#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 7.30 -1.34 1.61 0.01 -1.26 -3.88 113.70 116.14 1xg1 s SER 2 Ca 0.00 1.57 -0.06 0.00 1.31 0.00 0.00 55.95 58.77 1xg1 s SER 2 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1xg1 s SER 2 CO 0.00 -0.15 1.02 1.41 0.41 0.00 0.00 173.24 175.93 1xg1 n HIS 3 N 3.48 -2.43 -2.22 2.43 -0.00 -1.26 -4.92 115.22 110.31 1xg1 n HIS 3 Ca 0.03 0.95 -0.42 0.00 -0.00 0.00 0.00 57.72 58.27 1xg1 n HIS 3 Cb 0.51 -4.76 -0.03 0.00 -0.00 0.00 0.00 29.99 25.71 1xg1 n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1xg1 s MET 4 N -6.04 4.29 -0.07 -0.41 1.00 -1.25 -4.37 119.30 112.45 1xg1 s MET 4 Ca 0.34 1.98 -0.05 0.00 0.00 0.00 0.00 55.69 57.96 1xg1 s MET 4 Cb -0.16 -3.53 0.02 0.00 0.00 0.00 0.00 34.83 31.16 1xg1 s MET 4 CO 0.76 -0.55 0.10 -1.91 0.00 0.00 0.00 175.02 173.42 1xg1 n GLU 5 N 5.17 -3.70 -1.70 2.03 4.07 -1.26 -4.66 120.64 120.59 1xg1 n GLU 5 Ca 0.13 2.85 -0.42 0.00 -0.06 0.00 0.00 57.16 59.66 1xg1 n GLU 5 Cb 0.43 -3.89 -0.03 0.00 -0.06 0.00 0.00 31.44 27.90 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 -0.48 6.40 -1.17 4.31 2.15 -1.26 -2.13 116.67 124.50 1xg1 s ASP 6 Ca -0.12 2.81 -0.04 0.00 0.43 0.00 0.00 52.55 55.63 1xg1 s ASP 6 Cb 0.01 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 1xg1 s ASP 6 CO 0.31 -1.01 0.89 -1.20 -0.17 0.00 0.00 175.17 173.99 1xg1 n SER 7 N 5.33 -3.68 -0.29 -0.34 7.64 -1.26 -4.88 113.62 116.15 1xg1 n SER 7 Ca 0.17 -0.73 0.07 0.00 1.01 0.00 0.00 58.87 59.40 1xg1 n SER 7 Cb 0.37 -4.77 0.18 0.00 -1.01 0.00 0.00 64.21 58.98 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 -1.62 0.23 -3.25 0.44 2.02 -1.70 -3.37 112.91 105.65 1xg1 h THR 8 Ca -0.61 -0.02 -0.48 0.00 0.77 0.00 0.00 66.41 66.07 1xg1 h THR 8 Cb 1.34 0.16 -0.38 0.00 -1.74 0.00 0.00 68.15 67.52 1xg1 h THR 8 CO 0.49 0.01 -0.77 0.42 0.37 0.00 0.00 175.52 176.04 1xg1 s THR 9 N -6.12 0.56 -0.19 3.16 -4.23 -1.26 -5.10 115.64 102.46 1xg1 s THR 9 Ca -0.14 -0.18 -0.35 0.00 -1.18 0.00 0.00 61.69 59.84 1xg1 s THR 9 Cb 0.24 -0.80 0.15 0.00 1.34 0.00 0.00 72.50 73.44 1xg1 s THR 9 CO 0.76 0.13 1.40 0.54 -0.54 0.00 0.00 174.62 176.91 1xg1 s ASN 10 N 1.88 -0.02 0.00 3.99 2.20 -1.26 -5.03 114.94 116.70 1xg1 s ASN 10 Ca 0.03 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.94 1xg1 s ASN 10 Cb -0.14 0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.14 1xg1 s ASN 10 CO -0.07 -0.04 0.49 2.30 -2.94 0.00 0.00 177.10 176.84 1xg1 n ILE 11 N -0.25 0.43 -0.09 0.54 -5.35 -1.19 -3.81 119.36 109.65 1xg1 n ILE 11 Ca -0.02 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.27 1xg1 n ILE 11 Cb 0.60 -0.67 -0.12 0.00 -1.74 0.00 0.00 39.64 37.71 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1xg1 h THR 12 N 0.35 1.30 0.00 7.28 1.35 -1.96 -3.40 112.91 117.83 1xg1 h THR 12 Ca 0.00 -2.26 -0.06 0.00 -0.55 0.00 0.00 66.41 63.54 1xg1 h THR 12 Cb 0.49 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1xg1 h