#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqq s GLN 2 N 0.00 3.75 0.32 3.17 0.74 -1.26 -0.97 119.66 125.41 1xqq s GLN 2 Ca 0.00 -0.44 0.10 0.00 0.05 0.00 0.00 55.36 55.06 1xqq s GLN 2 Cb 0.00 -3.25 -0.06 0.00 1.10 0.00 0.00 33.01 30.81 1xqq s GLN 2 CO 0.00 -0.01 -0.07 0.96 -0.55 0.00 0.00 175.29 175.62 1xqq s ILE 3 N 1.12 2.51 -0.11 -2.34 -4.36 0.13 -1.25 121.20 116.89 1xqq s ILE 3 Ca 0.04 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1xqq s ILE 3 Cb -0.14 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.96 1xqq s ILE 3 CO 0.03 -0.25 -0.01 -0.36 0.24 0.00 0.00 174.94 174.59 1xqq s PHE 4 N -2.54 0.97 -0.22 1.37 0.08 -1.16 -1.42 117.98 115.06 1xqq s PHE 4 Ca 0.33 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1xqq s PHE 4 Cb -0.01 -0.97 0.04 0.00 -0.57 0.00 0.00 43.02 41.52 1xqq s PHE 4 CO 0.17 -0.44 -0.14 0.08 -0.10 0.00 0.00 175.22 174.79 1xqq s VAL 5 N 1.88 2.04 -0.06 -0.44 1.01 -0.63 -0.36 120.40 123.83 1xqq s VAL 5 Ca 0.03 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.59 1xqq s VAL 5 Cb -0.13 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1xqq s VAL 5 CO -0.07 0.20 0.35 -0.54 0.00 0.00 0.00 175.10 175.05 1xqq s LYS 6 N 1.22 3.97 0.00 2.72 1.02 -0.63 0.11 119.74 128.15 1xqq s LYS 6 Ca -0.03 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1xqq s LYS 6 Cb -0.17 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1xqq s LYS 6 CO -0.08 0.55 0.00 0.25 -0.92 0.00 0.00 175.35 175.14 1xqq n THR 7 N 2.42 0.00 0.09 2.17 -2.24 -0.40 -0.78 114.28 115.55 1xqq n THR 7 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1xqq n THR 7 Cb 0.53 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 66.71 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 -0.27 0.72 3.22 3.38 -1.89 -3.42 115.31 117.05 1xqq h LEU 8 Ca 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1xqq h LEU 8 Cb 0.00 0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xqq h LEU 8 CO 0.00 0.24 -0.34 0.71 0.09 0.00 0.00 178.44 179.14 1xqq h THR 9 N -0.98 0.00 0.00 0.22 1.35 -1.96 -3.47 112.91 108.08 1xqq h THR 9 Ca -0.03 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1xqq h THR 9 Cb 0.45 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1xqq h THR 9 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1xqq n GLY 10 N -1.27 0.00 3.37 5.82 0.00 -1.26 -5.16 105.19 106.68 1xqq n GLY 10 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 2.19 -0.24 1.61 1.02 -1.26 -5.00 119.74 118.06 1xqq s LYS 11 Ca 0.00 -0.88 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 1xqq s LYS 11 Cb 0.00 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1xqq s LYS 11 CO 0.00 0.57 -0.10 0.99 -0.92 0.00 0.00 175.35 175.89 1xqq s THR 12 N -0.68 2.57 -0.21 2.17 2.01 -1.26 -1.27 115.64 118.96 1xqq s THR 12 Ca 0.11 -1.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 1xqq s THR 12 Cb -0.10 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1xqq s THR 12 CO 0.00 0.22 0.23 -0.63 -0.69 0.00 0.00 174.62 173.75 1xqq s ILE 13 N 1.27 5.32 -0.11 1.82 1.01 0.30 -4.92 121.20 125.89 1xqq s ILE 13 Ca -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 1xqq s ILE 13 Cb -0.17 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1xqq s ILE 13 CO -0.06 0.34 0.27 -0.89 0.00 0.00 0.00 174.94 174.59 1xqq s THR 14 N 0.95 5.30 0.17 2.92 2.01 -1.26 -1.60 115.64 124.12 1xqq s THR 14 