#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 -5.45 -0.03 1.61 7.64 -1.26 -4.89 113.62 111.24 1xg1 n SER 2 Ca 0.00 -0.39 -0.16 0.00 1.01 0.00 0.00 58.87 59.33 1xg1 n SER 2 Cb 0.00 -4.40 -0.08 0.00 -1.01 0.00 0.00 64.21 58.72 1xg1 n SER 2 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1xg1 h HIS 3 N -1.51 0.70 0.00 1.43 2.76 -2.09 -3.45 115.15 112.99 1xg1 h HIS 3 Ca -0.52 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.35 1xg1 h HIS 3 Cb 1.35 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1xg1 h HIS 3 CO 0.57 1.07 0.00 -0.12 -1.30 0.00 0.00 177.93 178.15 1xg1 n MET 4 N -4.24 0.00 -4.56 5.26 0.00 -1.26 -5.10 117.12 107.22 1xg1 n MET 4 Ca -0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.39 1xg1 n MET 4 Cb 0.58 -0.09 -0.16 0.00 0.00 0.00 0.00 33.22 33.56 1xg1 n MET 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1xg1 s GLU 5 N -1.18 1.36 0.00 2.12 2.56 -1.26 -4.99 118.70 117.30 1xg1 s GLU 5 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.97 54.59 1xg1 s GLU 5 Cb 0.00 -1.20 0.05 0.00 2.00 0.00 0.00 34.13 34.98 1xg1 s GLU 5 CO 0.00 0.13 0.83 -3.47 -0.56 0.00 0.00 175.26 172.19 1xg1 n ASP 6 N 3.37 -0.25 -3.33 -1.70 2.03 -1.26 -4.36 116.55 111.06 1xg1 n ASP 6 Ca -0.19 -1.62 -0.22 0.00 0.52 0.00 0.00 54.79 53.28 1xg1 n ASP 6 Cb 0.53 0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 1xg1 n ASP 6 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xg1 s SER 7 N -0.74 1.34 0.18 1.67 1.04 -1.26 -3.96 113.70 111.97 1xg1 s SER 7 Ca 0.04 -2.25 -0.13 0.00 0.48 0.00 0.00 55.95 54.09 1xg1 s SER 7 Cb 0.05 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.43 1xg1 s SER 7 CO -0.02 -0.22 1.82 0.74 0.98 0.00 0.00 173.24 176.54 1xg1 h THR 8 N 4.88 1.07 0.00 2.02 2.02 -1.98 -3.39 112.91 117.53 1xg1 h THR 8 Ca 0.13 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1xg1 h THR 8 Cb 0.99 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1xg1 h THR 8 CO 0.25 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.61 1xg1 n THR 9 N -4.78 0.00 -3.55 3.16 -2.24 -1.26 -5.09 114.28 100.52 1xg1 n THR 9 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1xg1 n THR 9 Cb 0.07 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1xg1 n THR 9 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xg1 s ASN 10 N -1.00 -0.40 -1.28 3.42 3.04 -1.26 -4.97 114.94 112.49 1xg1 s ASN 10 Ca 0.00 0.60 -0.02 0.00 0.04 0.00 0.00 52.86 53.48 1xg1 s ASN 10 Cb 0.00 1.27 0.01 0.00 -1.54 0.00 0.00 41.25 40.99 1xg1 s ASN 10 CO 0.00 -0.09 0.93 -0.38 -3.04 0.00 0.00 177.10 174.52 1xg1 n ILE 11 N 3.95 -4.86 0.03 -5.21 2.08 -1.26 -4.91 119.36 109.18 1xg1 n ILE 11 Ca -0.15 -0.40 0.06 0.00 0.56 0.00 0.00 62.75 62.82 1xg1 n ILE 11 Cb 0.56 -4.34 -0.09 0.00 -0.75 0.00 0.00 39.64 35.02 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1xg1 n THR 12 N -4.33 0.63 0.10 1.39 -1.04 -1.26 -4.47 114.28 105.30 1xg1 n THR 12 Ca -0.23 -0.60 -0.04 0.00 -2.04 0.00 0.00 64.05 61.14 1xg1 n THR 12 Cb 0.65 -0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 1xg1 n THR 12 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1xg1 h LYS 13 N 0.00 -0.26 -5.46 -2.82 1.57 -1.92 -3.39 116.57 104.30 1xg1 h LYS 13 Ca -0.10 0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.11 1xg1 h LYS 13 Cb 1.27 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.54 1xg1 h LYS 13 CO 0.01 -0.17 -0.31 0.21 -0.57 0.00 0.00 179.45 178.63 1xg1 s LYS 14 N -2.87 4.24 -1.17 3.15 2.20 -1.26 -4.53 119.74 119.49 1xg1 s LYS 14 Ca -0.04 0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 1xg1 s LYS 14 Cb 