#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 -0.60 -0.60 1.61 0.15 -1.26 -5.05 113.70 107.95 1xg1 s SER 2 Ca 0.00 1.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.63 1xg1 s SER 2 Cb 0.00 1.18 0.07 0.00 -1.71 0.00 0.00 66.02 65.56 1xg1 s SER 2 CO 0.00 -0.17 2.71 1.41 1.20 0.00 0.00 173.24 178.39 1xg1 n HIS 3 N 3.35 1.76 -3.42 3.44 -0.00 -1.26 -4.73 115.22 114.36 1xg1 n HIS 3 Ca -0.17 -2.08 -0.18 0.00 -0.00 0.00 0.00 57.72 55.29 1xg1 n HIS 3 Cb 0.57 -1.45 0.07 0.00 -0.00 0.00 0.00 29.99 29.18 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 1.00 -4.28 -1.64 -0.41 0.00 -1.26 -4.90 117.12 105.63 1xg1 n MET 4 Ca 0.51 0.79 -0.43 0.00 0.00 0.00 0.00 57.70 58.58 1xg1 n MET 4 Cb 0.50 -5.62 -0.00 0.00 0.00 0.00 0.00 33.22 28.09 1xg1 n MET 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1xg1 n GLU 5 N -3.81 1.68 -1.49 0.03 0.28 -1.26 -4.87 120.64 111.19 1xg1 n GLU 5 Ca -0.19 0.59 -0.28 0.00 -0.16 0.00 0.00 57.16 57.12 1xg1 n GLU 5 Cb 0.65 -2.11 -0.07 0.00 1.43 0.00 0.00 31.44 31.34 1xg1 n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xg1 n ASP 6 N 0.81 6.83 -4.70 -1.84 2.03 -1.26 -4.93 116.55 113.48 1xg1 n ASP 6 Ca 0.07 -2.98 -0.40 0.00 0.52 0.00 0.00 54.79 52.00 1xg1 n ASP 6 Cb 0.36 -1.33 -0.05 0.00 -0.72 0.00 0.00 41.12 39.38 1xg1 n ASP 6 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1xg1 s SER 7 N 0.87 6.95 -0.18 1.67 0.01 -1.26 -4.94 113.70 116.82 1xg1 s SER 7 Ca 0.61 1.15 0.14 0.00 1.31 0.00 0.00 55.95 59.16 1xg1 s SER 7 Cb 0.30 -2.42 -0.21 0.00 0.21 0.00 0.00 66.02 63.90 1xg1 s SER 7 CO -0.13 -0.21 0.02 0.41 0.41 0.00 0.00 173.24 173.74 1xg1 n THR 8 N 4.13 1.24 -1.73 1.44 -1.04 -1.26 -4.94 114.28 112.12 1xg1 n THR 8 Ca 0.00 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.05 60.87 1xg1 n THR 8 Cb 0.50 -0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 68.34 1xg1 n THR 8 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xg1 s THR 9 N -2.44 3.14 0.15 12.58 2.01 -1.26 -4.44 115.64 125.39 1xg1 s THR 9 Ca -0.12 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1xg1 s THR 9 Cb 0.06 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1xg1 s THR 9 CO 0.70 -0.05 0.00 -3.20 -0.69 0.00 0.00 174.62 171.38 1xg1 n ASN 10 N 8.91 -8.93 -2.78 3.53 5.15 -1.26 -5.01 115.26 114.87 1xg1 n ASN 10 Ca 0.23 1.47 -0.02 0.00 -0.60 0.00 0.00 54.58 55.66 1xg1 n ASN 10 Cb 0.43 -4.99 0.07 0.00 -0.53 0.00 0.00 39.78 34.76 1xg1 n ASN 10 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1xg1 n ILE 11 N 1.83 0.93 -0.07 -1.44 5.41 -1.26 -4.92 119.36 119.84 1xg1 n ILE 11 Ca 0.00 -2.48 -0.22 0.00 1.00 0.00 0.00 62.75 61.05 1xg1 n ILE 11 Cb 0.00 1.16 -0.12 0.00 -0.71 0.00 0.00 39.64 39.97 1xg1 n ILE 11 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1xg1 h THR 12 N 4.83 0.88 0.00 1.39 2.02 -1.97 -3.37 112.91 116.68 1xg1 h THR 12 Ca -0.20 -2.24 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 1xg1 h THR 12 Cb 1.27 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1xg1 h THR 12 CO 0.13 0.50 -0.32 0.07 0.37 0.00 0.00 175.52 176.27 1xg1 h LYS 13 N -0.68 0.00 0.00 6.66 2.10 -2.03 -3.48 116.57 119.14 1xg1 h LYS 13 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1xg1 h LYS 13 Cb 1.