THR 12 CO 0.00 0.45 -2.05 2.29 -0.25 0.00 0.00 175.52 175.96 1xg1 n LYS 13 N -4.50 0.66 -3.61 4.72 0.00 -1.25 -5.04 118.16 109.16 1xg1 n LYS 13 Ca -0.23 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.31 57.88 1xg1 n LYS 13 Cb 0.60 -1.53 -0.02 0.00 -0.00 0.00 0.00 35.03 34.09 1xg1 n LYS 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1xg1 s LYS 14 N -3.34 0.72 0.56 -1.58 -2.85 -1.25 -5.15 119.74 106.84 1xg1 s LYS 14 Ca -0.08 -0.33 -0.21 0.00 -1.00 0.00 0.00 55.97 54.35 1xg1 s LYS 14 Cb 0.13 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1xg1 s LYS 14 CO 0.89 -0.32 1.21 1.04 0.10 0.00 0.00 175.35 178.28 1xg1 n GLN 15 N -0.31 1.39 -2.50 1.78 3.00 -1.26 -3.16 117.38 116.32 1xg1 n GLN 15 Ca -0.06 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 1xg1 n GLN 15 Cb 0.61 -2.41 -0.03 0.00 0.00 0.00 0.00 30.24 28.41 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1xg1 s LYS 16 N -2.81 4.43 -0.13 -1.09 2.47 -1.26 -4.81 119.74 116.54 1xg1 s LYS 16 Ca 0.73 1.66 -0.07 0.00 -1.56 0.00 0.00 55.97 56.73 1xg1 s LYS 16 Cb -0.43 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.47 1xg1 s LYS 16 CO 0.48 -0.28 0.13 -1.58 0.16 0.00 0.00 175.35 174.27 1xg1 s TRP 17 N 1.42 3.54 0.40 4.03 0.52 -1.26 -5.06 118.94 122.53 1xg1 s TRP 17 Ca 0.56 0.48 -0.23 0.00 0.02 0.00 0.00 56.10 56.93 1xg1 s TRP 17 Cb -0.26 -1.95 -0.10 0.00 -1.15 0.00 0.00 33.47 30.01 1xg1 s TRP 17 CO 0.26 0.66 0.97 0.95 0.02 0.00 0.00 176.95 179.82 1xg1 s THR 18 N -0.86 4.16 0.40 2.01 -4.23 -1.26 -4.89 115.64 110.97 1xg1 s THR 18 Ca 0.14 1.52 0.13 0.00 -1.18 0.00 0.00 61.69 62.30 1xg1 s THR 18 Cb -0.12 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.35 1xg1 s THR 18 CO 0.03 -0.13 1.89 1.62 -0.54 0.00 0.00 174.62 177.49 1xg1 h VAL 19 N 2.12 0.79 0.33 2.29 3.04 -1.98 -1.01 116.25 121.83 1xg1 h VAL 19 Ca -0.48 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1xg1 h VAL 19 Cb 1.19 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1xg1 h VAL 19 CO 0.62 0.10 -0.17 -0.08 -1.01 0.00 0.00 177.57 177.02 1xg1 h GLU 20 N 0.52 -0.45 -0.89 4.17 4.81 -1.99 0.22 114.58 120.97 1xg1 h GLU 20 Ca 0.42 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1xg1 h GLU 20 Cb 0.86 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1xg1 h GLU 20 CO -0.17 -0.30 0.52 0.93 -0.73 0.00 0.00 179.01 179.26 1xg1 h GLU 21 N -0.47 1.22 -0.21 1.92 5.08 -1.73 -1.94 114.58 118.45 1xg1 h GLU 21 Ca -0.04 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1xg1 h GLU 21 Cb 0.37 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xg1 h GLU 21 CO 0.06 0.86 -0.20 0.77 -1.00 0.00 0.00 179.01 179.51 1xg1 h SER 22 N 1.23 0.36 0.33 1.42 0.02 -0.99 -2.31 113.55 113.61 1xg1 h SER 22 Ca 0.32 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1xg1 h SER 22 Cb -0.03 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1xg1 h SER 22 CO -0.06 0.57 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.48 