0.00 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1xg1 s LYS 14 CO 0.12 0.17 0.79 1.04 -0.36 0.00 0.00 175.35 177.10 1xg1 n GLN 15 N 3.81 -2.45 -2.57 4.03 1.13 -1.26 -4.91 117.38 115.15 1xg1 n GLN 15 Ca -0.11 0.59 -0.43 0.00 -1.94 0.00 0.00 57.00 55.11 1xg1 n GLN 15 Cb 0.52 -4.79 -0.02 0.00 0.11 0.00 0.00 30.24 26.05 1xg1 n GLN 15 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1xg1 s LYS 16 N -5.64 3.82 -0.01 -1.09 2.36 -1.26 -4.98 119.74 112.94 1xg1 s LYS 16 Ca 0.34 0.81 0.00 0.00 -2.55 0.00 0.00 55.97 54.57 1xg1 s LYS 16 Cb -0.10 -3.87 0.01 0.00 -1.05 0.00 0.00 37.83 32.83 1xg1 s LYS 16 CO 0.82 -1.25 0.01 -1.58 1.55 0.00 0.00 175.35 174.91 1xg1 s TRP 17 N 4.34 0.05 0.62 4.03 0.52 -1.26 -5.12 118.94 122.12 1xg1 s TRP 17 Ca 0.50 0.05 -0.10 0.00 0.02 0.00 0.00 56.10 56.57 1xg1 s TRP 17 Cb -0.10 -0.14 -0.01 0.00 -1.15 0.00 0.00 33.47 32.06 1xg1 s TRP 17 CO 0.27 -0.05 1.00 0.95 0.02 0.00 0.00 176.95 179.13 1xg1 s THR 18 N 0.54 4.18 0.26 2.01 -4.23 -1.26 -4.89 115.64 112.25 1xg1 s THR 18 Ca -0.05 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 1xg1 s THR 18 Cb -0.07 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.35 1xg1 s THR 18 CO -0.01 -0.84 1.89 1.62 -0.54 0.00 0.00 174.62 176.74 1xg1 h VAL 19 N -0.33 1.12 0.08 2.29 3.04 -2.01 -1.62 116.25 118.82 1xg1 h VAL 19 Ca -0.45 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1xg1 h VAL 19 Cb 1.22 -0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1xg1 h VAL 19 CO 0.62 0.22 -0.04 -0.08 -1.01 0.00 0.00 177.57 177.28 1xg1 h GLU 20 N 1.20 -0.10 -0.79 4.17 4.57 -1.99 0.13 114.58 121.77 1xg1 h GLU 20 Ca 0.41 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.64 1xg1 h GLU 20 Cb 0.09 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1xg1 h GLU 20 CO -0.15 -0.03 0.49 0.93 -1.18 0.00 0.00 179.01 179.08 1xg1 h GLU 21 N -0.15 0.91 -0.37 1.92 5.08 -1.86 -1.88 114.58 118.22 1xg1 h GLU 21 Ca -0.01 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1xg1 h GLU 21 Cb 0.12 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xg1 h GLU 21 CO 0.02 0.60 -0.16 0.77 -1.00 0.00 0.00 179.01 179.24 1xg1 h SER 22 N 0.94 0.69 0.22 1.42 0.02 -1.08 -2.67 113.55 113.07 1xg1 h SER 22 Ca 0.33 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1xg1 h SER 22 Cb 0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1xg1 h SER 22 CO -0.14 0.86 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.75 1xg1 h GLU 23 N 0.62 0.18 -0.72 3.45 5.08 -0.26 -2.81 114.58 120.13 1xg1 h GLU 23 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xg1 h GLU 23 Cb 0.62 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1xg1 h GLU 23 CO 0.04 0.50 0.38 -1.49 -1.00 0.00 0.00 179.01 177.44 1xg1 h TRP 24 N 0.16 1.00 -0.59 4.33 6.55 -1.01 -0.96 115.95 125.44 1xg1 h TRP 24 Ca 0.02 -0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.78 1xg1 h TRP 24 Cb 0.68 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.63 1xg1 h TRP 24 CO 0.01 0.72 0.18 -0.39 -1.05 0.00 0.00 178.44 177.91 1xg1 h VAL 25 N 0.99 1.23 -0.13 1.49 -1.51 -1.42 0.36 116.25 117.26 1xg1 h VAL 25 Ca 0.25 -0.79 -0.02 0.00 -1.23 0.00 0.00 66.70 64.91 1xg1 h VAL 25 Cb 0.07 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1xg1 h VAL 25 CO -0.04 0.30 0.00 0.50 -1.23 0.00 0.00 177.57 177.11 1xg1 h LYS 26 N 0.87 0.22 -0.45 5.19 3.64 -1.27 -2.36 116.57 122.40 1xg1 h LYS 26 Ca 0.20 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1xg1 h LYS 26 Cb 0.