Ca 0.12 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.70 1xqq s THR 14 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1xqq s THR 14 CO 0.04 0.51 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.55 1xqq s LEU 15 N -0.36 2.45 -0.09 4.42 1.43 -0.51 -5.01 118.68 121.02 1xqq s LEU 15 Ca 0.17 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1xqq s LEU 15 Cb -0.13 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 1xqq s LEU 15 CO 0.06 -0.06 -0.22 -1.61 0.23 0.00 0.00 176.35 174.75 1xqq s GLU 16 N -2.89 2.91 0.17 1.70 2.02 -1.26 -0.69 118.70 120.65 1xqq s GLU 16 Ca 0.16 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1xqq s GLU 16 Cb -0.05 -2.32 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 1xqq s GLU 16 CO 0.06 0.28 0.32 0.14 0.02 0.00 0.00 175.26 176.08 1xqq s VAL 17 N 0.11 0.06 0.05 2.63 -7.23 -0.14 -4.99 120.40 110.89 1xqq s VAL 17 Ca -0.11 -1.29 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1xqq s VAL 17 Cb -0.16 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1xqq s VAL 17 CO 0.06 -0.28 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.74 1xqq s GLU 18 N -3.95 1.91 0.47 4.82 2.02 -1.26 -1.04 118.70 121.66 1xqq s GLU 18 Ca 0.16 -1.07 0.25 0.00 0.02 0.00 0.00 54.97 54.33 1xqq s GLU 18 Cb 0.03 -2.08 1.09 0.00 0.10 0.00 0.00 34.13 33.26 1xqq s GLU 18 CO -0.01 0.52 1.90 -1.00 0.02 0.00 0.00 175.26 176.69 1xqq h PRO 19 N 4.56 0.00 0.00 0.39 0.13 -1.95 -1.52 132.00 133.61 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xqq h PRO 19 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xqq h PRO 19 CO 0.45 0.19 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1xqq n SER 20 N -3.45 0.00 -4.88 1.44 3.41 -1.26 -1.88 113.62 107.00 1xqq n SER 20 Ca -0.00 -0.82 -0.31 0.00 -0.26 0.00 0.00 58.87 57.48 1xqq n SER 20 Cb 0.37 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.05 6.55 0.86 4.04 1.01 -0.58 -4.83 116.67 121.67 1xqq s ASP 21 Ca 0.41 0.89 -0.12 0.00 0.71 0.00 0.00 52.55 54.44 1xqq s ASP 21 Cb 0.20 -2.21 0.14 0.00 1.01 0.00 0.00 42.92 42.05 1xqq s ASP 21 CO 0.34 -0.17 1.20 0.42 0.21 0.00 0.00 175.17 177.18 1xqq s THR 22 N -1.99 2.06 0.29 -1.27 -4.23 -1.26 -1.26 115.64 107.98 1xqq s THR 22 Ca 0.47 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1xqq s THR 22 Cb -0.11 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1xqq s THR 22 CO 0.26 0.00 1.70 0.40 -0.54 0.00 0.00 174.62 176.43 1xqq h ILE 23 N -1.22 1.32 -0.31 2.99 1.08 -1.42 -2.76 117.51 117.19 1xqq h ILE 23 Ca -0.44 -1.55 0.06 0.00 -0.39 0.00 0.00 64.86 62.54 1xqq h ILE 23 Cb 1.27 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.73 1xqq h ILE 23 CO 0.48 0.46 0.22 -0.08 -0.69 0.00 0.00 178.15 178.54 1xqq h GLU 24 N 0.18 0.14 0.00 2.37 4.81 -1.78 -0.97 114.58 119.33 1xqq h GLU 24 Ca 0.01 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 0.83 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1xqq h GLU 24 CO 0.07 0.09 -0.84 -0.91 -0.73 0.00 0.00 179.01 176.69 1xqq h ASN 25 N 0.15 0.04 0.15 1.04 4.21 -1.82 0.21 115.58 119.55 1xqq h ASN 25 Ca 0.14 -0.03 -0.26 0.00 1.21 0.00 0.00 56.30 57.36 1xqq h ASN 25 Cb 0.38 -0.01 0.02 0.00 -1.12 0.00 0.00 38.32 37.58 1xqq h ASN 25 CO -0.02 0.86 -1.07 0.58 -1.29 0.00 0.00 177.43 176.49 1xqq h VAL 26 N 0.01 1.32 0.73 2.81 2.07 -1.21 -0.39 116.25 121.60 1xqq h VAL 26 Ca -0.01 