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1xg1 h LYS 13 CO -0.11 0.32 0.00 0.36 -2.00 0.00 0.00 179.45 178.02 1xg1 n LYS 14 N -4.08 0.00 -2.37 0.07 2.85 -1.26 -4.39 118.16 108.98 1xg1 n LYS 14 Ca -0.02 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 1xg1 n LYS 14 Cb 0.37 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.73 1xg1 n LYS 14 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1xg1 s GLN 15 N 0.00 3.88 -0.05 -1.58 -2.07 -1.26 -4.99 119.66 113.58 1xg1 s GLN 15 Ca 0.00 1.29 -0.16 0.00 -1.82 0.00 0.00 55.36 54.67 1xg1 s GLN 15 Cb 0.00 -3.91 -0.05 0.00 -1.09 0.00 0.00 33.01 27.96 1xg1 s GLN 15 CO 0.00 -1.17 0.44 0.21 -1.32 0.00 0.00 175.29 173.44 1xg1 s LYS 16 N 4.29 4.13 -0.10 9.60 2.47 -1.26 -5.07 119.74 133.80 1xg1 s LYS 16 Ca 0.59 0.42 0.04 0.00 -1.56 0.00 0.00 55.97 55.46 1xg1 s LYS 16 Cb -0.18 -3.32 -0.00 0.00 -1.46 0.00 0.00 37.83 32.87 1xg1 s LYS 16 CO 0.25 0.44 -0.23 -1.58 0.16 0.00 0.00 175.35 174.38 1xg1 s TRP 17 N -0.28 2.58 0.44 4.03 0.52 -1.26 -5.09 118.94 119.88 1xg1 s TRP 17 Ca 0.24 -1.02 -0.19 0.00 0.02 0.00 0.00 56.10 55.15 1xg1 s TRP 17 Cb -0.16 -1.72 -0.10 0.00 -1.15 0.00 0.00 33.47 30.34 1xg1 s TRP 17 CO 0.12 -0.40 0.94 0.95 0.02 0.00 0.00 176.95 178.58 1xg1 s THR 18 N 0.34 4.44 0.30 2.01 -4.23 -1.26 -4.90 115.64 112.34 1xg1 s THR 18 Ca -0.18 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 1xg1 s THR 18 Cb -0.18 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.32 1xg1 s THR 18 CO 0.09 -0.40 1.86 1.62 -0.54 0.00 0.00 174.62 177.25 1xg1 h VAL 19 N 1.67 0.96 -0.30 2.29 3.04 -1.99 -0.15 116.25 121.76 1xg1 h VAL 19 Ca -0.48 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 1xg1 h VAL 19 Cb 1.18 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1xg1 h VAL 19 CO 0.61 0.18 0.15 -0.08 -1.01 0.00 0.00 177.57 177.42 1xg1 h GLU 20 N 0.97 0.42 -0.76 4.17 4.81 -2.00 -0.85 114.58 121.35 1xg1 h GLU 20 Ca 0.46 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1xg1 h GLU 20 Cb 0.43 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1xg1 h GLU 20 CO -0.22 0.39 0.34 0.93 -0.73 0.00 0.00 179.01 179.72 1xg1 h GLU 21 N 0.35 1.09 -0.32 1.92 5.08 -1.71 -2.10 114.58 118.89 1xg1 h GLU 21 Ca 0.10 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1xg1 h GLU 21 Cb 0.