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1xg1 h LYS 26 CO -0.01 0.46 -0.09 0.00 -2.27 0.00 0.00 179.45 177.54 1xg1 h ALA 27 N 0.75 1.00 -0.95 5.00 0.00 -0.96 -2.96 119.26 121.14 1xg1 h ALA 27 Ca 0.04 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1xg1 h ALA 27 Cb 0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1xg1 h ALA 27 CO 0.01 0.60 0.63 0.78 0.00 0.00 0.00 179.25 181.27 1xg1 h GLY 28 N 0.97 1.36 1.24 0.00 0.00 -0.15 0.35 103.07 106.85 1xg1 h GLY 28 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xg1 h GLY 28 CO 0.04 0.44 0.40 -2.08 0.00 0.00 0.00 176.54 175.34 1xg1 h VAL 29 N 1.24 1.21 0.00 4.60 2.07 -1.25 0.37 116.25 124.50 1xg1 h VAL 29 Ca 0.37 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1xg1 h VAL 29 Cb -0.06 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1xg1 h VAL 29 CO -0.10 0.24 -0.31 -0.61 0.02 0.00 0.00 177.57 176.81 1xg1 h GLN 30 N 1.01 0.20 -0.06 1.57 4.15 -1.33 -2.19 115.11 118.45 1xg1 h GLN 30 Ca 0.26 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1xg1 h GLN 30 Cb 0.02 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1xg1 h GLN 30 CO -0.04 0.96 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.58 1xg1 h LYS 31 N -0.47 0.12 0.00 1.69 3.64 -0.12 -3.40 116.57 118.03 1xg1 h LYS 31 Ca -0.04 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.01 1xg1 h LYS 31 Cb 1.07 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1xg1 h LYS 31 CO 0.06 0.48 -1.95 0.66 -2.27 0.00 0.00 179.45 176.43 1xg1 n TYR 32 N -4.81 0.00 0.00 1.91 4.02 0.13 -5.06 117.16 113.34 1xg1 n TYR 32 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1xg1 n TYR 32 Cb 0.23 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 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 2.10 4.34 3.68 2.72 0.00 -0.81 -4.95 105.19 112.27 1xg1 n GLY 33 Ca -0.33 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.28 2.40 0.00 1.61 2.13 -1.23 -1.62 120.64 122.65 1xg1 n GLU 34 Ca 0.00 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1xg1 n GLU 34 Cb 0.00 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.01 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 3.93 1.59 2.03 8.31 0.00 -1.26 -4.95 105.19 114.84 1xg1 n GLY 35 Ca 0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.05 5.63 -0.19 1.61 3.02 -0.64 -4.52 115.26 120.22 1xg1 n ASN 36 Ca 0.00 -2.68 -0.01 0.00 -0.03 0.00 0.00 54.58 51.85 1xg1 n ASN 36 Cb 0.00 -1.31 0.20 0.00 -0.61 0.00 0.00 39.78 38.07 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 2.58 0.94 -0.25 3.10 4.06 -1.89 -1.03 115.95 123.46 1xg1 h TRP 37 Ca 0.22 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1xg1 h TRP 37 Cb 1.21 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 1xg1 h TRP 37 CO 1.40 0.68 0.16 0.00 -3.56 0.00 0.00 178.44 177.13 1xg1 h ALA 38 N 1.42 0.32 -0.76 1.49 0.00 -1.87 0.29 119.26 120.15 1xg1 h ALA 38 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xg1 h ALA 38 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xg1 h ALA 38 CO -0.03 -0.21 0.33 0.00 0.00 0.00 0.00 179.25 179.34 1xg1 h ALA 39 N 1.09 0.99 -0.35 0.00 0.00 -1.83 0.05 119.26 119.21 1xg1 h ALA 39 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xg1 h ALA 39 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1xg1 h ALA 39 CO -0.02 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.76 1xg1 h ILE 40 N 1.09 1.19 -0.34 0.00 2.04 -0.67 -0.06 117.51 120.76 1xg1 h ILE 40 Ca 0.26 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1xg1 h ILE 40 Cb 0.17 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1xg1 h ILE 40 CO -0.03 0.21 -0.03 -1.28 0.00 0.00 0.00 178.15 177.02 1xg1 h SER 41 N 0.41 0.51 0.07 1.72 0.87 -0.13 0.39 