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.09 1xqq h VAL 26 Cb 1.48 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1xqq h VAL 26 CO 0.11 0.72 -0.35 0.11 0.02 0.00 0.00 177.57 178.18 1xqq h LYS 27 N 0.31 -0.95 -0.75 1.57 1.57 -1.08 -0.49 116.57 116.76 1xqq h LYS 27 Ca -0.13 0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1xqq h LYS 27 Cb 1.72 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 34.12 1xqq h LYS 27 CO 0.20 -0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 178.43 1xqq h ALA 28 N -0.77 0.74 -0.00 3.86 0.00 -1.02 -1.29 119.26 120.77 1xqq h ALA 28 Ca -0.10 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1xqq h ALA 28 Cb 0.77 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xqq h ALA 28 CO 0.17 -0.42 -0.76 0.87 0.00 0.00 0.00 179.25 179.10 1xqq h LYS 29 N 0.08 0.02 0.31 0.00 1.57 -0.87 -1.78 116.57 115.90 1xqq h LYS 29 Ca 0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1xqq h LYS 29 Cb 0.70 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1xqq h LYS 29 CO -0.68 0.77 -0.34 0.82 -0.57 0.00 0.00 179.45 179.45 1xqq h ILE 30 N 0.01 0.29 -0.85 1.86 2.04 -0.74 -3.10 117.51 117.03 1xqq h ILE 30 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 1xqq h ILE 30 Cb 1.35 0.29 -0.14 0.00 -0.74 0.00 0.00 36.82 37.58 1xqq h ILE 30 CO 0.10 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.80 1xqq h GLN 31 N -0.69 0.16 -0.54 2.37 4.15 -1.01 0.30 115.11 119.86 1xqq h GLN 31 Ca -0.01 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1xqq h GLN 31 Cb 0.64 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 1xqq h GLN 31 CO -0.09 0.11 0.36 0.22 -1.93 0.00 0.00 178.83 177.50 1xqq h ASP 32 N 0.17 0.56 0.00 -0.69 3.58 -1.34 0.27 116.42 118.97 1xqq h ASP 32 Ca 0.51 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.95 1xqq h ASP 32 Cb 1.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1xqq h ASP 32 CO -0.67 0.39 0.00 0.29 -2.88 0.00 0.00 179.24 176.37 1xqq n LYS 33 N -4.47 0.00 -0.00 0.28 5.02 0.93 -4.73 118.16 115.20 1xqq n LYS 33 Ca 0.06 0.37 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1xqq n LYS 33 Cb 0.11 -1.07 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 0.02 -3.51 1.97 4.39 -1.27 -3.50 114.58 112.68 1xqq h GLU 34 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xqq h GLU 34 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1xqq h GLU 34 CO 0.00 0.65 -0.04 0.41 -1.16 0.00 0.00 179.01 178.87 1xqq n GLY 35 N 1.54 -0.61 3.09 -3.84 0.00 0.96 -5.01 105.19 101.31 1xqq n GLY 35 Ca -0.14 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1xqq n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqq s ILE 36 N -2.43 1.54 0.53 -0.61 1.01 -1.26 -5.02 121.20 114.95 1xqq s ILE 36 Ca 0.02 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1xqq s ILE 36 Cb -0.01 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 1xqq s ILE 36 CO 0.16 0.45 1.28 -2.84 0.00 0.00 0.00 174.94 173.99 1xqq s PRO 37 N 0.75 3.29 0.54 2.79 0.02 -1.26 -4.63 135.00 136.49 1xqq s PRO 37 Ca -0.12 2.04 0.33 0.00 0.02 0.00 0.00 61.00 63.27 1xqq s PRO 37 Cb -0.16 -2.25 1.38 0.00 0.02 0.00 0.00 34.50 33.50 1xqq s PRO 37 CO 0.02 -1.01 2.00 -1.00 -0.33 0.00 0.00 177.00 176.67 1xqq h PRO 38 N 1.54 0.00 0.00 5.54 0.13 -1.92 -1.81 132.00 135.47 1xqq h PRO 38 Ca -0.50 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.40 1xqq h PRO 38 