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1xg1 h GLU 21 CO -0.01 0.86 -0.05 1.03 -1.00 0.00 0.00 179.01 179.84 1xg1 h SER 22 N 1.08 0.49 -0.35 1.42 0.87 -0.70 -2.41 113.55 113.95 1xg1 h SER 22 Ca 0.26 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1xg1 h SER 22 Cb 0.15 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1xg1 h SER 22 CO -0.03 0.59 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.40 1xg1 h GLU 23 N 0.49 0.81 -0.45 2.24 4.39 -0.50 -2.84 114.58 118.71 1xg1 h GLU 23 Ca 0.10 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1xg1 h GLU 23 Cb 0.39 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1xg1 h GLU 23 CO 0.02 0.90 0.22 -1.49 -1.16 0.00 0.00 179.01 177.49 1xg1 h TRP 24 N 0.72 0.66 -0.51 4.33 6.55 -1.02 0.56 115.95 127.24 1xg1 h TRP 24 Ca 0.12 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.90 1xg1 h TRP 24 Cb 0.64 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.71 1xg1 h TRP 24 CO 0.03 0.53 0.22 -0.39 -1.05 0.00 0.00 178.44 177.79 1xg1 h VAL 25 N 0.59 1.18 -0.09 1.49 -1.51 -1.42 0.36 116.25 116.85 1xg1 h VAL 25 Ca 0.16 -0.54 -0.04 0.00 -1.23 0.00 0.00 66.70 65.04 1xg1 h VAL 25 Cb 0.13 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1xg1 h VAL 25 CO -0.02 0.22 -0.09 0.50 -1.23 0.00 0.00 177.57 176.95 1xg1 h LYS 26 N 0.72 0.22 -0.34 5.19 3.64 -1.21 -3.02 116.57 121.77 1xg1 h LYS 26 Ca 0.18 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1xg1 h LYS 26 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1xg1 h LYS 26 CO -0.02 0.64 -0.16 0.00 -2.27 0.00 0.00 179.45 177.64 1xg1 h ALA 27 N 0.58 0.48 -0.45 5.00 0.00 -0.59 -3.14 119.26 121.14 1xg1 h ALA 27 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xg1 h ALA 27 Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xg1 h ALA 27 CO 0.02 0.40 0.30 0.78 0.00 0.00 0.00 179.25 180.75 1xg1 h GLY 28 N 0.49 0.46 1.37 0.00 0.00 -0.35 0.16 103.07 105.19 1xg1 h GLY 28 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1xg1 h GLY 28 CO 0.05 0.12 -0.11 -2.08 0.00 0.00 0.00 176.54 174.51 1xg1 h VAL 29 N 0.37 1.26 0.12 4.60 2.07 -1.47 0.67 116.25 123.86 1xg1 h VAL 29 Ca 0.20 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.38 1xg1 h VAL 29 Cb 0.30 1.06 0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1xg1 h VAL 29 CO -0.05 0.39 -0.76 -0.61 0.02 0.00 0.00 177.57 176.57 1xg1 h GLN 30 N 0.68 0.31 -0.05 1.57 4.15 -1.31 -2.03 115.11 118.42 1xg1 h GLN 30 Ca 0.12 -0.49 -0.09 0.00 0.77 0.00 0.00 58.65 58.96 1xg1 h GLN 30 Cb 0.58 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1xg1 h GLN 30 CO 0.04 1.21 -0.30 -0.22 -1.93 0.00 0.00 178.83 177.63 1xg1 h LYS 31 N -0.35 0.29 0.00 1.69 3.64 -0.70 -3.41 116.57 117.73 1xg1 h LYS 31 Ca -0.13 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 1xg1 h LYS 31 Cb 1.57 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1xg1 h LYS 31 CO 0.14 0.91 -1.26 0.66 -2.27 0.00 0.00 179.45 177.63 1xg1 n TYR 32 N -4.45 0.19 0.00 1.91 4.02 0.22 -5.06 117.16 113.99 1xg1 n TYR 32 Ca -0.09 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1xg1 n TYR 32 Cb 0.50 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 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 1.44 4.05 3.76 2.72 0.00 -0.33 -4.98 105.19 111.84 1xg1 n GLY 33 Ca -0.22 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.22 2.60 0.00 1.61 