113.55 117.40 1xg1 h SER 41 Ca 0.11 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1xg1 h SER 41 Cb 0.19 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1xg1 h SER 41 CO -0.01 0.60 -0.03 0.50 -0.53 0.00 0.00 176.83 177.36 1xg1 h LYS 42 N 0.52 -0.09 0.01 2.24 3.11 -0.61 -3.37 116.57 118.38 1xg1 h LYS 42 Ca 0.11 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1xg1 h LYS 42 Cb 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1xg1 h LYS 42 CO 0.01 0.29 -0.00 -0.91 -2.81 0.00 0.00 179.45 176.03 1xg1 h ASN 43 N -0.49 -0.01 -3.97 4.20 2.35 -0.90 -3.46 115.58 113.30 1xg1 h ASN 43 Ca -0.01 -0.81 -0.49 0.00 -0.55 0.00 0.00 56.30 54.44 1xg1 h ASN 43 Cb 0.42 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.83 1xg1 h ASN 43 CO 0.02 0.84 0.45 -0.31 -1.65 0.00 0.00 177.43 176.77 1xg1 s TYR 44 N -2.67 3.13 0.00 1.19 1.51 0.14 -4.89 117.35 115.76 1xg1 s TYR 44 Ca -0.17 1.60 -0.01 0.00 -1.01 0.00 0.00 57.07 57.48 1xg1 s TYR 44 Cb -0.02 -3.24 -0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1xg1 s TYR 44 CO 0.64 -0.97 1.11 -0.35 -1.11 0.00 0.00 175.55 174.87 1xg1 n PRO 45 N -0.15 0.50 -2.23 -1.71 -0.04 -1.26 -4.67 135.00 125.43 1xg1 n PRO 45 Ca 0.05 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1xg1 n PRO 45 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.84 2.67 -0.23 0.54 0.08 -1.26 -4.99 117.98 116.63 1xg1 s PHE 46 Ca 0.11 0.74 -0.08 0.00 0.12 0.00 0.00 56.93 57.82 1xg1 s PHE 46 Cb 0.05 -3.67 -0.04 0.00 -0.57 0.00 0.00 43.02 38.80 1xg1 s PHE 46 CO 0.00 -2.53 0.09 0.54 -0.10 0.00 0.00 175.22 173.22 1xg1 s VAL 47 N 3.03 4.73 0.00 -0.44 0.11 -1.26 -4.57 120.40 122.00 1xg1 s VAL 47 Ca 0.63 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1xg1 s VAL 47 Cb -0.29 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1xg1 s VAL 47 CO 0.24 0.37 0.00 0.59 -3.33 0.00 0.00 175.10 172.97 1xg1 n ASN 48 N 4.39 0.00 -4.66 3.54 5.03 -1.26 -4.91 115.26 117.40 1xg1 n ASN 48 Ca -0.16 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.85 1xg1 n ASN 48 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.24 1xg1 n ASN 48 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1xg1 n ARG 49 N 0.00 2.52 -1.95 3.52 3.00 -1.26 -4.98 116.66 117.50 1xg1 n ARG 49 Ca 0.00 0.91 -0.29 0.00 -0.01 0.00 0.00 57.85 58.45 1xg1 n ARG 49 Cb 0.00 -2.89 0.15 0.00 0.00 0.00 0.00 32.46 29.72 1xg1 n ARG 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1xg1 s THR 50 N 4.74 2.01 0.25 0.55 -4.23 -1.26 -4.90 115.64 112.79 1xg1 s THR 50 Ca 0.92 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1xg1 s THR 50 Cb -0.52 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.41 1xg1 s THR 50 CO 0.45 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.24 1xg1 h ALA 51 N -1.39 1.03 -0.67 3.99 0.00 -1.94 -2.15 119.26 118.13 1xg1 h ALA 51 Ca -0.45 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 1xg1 h ALA 51 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1xg1 h ALA 51 CO 0.47 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.78 1xg1 h VAL 52 N 0.68 1.25 -0.70 0.00 2.07 -1.93 0.28 116.25 117.90 1xg1 h VAL 52 Ca 0.12 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1xg1 h VAL 52 Cb 0.57 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1xg1 h VAL 52 CO 0.04 0.34 0.45 0.24 0.02 0.00 0.00 177.57 178.66 1xg1 h MET 53 N 0.99 0.88 -0.30 1.57 2.07 -1.80 0.24 114.93 118.58 1xg1 h MET 53 Ca 0.22 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 57.72 1xg1 h MET 53 Cb 0.31 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 1xg1 h MET 53 CO -0.00 0.58 -0.07 