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.58 0.05 -1.10 0.38 -0.23 0.00 0.00 178.00 177.68 1xqq h ASP 39 N 0.00 0.01 -0.06 1.44 2.03 -2.01 -3.36 116.42 114.47 1xqq h ASP 39 Ca -0.00 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.24 1xqq h ASP 39 Cb 0.50 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 1xqq h ASP 39 CO 0.01 1.01 -0.15 -0.61 -1.03 0.00 0.00 179.24 178.47 1xqq h GLN 40 N 0.00 0.21 -7.34 4.15 4.15 -1.84 -3.43 115.11 111.01 1xqq h GLN 40 Ca -0.05 -0.14 -0.50 0.00 0.77 0.00 0.00 58.65 58.72 1xqq h GLN 40 Cb 1.81 0.02 0.12 0.00 0.21 0.00 0.00 27.48 29.63 1xqq h GLN 40 CO 0.13 0.75 0.33 1.14 -1.93 0.00 0.00 178.83 179.24 1xqq s GLN 41 N -3.86 2.32 -0.10 1.69 -2.07 -0.70 -0.61 119.66 116.32 1xqq s GLN 41 Ca -0.15 0.95 -0.08 0.00 -1.82 0.00 0.00 55.36 54.26 1xqq s GLN 41 Cb 0.03 -1.92 0.03 0.00 -1.09 0.00 0.00 33.01 30.06 1xqq s GLN 41 CO 0.73 -1.53 0.26 0.50 -1.32 0.00 0.00 175.29 173.93 1xqq s ARG 42 N -5.00 0.28 -0.23 9.60 3.52 -0.98 -4.45 118.95 121.68 1xqq s ARG 42 Ca 0.60 0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 56.55 1xqq s ARG 42 Cb -0.16 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1xqq s ARG 42 CO 0.55 -0.07 0.07 -0.51 -0.81 0.00 0.00 175.30 174.53 1xqq s LEU 43 N 0.49 3.55 0.01 -0.88 1.43 -1.26 -0.20 118.68 121.81 1xqq s LEU 43 Ca -0.03 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 43 Cb -0.04 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1xqq s LEU 43 CO -0.03 0.01 0.40 -0.63 0.23 0.00 0.00 176.35 176.34 1xqq s ILE 44 N 1.33 5.05 -0.11 -0.59 -1.09 0.53 -2.51 121.20 123.81 1xqq s ILE 44 Ca 0.05 0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1xqq s ILE 44 Cb -0.15 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.08 1xqq s ILE 44 CO 0.04 0.54 0.00 0.12 -1.23 0.00 0.00 174.94 174.41 1xqq s PHE 45 N -1.13 0.84 0.00 3.97 5.36 -0.93 -0.37 117.98 125.73 1xqq s PHE 45 Ca 0.25 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 1xqq s PHE 45 Cb -0.16 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 1xqq s PHE 45 CO 0.14 -0.42 0.00 0.00 -1.46 0.00 0.00 175.22 173.47 1xqq n ALA 46 N 5.10 0.00 -1.67 11.12 0.00 -1.26 -3.26 120.51 130.54 1xqq n ALA 46 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1xqq n ALA 46 Cb 0.49 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 1xqq n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqq n GLY 47 N 0.00 4.07 3.38 0.00 0.00 -1.26 -5.04 105.19 106.34 1xqq n GLY 47 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -2.39 0.62 0.88 1.61 -2.85 -1.20 -5.16 119.74 111.26 1xqq s LYS 48 Ca 0.34 0.55 -0.12 0.00 -1.00 0.00 0.00 55.97 55.74 1xqq s LYS 48 Cb 0.33 0.30 0.12 0.00 -2.06 0.00 0.00 37.83 36.52 1xqq s LYS 48 CO -0.06 -0.10 1.09 1.14 0.10 0.00 0.00 175.35 177.52 1xqq s GLN 49 N -0.03 1.36 0.29 1.78 -2.07 -1.26 -2.18 119.66 117.55 1xqq s GLN 49 Ca -0.02 0.79 0.08 0.00 -1.82 0.00 0.00 55.36 54.39 1xqq s GLN 49 Cb -0.03 -1.82 -0.04 0.00 -1.09 0.00 0.00 33.01 30.02 1xqq s GLN 49 CO 0.02 -2.16 0.11 -0.51 -1.32 0.00 0.00 175.29 171.43 1xqq s LEU 50 N -6.16 3.41 -0.14 2.60 1.43 -1.04 -4.93 118.68 113.85 1xqq s LEU 50 Ca 0.63 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1xqq s LEU 50 Cb -0.17 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xqq s LEU 50 CO 0.57 -0.12 -0.03 -0.70 0.23 0.00 0.00 176.35 176.30 1xqq s GLU 51 N -3.79 3.50 0.22 