0.28 -1.23 -2.57 120.64 121.11 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 -2.64 0.00 0.00 1.43 0.00 0.00 31.44 30.23 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 0.93 2.52 2.04 -1.84 0.00 -1.26 -4.93 105.19 102.65 1xg1 n GLY 35 Ca 0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 0.18 5.85 -0.14 1.61 3.02 -1.06 -4.55 115.26 120.17 1xg1 n ASN 36 Ca 0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 1xg1 n ASN 36 Cb 0.00 -1.25 0.27 0.00 -0.61 0.00 0.00 39.78 38.19 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 2.39 0.82 -0.47 3.10 4.06 -1.90 -1.08 115.95 122.86 1xg1 h TRP 37 Ca 0.24 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.19 1xg1 h TRP 37 Cb 1.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 1xg1 h TRP 37 CO 1.25 0.57 0.30 0.00 -3.56 0.00 0.00 178.44 177.00 1xg1 h ALA 38 N 1.52 0.59 -0.52 1.49 0.00 -1.89 0.85 119.26 121.32 1xg1 h ALA 38 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1xg1 h ALA 38 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xg1 h ALA 38 CO -0.04 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.07 1xg1 h ALA 39 N 1.18 0.71 -0.22 0.00 0.00 -1.83 -1.82 119.26 117.29 1xg1 h ALA 39 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xg1 h ALA 39 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xg1 h ALA 39 CO -0.05 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.81 1xg1 h ILE 40 N 0.89 1.12 -0.50 0.00 2.04 -0.73 -0.95 117.51 119.39 1xg1 h ILE 40 Ca 0.13 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1xg1 h ILE 40 Cb 0.74 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1xg1 h ILE 40 CO 0.06 0.11 0.12 -1.28 0.00 0.00 0.00 178.15 177.16 1xg1 h SER 41 N 0.24 0.69 -0.20 1.72 0.87 -0.80 0.36 113.55 116.44 1xg1 h SER 41 Ca 0.08 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1xg1 h SER 41 Cb 0.08 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1xg1 h SER 41 CO -0.01 0.69 0.07 0.50 -0.53 0.00 0.00 176.83 177.55 1xg1 h LYS 42 N 0.73 0.30 0.00 2.24 3.64 -0.92 -3.35 116.57 119.21 1xg1 h LYS 42 Ca 0.16 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1xg1 h LYS 42 Cb 0.27 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1xg1 h LYS 42 CO -0.00 0.37 -0.32 -0.91 -2.27 0.00 0.00 179.45 176.31 1xg1 h ASN 43 N 0.16 0.00 -3.87 4.20 2.35 -1.00 -3.46 115.58 113.96 1xg1 h ASN 43 Ca 0.06 -0.65 -0.52 0.00 -0.55 0.00 0.00 56.30 54.64 1xg1 h ASN 43 Cb 0.19 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.61 1xg1 h ASN 43 CO -0.00 1.01 0.60 -0.31 -1.65 0.00 0.00 177.43 177.08 1xg1 s TYR 44 N -2.14 3.15 0.00 1.19 1.51 0.12 -4.87 117.35 116.31 1xg1 s TYR 44 Ca -0.18 1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 57.35 1xg1 s TYR 44 Cb -0.00 -3.59 -0.05 0.00 -0.11 0.00 0.00 41.96 38.21 1xg1 s TYR 44 CO 0.52 -1.59 1.04 -0.35 -1.11 0.00 0.00 175.55 174.07 1xg1 n PRO 45 N 0.84 0.42 -2.44 -1.71 -0.04 -1.26 -4.67 135.00 126.13 1xg1 n PRO 45 Ca -0.00 -0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 1xg1 n PRO 45 Cb 0.43 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.23 3.50 -0.11 0.54 0.08 -1.26 -5.03 117.98 117.93 1xg1 s PHE 46 Ca 0.12 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.68 1xg1 s PHE 46 Cb 0.06 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.16 1xg1 s PHE 46 CO 0.00 -0.93 -0.16 0.54 -0.10 0.00 0.00 175.22 174.56 1xg1 s VAL 47 N -0.03 1.59 0.00 -0.44 0.11 -1.26 -4.73 120.40 115.65 1xg1 s VAL 47 Ca 0.52 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1xg1 s VAL 47 Cb -0.31 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1xg1 s VAL 47 CO 0.35 0.46 0.00 0.59 -3.33 0.00 0.00 175.10 173.17 1xg1 n ASN 48 N 4.19 0.00 -4.62 3.54 3.02 -1.26 -4.92 115.26 115.21 1xg1 n ASN 48 Ca -0.19 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 1xg1 n ASN 48 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 3.79 0.83 3.52 3.00 -1.26 -4.99 118.95 123.84 1xg1 s ARG 49 Ca 0.00 1.08 -0.11 0.00 0.00 0.00 0.00 55.73 56.69 1xg1 s ARG 49 Cb 0.00 -3.93 0.12 0.00 0.00 0.00 0.00 34.95 31.15 1xg1 s ARG 49 CO 0.00 -1.29 1.18 0.95 0.00 0.00 0.00 175.30 176.14 1xg1 s THR 50 N 4.72 2.07 0.30 0.02 -4.23 -1.26 -4.86 115.64 112.40 1xg1 s THR 50 Ca 0.57 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1xg1 s THR 50 Cb -0.15 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1xg1 s THR 50 CO 0.27 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.31 1xg1 h ALA 51 N -1.12 1.40 -0.70 3.99 0.00 -1.95 -0.93 119.26 119.95 1xg1 h ALA 51 Ca -0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1xg1 h ALA 51 Cb 1.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1xg1 h ALA 51 CO 0.53 0.55 0.19 0.28 0.00 0.00 0.00 179.25 180.79 1xg1 h VAL 52 N 1.10 1.26 -0.64 0.00 2.07 -1.93 0.43 116.25 118.53 1xg1 h VAL 52 Ca 0.30 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xg1 h VAL 52 Cb -0.11 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1xg1 h VAL 52 CO -0.06 0.36 0.36 0.24 0.02 0.00 0.00 177.57 178.48 1xg1 h MET 53 N 1.05 0.89 -0.27 1.57 2.07 -1.66 0.13 114.93 118.71 1xg1 h MET 53 Ca 0.22 -0.10 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 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 0.67 -0.01 0.82 1.07 0.00 0.00 176.91 179.46 1xg1 h ILE 54 N 0.88 1.26 -0.13 -1.22 2.04 -0.59 0.36 117.51 120.10 1xg1 h ILE 54 Ca 0.23 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.17 1xg1 h ILE 54 Cb 0.04 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1xg1 h ILE 54 CO -0.04 0.30 -0.09 0.50 0.00 0.00 0.00 178.15 178.83 1xg1 h LYS 55 N 0.26 -0.09 -0.65 2.37 3.64 0.20 0.20 116.57 122.50 1xg1 h LYS 55 Ca 0.08 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1xg1 h LYS 55 Cb 0.45 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1xg1 h LYS 55 CO 0.02 -0.06 0.10 0.22 -2.27 0.00 0.00 179.45 177.45 1xg1 h ASP 56 N -0.10 1.04 -0.75 4.20 3.58 -0.70 -2.72 116.42 120.97 1xg1 h ASP 