0.99 117.51 119.22 1xg1 h ILE 40 Ca 0.27 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1xg1 h ILE 40 Cb -0.06 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1xg1 h ILE 40 CO -0.08 0.14 0.18 -1.28 0.00 0.00 0.00 178.15 177.12 1xg1 h SER 41 N 0.62 0.90 -0.25 1.72 0.87 -0.51 0.35 113.55 117.26 1xg1 h SER 41 Ca 0.17 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1xg1 h SER 41 Cb -0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1xg1 h SER 41 CO -0.03 0.86 0.02 0.11 -0.53 0.00 0.00 176.83 177.25 1xg1 h LYS 42 N 0.93 0.43 0.10 2.24 1.79 -0.49 -3.34 116.57 118.23 1xg1 h LYS 42 Ca 0.21 -0.13 -0.19 0.00 -2.18 0.00 0.00 60.65 58.36 1xg1 h LYS 42 Cb 0.29 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1xg1 h LYS 42 CO -0.01 0.58 -0.93 -0.91 -1.08 0.00 0.00 179.45 177.10 1xg1 h ASN 43 N 0.22 0.35 -4.00 0.86 2.35 -1.09 -3.47 115.58 110.80 1xg1 h ASN 43 Ca 0.07 -0.90 -0.47 0.00 -0.55 0.00 0.00 56.30 54.45 1xg1 h ASN 43 Cb 0.38 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1xg1 h ASN 43 CO 0.01 1.42 0.39 -0.31 -1.65 0.00 0.00 177.43 177.29 1xg1 s TYR 44 N -2.41 3.24 0.00 1.19 1.51 0.12 -4.91 117.35 116.09 1xg1 s TYR 44 Ca -0.17 1.63 -0.02 0.00 -1.01 0.00 0.00 57.07 57.50 1xg1 s TYR 44 Cb 0.02 -3.06 -0.08 0.00 -0.11 0.00 0.00 41.96 38.73 1xg1 s TYR 44 CO 0.77 -0.55 1.49 -0.35 -1.11 0.00 0.00 175.55 175.81 1xg1 n PRO 45 N -0.32 0.70 -2.37 -1.71 -0.04 -1.26 -4.71 135.00 125.28 1xg1 n PRO 45 Ca 0.06 -0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 1xg1 n PRO 45 Cb 0.51 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.86 3.12 -0.08 0.54 0.40 -1.26 -5.02 117.98 117.54 1xg1 s PHE 46 Ca 0.19 1.10 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 1xg1 s PHE 46 Cb 0.09 -3.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.11 1xg1 s PHE 46 CO 0.00 -1.69 -0.23 0.54 0.70 0.00 0.00 175.22 174.54 1xg1 s VAL 47 N 2.07 2.23 0.00 -0.44 0.11 -1.26 -4.68 120.40 118.42 1xg1 s VAL 47 Ca 0.59 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1xg1 s VAL 47 Cb -0.28 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1xg1 s VAL 47 CO 0.25 0.56 0.00 0.59 -3.33 0.00 0.00 175.10 173.17 1xg1 n ASN 48 N 3.23 0.00 -4.65 3.54 3.02 -1.26 -4.90 115.26 114.24 1xg1 n ASN 48 Ca -0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.94 1xg1 n ASN 48 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 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 4.08 0.84 3.52 3.00 -1.26 -4.92 118.95 124.21 1xg1 s ARG 49 Ca 0.00 1.64 -0.07 0.00 0.00 0.00 0.00 55.73 57.30 1xg1 s ARG 49 Cb 0.00 -3.87 0.17 0.00 0.00 0.00 0.00 34.95 31.26 1xg1 s ARG 49 CO 0.00 -0.92 1.16 0.95 0.00 0.00 0.00 175.30 176.49 1xg1 s THR 50 N 4.05 2.03 0.18 0.02 -4.23 -1.26 -4.89 115.64 111.55 1xg1 s THR 50 Ca 0.60 -0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1xg1 s THR 50 Cb -0.23 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1xg1 s THR 50 CO 0.21 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.97 1xg1 h ALA 51 N -1.07 0.82 -0.67 3.99 0.00 -1.93 -1.81 119.26 118.59 1xg1 h ALA 51 Ca -0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1xg1 h ALA 51 Cb 1.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xg1 h ALA 51 CO 0.36 0.55 0.30 0.28 0.00 0.00 0.00 179.25 180.74 1xg1 h VAL 52 N 0.92 1.22 -0.59 0.00 2.07 -1.94 0.18 116.25 118.12 1xg1 h VAL 52 Ca 0.19 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1xg1 h VAL 52 Cb 0.38 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1xg1 h VAL 52 CO 0.01 0.27 0.31 0.24 0.02 0.00 0.00 177.57 178.41 1xg1 h MET 53 N 0.95 0.83 -0.39 1.57 2.07 -1.80 0.28 114.93 118.44 1xg1 h MET 53 Ca 0.23 -0.11 -0.04 0.00 -2.07 0.00 0.00 59.70 57.71 1xg1 h MET 53 Cb 