1.70 2.12 -1.26 -4.91 118.70 116.28 1xqq s GLU 51 Ca 0.34 -0.49 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 1xqq s GLU 51 Cb -0.06 -2.89 0.27 0.00 0.26 0.00 0.00 34.13 31.72 1xqq s GLU 51 CO 0.23 0.36 1.61 -0.44 -0.54 0.00 0.00 175.26 176.47 1xqq h ASP 52 N 6.31 -0.74 -0.15 -1.70 3.32 -1.99 -1.58 116.42 119.90 1xqq h ASP 52 Ca -0.36 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xqq h ASP 52 Cb 1.19 0.47 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1xqq h ASP 52 CO 0.61 -0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.49 1xqq n GLY 53 N -1.48 0.71 3.94 2.75 0.00 -1.26 -2.60 105.19 107.26 1xqq n GLY 53 Ca 0.09 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1xqq n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xqq s ARG 54 N -1.61 3.45 0.51 1.61 1.81 -0.60 -4.98 118.95 119.15 1xqq s ARG 54 Ca 0.12 -0.56 -0.05 0.00 -1.72 0.00 0.00 55.73 53.52 1xqq s ARG 54 Cb 0.07 -2.94 -0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1xqq s ARG 54 CO 0.06 0.49 0.81 0.95 -0.68 0.00 0.00 175.30 176.93 1xqq s THR 55 N -1.78 4.54 0.20 0.02 -4.23 -1.26 -2.25 115.64 110.87 1xqq s THR 55 Ca 0.35 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1xqq s THR 55 Cb -0.11 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.11 1xqq s THR 55 CO 0.29 -0.73 1.81 -0.07 -0.54 0.00 0.00 174.62 175.38 1xqq h LEU 56 N 0.13 0.54 -1.24 4.79 3.38 -1.19 -3.17 115.31 118.54 1xqq h LEU 56 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xqq h LEU 56 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xqq h LEU 56 CO 0.61 0.36 0.00 -1.28 0.09 0.00 0.00 178.44 178.22 1xqq h SER 57 N 0.67 0.00 0.14 -0.43 0.87 -1.65 -1.22 113.55 111.93 1xqq h SER 57 Ca 0.27 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.65 1xqq h SER 57 Cb 0.13 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xqq h SER 57 CO -0.15 0.00 -0.79 0.44 -0.53 0.00 0.00 176.83 175.80 1xqq h ASP 58 N 0.00 0.46 0.30 6.23 3.32 -1.85 -3.22 116.42 121.66 1xqq h ASP 58 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 57.03 56.09 1xqq h ASP 58 Cb 0.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1xqq h ASP 58 CO 0.00 1.38 -0.12 -1.22 -1.72 0.00 0.00 179.24 177.56 1xqq n TYR 59 N -4.14 0.00 -2.01 4.55 4.01 -1.10 -4.93 117.16 113.54 1xqq n TYR 59 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1xqq n TYR 59 Cb 0.81 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1xqq n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xqq n ASN 60 N -0.83 -1.42 -4.44 7.72 4.13 -0.72 -4.95 115.26 114.75 1xqq n ASN 60 Ca 0.15 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.97 1xqq n ASN 60 Cb 0.28 -0.43 -0.04 0.00 -1.54 0.00 0.00 39.78 38.05 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -2.55 4.48 0.20 2.41 1.01 -0.54 -5.00 121.20 121.20 1xqq s ILE 61 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1xqq s ILE 61 Cb 0.00 -4.67 0.04 0.00 0.01 0.00 0.00 42.46 37.84 1xqq s ILE 61 CO 0.00 -1.41 0.27 0.00 0.00 0.00 0.00 174.94 173.79 1xqq n GLN 62 N 7.27 0.10 -2.42 2.79 6.02 -1.26 -4.70 117.38 125.19 1xqq n GLN 62 Ca 0.00 -0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 56.03 1xqq n GLN 62 Cb 0.46 -0.23 -0.04 0.00 1.02 0.00 0.00 30.24 31.45 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -3.32 4.58 -0.48 -1.09 -2.85 -1.26 -2.94 119.74 112.38 1xqq s LYS 63 Ca 0.16 1.