0.82 1.07 0.00 0.00 176.91 179.30 1xg1 h ILE 54 N 0.91 1.28 -0.35 -1.22 2.04 -0.76 0.30 117.51 119.71 1xg1 h ILE 54 Ca 0.27 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1xg1 h ILE 54 Cb -0.05 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1xg1 h ILE 54 CO -0.08 0.36 0.13 0.50 0.00 0.00 0.00 178.15 179.06 1xg1 h LYS 55 N 0.36 0.28 -0.50 2.37 3.64 0.10 0.28 116.57 123.10 1xg1 h LYS 55 Ca 0.08 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1xg1 h LYS 55 Cb 0.56 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1xg1 h LYS 55 CO 0.03 0.18 -0.11 0.22 -2.27 0.00 0.00 179.45 177.50 1xg1 h ASP 56 N 0.29 0.96 -0.94 4.20 1.82 -0.46 -2.94 116.42 119.35 1xg1 h ASP 56 Ca 0.16 -0.36 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1xg1 h ASP 56 Cb 0.12 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 39.83 1xg1 h ASP 56 CO -0.15 1.09 0.59 -0.09 -1.61 0.00 0.00 179.24 179.06 1xg1 h ARG 57 N 0.81 1.26 -0.56 0.28 9.65 0.34 -0.57 114.38 125.58 1xg1 h ARG 57 Ca 0.13 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1xg1 h ARG 57 Cb 0.67 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1xg1 h ARG 57 CO 0.05 0.87 0.37 2.35 2.80 0.00 0.00 179.97 186.40 1xg1 h TRP 58 N 1.29 0.70 -0.46 2.20 -0.00 -0.33 0.14 115.95 119.49 1xg1 h TRP 58 Ca 0.34 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.25 1xg1 h TRP 58 Cb -0.09 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.81 1xg1 h TRP 58 CO 0.00 0.44 0.30 -0.09 -0.00 0.00 0.00 178.44 179.08 1xg1 h ARG 59 N 0.75 0.58 -0.81 2.65 2.43 -1.20 -0.33 114.38 118.46 1xg1 h ARG 59 Ca 0.21 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xg1 h ARG 59 Cb -0.08 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 1xg1 h ARG 59 CO -0.05 0.39 0.38 1.79 -1.51 0.00 0.00 179.97 180.96 1xg1 h THR 60 N 0.60 1.25 -0.31 0.20 1.35 -0.50 -0.46 112.91 115.04 1xg1 h THR 60 Ca 0.17 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1xg1 h THR 60 Cb -0.05 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.58 1xg1 h THR 60 CO -0.05 0.31 0.16 0.24 -0.25 0.00 0.00 175.52 175.93 1xg1 h MET 61 N 1.15 0.45 -0.69 4.72 2.86 -0.15 -1.27 114.93 121.99 1xg1 h MET 61 Ca 0.28 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1xg1 h MET 61 Cb 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1xg1 h MET 61 CO -0.03 0.41 0.39 0.87 1.06 0.00 0.00 176.91 179.60 1xg1 h LYS 62 N 0.38 0.96 -0.51 1.72 1.57 -0.72 0.20 116.57 120.17 1xg1 h LYS 62 Ca 0.11 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xg1 h LYS 62 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1xg1 h LYS 62 CO -0.01 0.72 0.27 -0.09 -0.57 0.00 0.00 179.45 179.76 1xg1 h ARG 63 N 0.95 0.73 0.00 3.15 2.43 -0.82 -1.99 114.38 118.82 1xg1 h ARG 63 Ca 0.24 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1xg1 h ARG 63 Cb 0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1xg1 h ARG 63 CO -0.04 0.58 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.59 1xg1 h LEU 64 N 0.68 0.00 -0.03 3.80 3.38 -0.92 -3.47 115.31 118.75 1xg1 h LEU 64 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1xg1 h LEU 64 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xg1 h LEU 64 CO -0.03 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1xg1 n GLY 65 N -0.34 1.54 2.67 0.83 0.00 0.05 -5.00 105.19 104.94 1xg1 n GLY 65 Ca -0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.86 3.05 0.00 1.61 2.81 0.49 -5.00 117.12 119.22 1xg1 n MET 66 Ca 0.00 -3.14 0.00 0.00 -1.81 0.00 0.00 57.70 52.75 1xg1 n MET 66 Cb 0.11 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75