1xg1 h GLU 23 N 0.34 0.09 -0.52 3.45 4.39 -0.18 -2.94 114.58 119.21 1xg1 h GLU 23 Ca 0.06 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1xg1 h GLU 23 Cb 0.54 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1xg1 h GLU 23 CO 0.04 0.48 0.15 -1.49 -1.16 0.00 0.00 179.01 177.02 1xg1 h TRP 24 N 0.08 0.85 -0.78 4.33 6.55 -1.04 -1.25 115.95 124.68 1xg1 h TRP 24 Ca 0.01 -0.09 -0.00 0.00 0.95 0.00 0.00 58.89 59.75 1xg1 h TRP 24 Cb 0.74 -0.24 -0.04 0.00 -0.86 0.00 0.00 29.16 28.76 1xg1 h TRP 24 CO 0.00 0.74 0.47 -0.39 -1.05 0.00 0.00 178.44 178.21 1xg1 h VAL 25 N 0.71 1.22 0.03 1.49 -1.51 -1.43 0.36 116.25 117.12 1xg1 h VAL 25 Ca 0.16 -0.48 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1xg1 h VAL 25 Cb 0.30 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1xg1 h VAL 25 CO -0.00 0.23 -0.01 0.50 -1.23 0.00 0.00 177.57 177.05 1xg1 h LYS 26 N 1.08 -0.04 -0.64 5.19 3.64 -1.37 -1.41 116.57 123.02 1xg1 h LYS 26 Ca 0.28 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1xg1 h LYS 26 Cb -0.04 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xg1 h LYS 26 CO -0.05 0.25 0.24 0.00 -2.27 0.00 0.00 179.45 177.61 1xg1 h ALA 27 N 0.64 0.84 -0.72 5.00 0.00 -0.92 -2.64 119.26 121.45 1xg1 h ALA 27 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xg1 h ALA 27 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xg1 h ALA 27 CO 0.01 0.47 0.39 0.78 0.00 0.00 0.00 179.25 180.90 1xg1 h GLY 28 N 0.91 1.07 0.97 0.00 0.00 -0.23 0.30 103.07 106.09 1xg1 h GLY 28 Ca 0.21 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1xg1 h GLY 28 CO -0.01 0.46 0.10 -2.08 0.00 0.00 0.00 176.54 175.00 1xg1 h VAL 29 N 1.01 1.24 -0.22 4.60 2.07 -0.98 0.72 116.25 124.69 1xg1 h VAL 29 Ca 0.25 -0.88 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1xg1 h VAL 29 Cb 0.04 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1xg1 h VAL 29 CO -0.04 0.31 -0.43 -0.61 0.02 0.00 0.00 177.57 176.82 1xg1 h GLN 30 N 0.66 0.68 0.01 1.57 5.75 -1.11 -1.06 115.11 121.60 1xg1 h GLN 30 Ca 0.15 -0.44 -0.04 0.00 -0.15 0.00 0.00 58.65 58.17 1xg1 h GLN 30 Cb 0.36 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1xg1 h GLN 30 CO 0.01 1.06 -0.17 -0.22 -2.65 0.00 0.00 178.83 176.86 1xg1 h LYS 31 N 0.39 0.10 0.00 1.69 3.64 -0.32 -3.41 116.57 118.66 1xg1 h LYS 31 Ca 0.01 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1xg1 h LYS 31 Cb 1.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1xg1 h LYS 31 CO 0.10 0.91 -1.21 0.66 -2.27 0.00 0.00 179.45 177.64 1xg1 n TYR 32 N -4.56 0.51 0.00 1.91 4.02 0.24 -5.06 117.16 114.22 1xg1 n TYR 32 Ca -0.10 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1xg1 n TYR 32 Cb 0.48 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 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 1.46 4.12 3.65 2.72 0.00 -0.41 -4.96 105.19 111.78 1xg1 n GLY 33 Ca -0.24 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.18 2.54 0.00 1.61 0.28 -1.23 -2.25 120.64 121.41 1xg1 n GLU 34 Ca 0.00 0.90 0.00 0.00 -0.16 0.00 0.00 57.16 57.90 1xg1 n GLU 34 Cb 0.00 -2.94 0.00 0.00 1.43 0.00 0.00 31.44 29.93 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 4.73 3.70 2.18 -1.84 0.00 -1.26 -4.98 105.19 107.72 1xg1 n GLY 35 Ca 0.23 -0.64 -0.19 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 0.00 5.86 -0.27 1.61 3.02 -0.95 -4.58 115.26 119.95 1xg1 n ASN 36 Ca 0.00 -2.72 -0.06 0.00 -0.03 0.00 0.00 54.58 51.77 1xg1 n ASN 36 Cb 0.00 -1.37 0.06 0.00 -0.61 0.00 0.00 39.78 37.86 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 3.14 1.06 -0.50 3.10 4.06 -1.90 -0.63 115.95 124.29 1xg1 h TRP 37 Ca 0.30 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.23 1xg1 h TRP 37 Cb 1.18 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.98 1xg1 h TRP 37 CO 1.69 0.77 0.30 0.00 -3.56 0.00 0.00 178.44 177.64 1xg1 h ALA 38 N 1.19 0.63 -0.47 1.49 0.00 -1.88 0.31 119.26 120.54 1xg1 h ALA 38 Ca 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xg1 h ALA 38 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xg1 h ALA 38 CO -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 179.25 179.30 1xg1 h ALA 39 N 1.22 0.62 -0.29 0.00 0.00 -1.87 -1.59 119.26 117.35 1xg1 h ALA 39 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xg1 h ALA 39 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xg1 h ALA 39 CO -0.09 0.33 0.14 0.82 0.00 0.00 0.00 179.25 180.45 1xg1 h ILE 40 N 0.64 1.16 -0.64 0.00 2.04 -0.60 -1.17 117.51 118.93 1xg1 h ILE 40 Ca 0.14 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xg1 h ILE 40 Cb 0.36 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1xg1 h ILE 40 CO 0.01 0.16 0.38 -1.28 0.00 0.00 0.00 178.15 177.42 1xg1 h SER 41 N 0.34 0.77 0.06 1.72 0.87 -0.29 0.34 113.55 117.36 1xg1 h SER 41 Ca 0.10 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1xg1 h SER 41 Cb 0.13 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1xg1 h SER 41 CO -0.01 0.59 -0.03 0.50 -0.53 0.00 0.00 176.83 177.35 1xg1 h LYS 42 N 0.88 -0.08 -0.05 2.24 3.64 -0.95 -3.35 116.57 118.89 1xg1 h LYS 42 Ca 0.23 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 1xg1 h LYS 42 Cb -0.03 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xg1 h LYS 42 CO -0.04 0.35 -0.56 -0.91 -2.27 0.00 0.00 179.45 176.01 1xg1 h ASN 43 N -0.54 0.59 -3.98 4.20 2.35 -1.09 -3.45 115.58 113.66 1xg1 h ASN 43 Ca -0.01 -0.70 -0.47 0.00 -0.55 0.00 0.00 56.30 54.58 1xg1 h ASN 43 Cb 0.47 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1xg1 h ASN 43 CO 0.01 1.20 0.38 -0.31 -1.65 0.00 0.00 177.43 177.06 1xg1 s TYR 44 N -3.47 3.36 0.00 1.19 1.51 0.12 -4.91 117.35 115.15 1xg1 s TYR 44 Ca -0.13 1.66 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 1xg1 s TYR 44 Cb 0.05 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1xg1 s TYR 44 CO 0.83 -0.32 0.89 -0.35 -1.11 0.00 0.00 175.55 175.49 1xg1 n PRO 45 N -0.13 0.41 -2.41 -1.71 -0.04 -1.26 -4.73 135.00 125.13 1xg1 n PRO 45 Ca 0.05 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1xg1 n PRO 45 Cb 0.51 -1.44 -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 1.67 3.32 -0.13 0.54 0.08 -1.26 -5.02 117.98 117.18 1xg1 s PHE 46 Ca 0.06 1.23 0.01 0.00 0.12 0.00 0.00 56.93 58.35 1xg1 s PHE 46 Cb 0.03 -3.45 -0.01 0.00 -0.57 0.00 0.00 43.02 39.02 1xg1 s PHE 46 CO 0.00 -1.42 -0.15 0.54 -0.10 0.00 0.00 175.22 174.08 1xg1 s VAL 47 N 1.47 2.80 0.00 -0.44 0.11 -1.26 -4.70 120.40 118.38 1xg1 s VAL 47 Ca 0.59 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1xg1 s VAL 47 Cb -0.29 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1xg1 s VAL 47 CO 0.27 0.53 0.00 0.59 -3.33 0.00 0.00 175.10 173.16 1xg1 n ASN 48 N 3.62 0.00 -4.70 3.54 5.03 -1.26 -4.91 115.26 116.57 1xg1 n ASN 48 Ca -0.18 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.85 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 4.14 0.61 3.52 3.00 -1.26 -4.99 118.95 123.96 1xg1 s ARG 49 Ca 0.00 2.58 -0.03 0.00 0.00 0.00 0.00 55.73 58.28 1xg1 s ARG 49 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 34.95 31.60 1xg1 s ARG 49 CO 0.00 -0.79 0.87 0.95 0.00 0.00 0.00 175.30 176.33 1xg1 s THR 50 N 2.10 2.72 0.30 0.02 -4.23 -1.26 -4.94 115.64 110.35 1xg1 s THR 50 Ca 0.78 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1xg1 s THR 50 Cb -0.47 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1xg1 s THR 50 CO 0.34 -0.07 1.91 0.00 -0.54 0.00 0.00 174.62 176.26 1xg1 h ALA 51 N -0.19 1.34 -0.62 3.99 0.00 -1.94 -1.54 119.26 120.30 1xg1 h ALA 51 Ca -0.44 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1xg1 h ALA 51 Cb 1.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1xg1 h ALA 51 CO 0.57 0.52 0.15 0.28 0.00 0.00 0.00 179.25 180.76 1xg1 h VAL 52 N 0.93 1.25 -0.68 0.00 2.07 -1.94 0.40 116.25 118.27 1xg1 h VAL 52 Ca 0.23 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1xg1 h VAL 52 Cb 0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1xg1 h VAL 52 CO -0.03 0.34 0.33 0.24 0.02 0.00 0.00 177.57 178.47 1xg1 h MET 53 N 0.93 0.98 -0.31 1.57 2.07 -1.70 0.17 114.93 118.64 1xg1 h MET 53 Ca 0.20 -0.14 -0.07 0.00 -2.07 0.00 0.00 59.70 57.62 1xg1 h MET 53 Cb 0.34 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 1xg1 h MET 53 CO 0.00 0.77 -0.06 0.82 1.07 0.00 0.00 176.91 179.51 1xg1 h ILE 54 N 0.95 1.28 -0.22 -1.22 2.04 -0.71 0.28 117.51 119.90 1xg1 h ILE 54 Ca 0.24 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1xg1 h ILE 54 Cb 0.11 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1xg1 h ILE 54 CO -0.03 0.35 -0.05 0.50 0.00 0.00 0.00 178.15 178.92 1xg1 h LYS 55 N 0.37 0.00 -0.32 2.37 3.64 0.19 1.00 116.57 123.81 1xg1 h LYS 55 Ca 0.08 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1xg1 h LYS 55 Cb 0.54 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1xg1 h LYS 55 CO 0.03 0.00 -0.31 0.22 -2.27 0.00 0.00 179.45 177.12 