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1xqq s LYS 63 Cb -0.01 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1xqq s LYS 63 CO 0.11 0.10 0.00 0.39 0.10 0.00 0.00 175.35 176.05 1xqq n GLU 64 N 1.49 -1.60 -2.63 1.78 1.02 -0.38 -4.99 120.64 115.32 1xqq n GLU 64 Ca 0.00 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.34 1xqq n GLU 64 Cb 0.44 -4.89 -0.04 0.00 -0.02 0.00 0.00 31.44 26.94 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1xqq s SER 65 N -2.20 7.39 -0.18 1.62 0.01 -1.15 -4.87 113.70 114.31 1xqq s SER 65 Ca 0.00 1.92 -0.23 0.00 1.31 0.00 0.00 55.95 58.95 1xqq s SER 65 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1xqq s SER 65 CO 0.00 -0.14 0.71 -0.89 0.41 0.00 0.00 173.24 173.33 1xqq s THR 66 N -0.05 4.97 0.43 1.44 2.01 -1.26 -3.00 115.64 120.18 1xqq s THR 66 Ca 0.48 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.86 1xqq s THR 66 Cb -0.26 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 1xqq s THR 66 CO 0.32 0.08 0.64 -0.76 -0.69 0.00 0.00 174.62 174.21 1xqq s LEU 67 N 1.95 3.74 -0.16 4.42 1.02 0.52 -4.80 118.68 125.37 1xqq s LEU 67 Ca 0.33 0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.81 1xqq s LEU 67 Cb -0.16 -3.21 0.02 0.00 0.02 0.00 0.00 46.19 42.87 1xqq s LEU 67 CO 0.11 -0.60 -0.15 -1.00 0.02 0.00 0.00 176.35 174.74 1xqq s HIS 68 N -2.50 2.32 -0.11 0.29 3.76 0.50 -1.60 115.29 117.96 1xqq s HIS 68 Ca 0.46 -1.36 -0.21 0.00 -0.15 0.00 0.00 55.06 53.81 1xqq s HIS 68 Cb -0.10 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1xqq s HIS 68 CO 0.37 -0.71 0.61 -1.17 -0.85 0.00 0.00 174.74 173.00 1xqq s LEU 69 N 1.44 4.28 0.00 0.89 0.20 0.04 -0.34 118.68 125.18 1xqq s LEU 69 Ca 0.04 1.00 0.00 0.00 0.69 0.00 0.00 54.13 55.86 1xqq s LEU 69 Cb -0.13 -2.92 0.00 0.00 -0.43 0.00 0.00 46.19 42.71 1xqq s LEU 69 CO -0.11 -0.10 0.00 1.33 -0.29 0.00 0.00 176.35 177.18 1xqq n VAL 70 N 3.88 0.00 -4.60 1.68 0.24 0.71 -3.36 118.33 116.88 1xqq n VAL 70 Ca -0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 1xqq n VAL 70 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 3.04 -0.31 1.34 2.96 -1.26 -2.33 118.68 122.12 1xqq s LEU 71 Ca 0.00 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 1xqq s LEU 71 Cb 0.00 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1xqq s LEU 71 CO 0.00 0.31 0.34 -0.60 -1.32 0.00 0.00 176.35 175.09 1xqq s ARG 72 N -1.12 3.76 -0.13 1.98 3.52 0.22 -4.75 118.95 122.42 1xqq s ARG 72 Ca 0.15 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 1xqq s ARG 72 Cb -0.11 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 1xqq s ARG 72 CO 0.04 -0.40 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.61 1xqq s LEU 73 N 2.00 3.44 -0.25 -0.88 1.43 -1.26 -4.87 118.68 118.30 1xqq s LEU 73 Ca 0.12 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1xqq s LEU 73 Cb -0.16 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1xqq s LEU 73 CO 0.11 0.26 1.44 -0.60 0.23 0.00 0.00 176.35 177.79 1xqq s ARG 74 N -0.20 3.90 0.00 1.70 6.06 -1.26 -3.46 118.95 125.69 1xqq s ARG 74 Ca 0.05 1.48 0.00 0.00 -2.50 0.00 0.00 55.73 54.76 1xqq s ARG 74 Cb -0.13 -3.94 0.00 0.00 0.06 0.00 0.00 34.95 30.95 1xqq s ARG 74 CO 0.02 -1.15 0.00 0.41 -2.50 0.00 0.00 175.30 172.08 1xqq n GLY 75 N 4.40 1.47 0.00 8.12 0.00 -1.26 -5.35 105.19 112.57 1xqq n GLY 75 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93