56 Ca 0.08 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1xg1 h ASP 56 Cb 0.21 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1xg1 h ASP 56 CO -0.19 1.04 0.46 -0.09 -2.88 0.00 0.00 179.24 177.58 1xg1 h ARG 57 N 0.99 1.01 -0.65 0.28 9.65 0.41 -1.69 114.38 124.38 1xg1 h ARG 57 Ca 0.20 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1xg1 h ARG 57 Cb 0.45 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 1xg1 h ARG 57 CO 0.01 0.71 0.38 2.35 2.80 0.00 0.00 179.97 186.22 1xg1 h TRP 58 N 1.02 0.88 -0.57 2.20 -0.00 -0.46 -0.13 115.95 118.88 1xg1 h TRP 58 Ca 0.27 -0.01 0.06 0.00 -0.00 0.00 0.00 58.89 59.21 1xg1 h TRP 58 Cb -0.05 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.16 28.77 1xg1 h TRP 58 CO -0.01 0.61 0.28 -0.09 -0.00 0.00 0.00 178.44 179.23 1xg1 h ARG 59 N 0.89 0.51 -0.69 2.65 2.43 -1.10 -0.70 114.38 118.36 1xg1 h ARG 59 Ca 0.23 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1xg1 h ARG 59 Cb 0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1xg1 h ARG 59 CO -0.04 0.34 0.19 1.79 -1.51 0.00 0.00 179.97 180.73 1xg1 h THR 60 N 0.52 1.26 -0.96 0.20 1.35 -0.72 -2.22 112.91 112.33 1xg1 h THR 60 Ca 0.26 -0.92 0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1xg1 h THR 60 Cb 0.21 0.52 -0.05 0.00 -1.73 0.00 0.00 68.15 67.10 1xg1 h THR 60 CO -0.20 0.36 0.64 0.24 -0.25 0.00 0.00 175.52 176.30 1xg1 h MET 61 N 1.04 1.22 -0.68 4.72 2.86 0.13 0.24 114.93 124.46 1xg1 h MET 61 Ca 0.22 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1xg1 h MET 61 Cb 0.33 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1xg1 h MET 61 CO -0.00 0.81 0.17 0.87 1.06 0.00 0.00 176.91 179.81 1xg1 h LYS 62 N 1.26 1.07 -0.36 1.72 1.57 -0.75 -0.02 116.57 121.05 1xg1 h LYS 62 Ca 0.37 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1xg1 h LYS 62 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1xg1 h LYS 62 CO -0.10 0.94 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.45 1xg1 h ARG 63 N 1.02 0.76 0.00 3.15 2.43 -0.66 -2.80 114.38 118.28 1xg1 h ARG 63 Ca 0.21 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1xg1 h ARG 63 Cb 0.35 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1xg1 h ARG 63 CO 0.00 0.95 -0.21 -0.07 -1.51 0.00 0.00 179.97 179.13 1xg1 h LEU 64 N 0.55 0.00 0.00 3.80 3.38 -0.27 -3.46 115.31 119.31 1xg1 h LEU 64 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xg1 h LEU 64 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xg1 h LEU 64 CO 0.05 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1xg1 n GLY 65 N -0.82 0.41 2.75 0.83 0.00 -0.08 -4.97 105.19 103.32 1xg1 n GLY 65 Ca -0.02 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.04 3.20 0.00 1.61 2.00 -0.86 -5.05 117.12 116.98 1xg1 n MET 66 Ca 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 57.70 53.71 1xg1 n MET 66 Cb 0.48 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.42 1xg1 n MET 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24