1xg1 h ASP 56 N 0.00 0.72 -0.90 4.20 3.58 -0.59 -2.69 116.42 120.74 1xg1 h ASP 56 Ca 0.11 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 1xg1 h ASP 56 Cb 0.16 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 1xg1 h ASP 56 CO -0.23 0.98 0.52 -0.09 -2.88 0.00 0.00 179.24 177.54 1xg1 h ARG 57 N 0.59 1.25 -0.34 0.28 9.65 0.41 0.25 114.38 126.46 1xg1 h ARG 57 Ca 0.07 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 1xg1 h ARG 57 Cb 0.83 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1xg1 h ARG 57 CO 0.07 0.89 -0.09 2.35 2.80 0.00 0.00 179.97 186.00 1xg1 h TRP 58 N 1.26 0.74 -0.74 2.20 -0.00 -0.73 -1.74 115.95 116.93 1xg1 h TRP 58 Ca 0.32 -0.16 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1xg1 h TRP 58 Cb -0.01 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 28.93 1xg1 h TRP 58 CO 0.01 0.82 0.48 0.00 -0.00 0.00 0.00 178.44 179.75 1xg1 h ARG 59 N 0.44 0.93 -0.83 2.65 3.08 -1.08 -1.20 114.38 118.38 1xg1 h ARG 59 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1xg1 h ARG 59 Cb 0.59 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1xg1 h ARG 59 CO 0.03 0.62 0.45 1.79 -1.07 0.00 0.00 179.97 181.80 1xg1 h THR 60 N 0.96 1.24 -0.70 2.04 1.35 -0.32 0.15 112.91 117.63 1xg1 h THR 60 Ca 0.28 -0.59 -0.03 0.00 -0.55 0.00 0.00 66.41 65.52 1xg1 h THR 60 Cb -0.06 0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.45 1xg1 h THR 60 CO -0.08 0.27 0.33 0.24 -0.25 0.00 0.00 175.52 176.03 1xg1 h MET 61 N 1.15 1.01 -0.59 4.72 2.86 -0.44 0.09 114.93 123.72 1xg1 h MET 61 Ca 0.29 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1xg1 h MET 61 Cb 0.02 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1xg1 h MET 61 CO -0.05 0.80 0.03 0.87 1.06 0.00 0.00 176.91 179.62 1xg1 h LYS 62 N 0.97 1.02 -0.38 1.72 1.57 -0.54 0.41 116.57 121.35 1xg1 h LYS 62 Ca 0.24 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xg1 h LYS 62 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xg1 h LYS 62 CO -0.03 1.00 0.23 -0.09 -0.57 0.00 0.00 179.45 179.98 1xg1 h ARG 63 N 0.92 0.52 -0.14 3.15 2.43 -0.23 -2.81 114.38 118.22 1xg1 h ARG 63 Ca 0.17 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.10 1xg1 h ARG 63 Cb 0.52 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1xg1 h ARG 63 CO 0.02 0.39 -0.68 -0.07 -1.51 0.00 0.00 179.97 178.13 1xg1 h LEU 64 N 0.50 0.68 0.00 3.80 3.38 -0.84 -3.48 115.31 119.35 1xg1 h LEU 64 Ca 0.14 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xg1 h LEU 64 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xg1 h LEU 64 CO -0.03 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1xg1 n GLY 65 N 0.50 1.08 2.29 0.83 0.00 0.11 -5.02 105.19 104.97 1xg1 n GLY 65 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.06 2.63 0.00 1.61 2.81 0.95 -5.01 117.12 120.06 1xg1 n MET 66 Ca 0.00 -3.27 0.00 0.00 -1.81 0.00 0.00 57.70 52.62 1xg1 n MET 66 Cb 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75