0.13 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 29.69 1xg1 h MET 53 CO -0.03 0.65 0.07 0.82 1.07 0.00 0.00 176.91 179.50 1xg1 h ILE 54 N 0.80 1.24 -0.28 -1.22 2.04 -0.55 0.58 117.51 120.12 1xg1 h ILE 54 Ca 0.21 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1xg1 h ILE 54 Cb 0.07 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1xg1 h ILE 54 CO -0.03 0.29 0.09 0.50 0.00 0.00 0.00 178.15 179.00 1xg1 h LYS 55 N 0.49 0.20 -0.43 2.37 3.64 -0.23 0.18 116.57 122.80 1xg1 h LYS 55 Ca 0.12 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 1xg1 h LYS 55 Cb 0.35 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1xg1 h LYS 55 CO 0.01 0.14 -0.16 0.22 -2.27 0.00 0.00 179.45 177.38 1xg1 h ASP 56 N 0.21 0.82 -0.53 4.20 3.58 -0.28 -3.09 116.42 121.33 1xg1 h ASP 56 Ca 0.13 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.32 1xg1 h ASP 56 Cb 0.10 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1xg1 h ASP 56 CO -0.14 0.98 0.34 -0.09 -2.88 0.00 0.00 179.24 177.45 1xg1 h ARG 57 N 0.72 0.67 -0.53 0.28 9.65 0.10 -0.90 114.38 124.38 1xg1 h ARG 57 Ca 0.11 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 1xg1 h ARG 57 Cb 0.67 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1xg1 h ARG 57 CO 0.05 0.44 0.32 2.35 2.80 0.00 0.00 179.97 185.93 1xg1 h TRP 58 N 0.69 0.60 -0.74 2.20 -0.00 -0.92 0.33 115.95 118.11 1xg1 h TRP 58 Ca 0.20 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.13 1xg1 h TRP 58 Cb -0.05 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 28.87 1xg1 h TRP 58 CO -0.05 0.35 0.48 -0.09 -0.00 0.00 0.00 178.44 179.13 1xg1 h ARG 59 N 0.64 0.93 -0.36 2.65 2.43 -1.40 -1.74 114.38 117.54 1xg1 h ARG 59 Ca 0.21 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1xg1 h ARG 59 Cb 0.01 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1xg1 h ARG 59 CO -0.09 0.61 -0.26 1.79 -1.51 0.00 0.00 179.97 180.52 1xg1 h THR 60 N 0.96 1.27 -0.60 0.20 1.35 -0.35 -2.12 112.91 113.62 1xg1 h THR 60 Ca 0.29 -1.37 0.03 0.00 -0.55 0.00 0.00 66.41 64.80 1xg1 h THR 60 Cb -0.04 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 67.62 1xg1 h THR 60 CO -0.09 0.45 0.37 0.24 -0.25 0.00 0.00 175.52 176.25 1xg1 h MET 61 N 0.63 0.71 -0.61 4.72 2.86 0.30 0.22 114.93 123.76 1xg1 h MET 61 Ca 0.08 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1xg1 h MET 61 Cb 0.76 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1xg1 h MET 61 CO 0.06 0.47 0.18 0.87 1.06 0.00 0.00 176.91 179.55 1xg1 h LYS 62 N 0.73 0.96 -0.17 1.72 1.57 -1.21 0.15 116.57 120.32 1xg1 h LYS 62 Ca 0.24 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1xg1 h LYS 62 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xg1 h LYS 62 CO -0.10 0.86 0.07 -0.09 -0.57 0.00 0.00 179.45 179.63 1xg1 h ARG 63 N 0.88 0.25 0.00 3.15 2.43 -0.67 -2.69 114.38 117.74 1xg1 h ARG 63 Ca 0.20 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1xg1 h ARG 63 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xg1 h ARG 63 CO -0.00 0.32 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.45 1xg1 h LEU 64 N 0.13 0.00 -0.49 3.80 3.38 -0.46 -3.47 115.31 118.20 1xg1 h LEU 64 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xg1 h LEU 64 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xg1 h LEU 64 CO -0.01 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1xg1 n GLY 65 N -0.31 0.99 0.00 0.83 0.00 -0.20 -4.98 105.19 101.52 1xg1 n GLY 65 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.31 1.45 0.00 1.61 2.00 0.37 -5.03 117.12 117.21 1xg1 n MET 66 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 57.70 56.76 1xg1 n MET 66 Cb 0.26 -0.89 0.52 0.00 0.00 0.00 0.00 33.22 33.11 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24