#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 4.14 0.14 3.17 -0.21 -1.26 -0.64 119.66 124.99 1xqq s GLN 2 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.96 1xqq s GLN 2 Cb 0.00 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 1xqq s GLN 2 CO 0.00 -0.32 -0.22 0.96 -2.12 0.00 0.00 175.29 173.60 1xqq s ILE 3 N 2.19 1.92 -0.06 1.08 -4.36 -0.50 -0.21 121.20 121.25 1xqq s ILE 3 Ca 0.25 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1xqq s ILE 3 Cb -0.16 -1.78 -0.02 0.00 1.25 0.00 0.00 42.46 41.75 1xqq s ILE 3 CO 0.09 -0.11 -0.17 -0.36 0.24 0.00 0.00 174.94 174.63 1xqq s PHE 4 N -1.44 2.63 -0.15 1.37 0.08 -0.14 -0.41 117.98 119.92 1xqq s PHE 4 Ca 0.12 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 1xqq s PHE 4 Cb -0.09 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1xqq s PHE 4 CO 0.06 0.00 -0.05 0.08 -0.10 0.00 0.00 175.22 175.21 1xqq s VAL 5 N -0.38 3.77 -0.03 -0.44 1.01 0.09 0.96 120.40 125.37 1xqq s VAL 5 Ca 0.04 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1xqq s VAL 5 Cb -0.12 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1xqq s VAL 5 CO 0.02 0.50 -0.22 -0.75 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 0.32 2.00 0.20 2.72 2.20 0.19 -0.69 119.74 126.69 1xqq s LYS 6 Ca -0.05 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 1xqq s LYS 6 Cb -0.14 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1xqq s LYS 6 CO 0.03 0.40 0.27 0.25 -0.36 0.00 0.00 175.35 175.94 1xqq n THR 7 N 2.79 0.00 -0.01 3.43 -2.24 -1.09 -0.87 114.28 116.29 1xqq n THR 7 Ca -0.17 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 60.76 1xqq n THR 7 Cb 0.52 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.83 0.62 3.22 3.38 -1.94 -2.96 115.31 118.45 1xqq h LEU 8 Ca -0.10 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.18 1xqq h LEU 8 Cb 0.44 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xqq h LEU 8 CO 0.14 1.36 -0.30 0.71 0.09 0.00 0.00 178.44 180.44 1xqq h THR 9 N 0.36 0.28 0.00 0.22 1.35 -1.95 -3.48 112.91 109.69 1xqq h THR 9 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xqq h THR 9 Cb 1.38 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1xqq h THR 9 CO 0.15 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1xqq n GLY 10 N -0.89 -0.49 3.80 5.82 0.00 -1.12 -5.15 105.19 107.17 1xqq n GLY 10 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1xqq n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 11 N 0.00 4.04 -0.30 1.61 2.20 -1.26 -4.47 119.74 121.56 1xqq s LYS 11 Ca 0.00 1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1xqq s LYS 11 Cb 0.00 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1xqq s LYS 11 CO 0.00 -0.21 0.01 0.99 -0.36 0.00 0.00 175.35 175.78 1xqq s THR 12 N -2.02 3.14 -0.25 3.43 2.01 -1.26 -2.68 115.64 118.00 1xqq s THR 12 Ca 0.64 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 1xqq s THR 12 Cb -0.14 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1xqq s THR 12 CO 0.18 -0.08 0.12 -0.63 -0.69 0.00 0.00 174.62 173.52 1xqq s ILE 13 N 1.29 4.83 -0.33 1.82 1.09 0.14 -5.00 121.20 125.03 1xqq s ILE 13 Ca -0.04 0.00 -0.11 0.00 -1.10 0.00 0.00 60.65 59.41 1xqq s ILE 13 Cb -0.19 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.94 1xqq s ILE 13 CO -0.01 0.32 0.18 -0.89 -0.10 0.00 0.00 174.94 174.45 1xqq s THR 14 N 1.47 4.70 -0.07 2.92 2.01 -1.26 -0.73 115.64 124.67 1xqq s THR 14 Ca 0.06 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1xqq s THR 14 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1xqq s THR 14 CO 0.06 -0.03 0.07 -0.76 -0.69 0.00 0.00 174.62 173.27 1xqq s LEU 15 N 1.61 3.91 -0.68 4.42 1.43 0.45 -4.95 118.68 124.87 1xqq s LEU 15 Ca 0.04 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.13 1xqq s LEU 15 Cb -0.18 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1xqq s LEU 15 CO 0.07 0.35 1.11 -0.70 0.23 0.00 0.00 176.35 177.41 1xqq s GLU 16 N -1.19 3.18 0.14 1.70 2.56 -1.26 -1.41 118.70 122.43 1xqq s GLU 16 Ca 0.17 -0.48 0.11 0.00 0.00 0.00 0.00 54.97 54.76 1xqq s GLU 16 Cb -0.12 -4.18 -0.04 0.00 2.00 0.00 0.00 34.13 31.79 1xqq s GLU 16 CO 0.06 -1.92 -0.25 0.14 -0.56 0.00 0.00 175.26 172.73 1xqq s VAL 17 N 4.80 2.19 0.48 3.70 -7.23 0.19 -4.83 120.40 119.71 1xqq s VAL 17 Ca 0.29 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1xqq s VAL 17 Cb -0.12 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 1xqq s VAL 17 CO 0.14 -0.00 0.73 -1.61 -0.31 0.00 0.00 175.10 174.04 1xqq s GLU 18 N -2.23 3.08 0.00 4.82 2.02 -1.26 -0.07 118.70 125.05 1xqq s GLU 18 Ca 0.15 -0.32 0.28 0.00 0.02 0.00 0.00 54.97 55.10 1xqq s GLU 18 Cb -0.09 -2.48 1.16 0.00 0.10 0.00 0.00 34.13 32.82 1xqq s GLU 18 CO 0.07 -0.35 1.85 -0.35 0.02 0.00 0.00 175.26 176.49 1xqq n PRO 19 N -2.20 0.23 0.00 0.39 -0.04 -1.26 -2.59 135.00 129.53 1xqq n PRO 19 Ca 0.02 -0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1xqq n PRO 19 Cb 0.57 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.07 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.34 0.70 -4.76 3.54 7.64 -1.26 -2.08 113.62 116.05 1xqq n SER 20 Ca 0.10 -0.73 -0.40 0.00 1.01 0.00 0.00 58.87 58.85 1xqq n SER 20 Cb 0.31 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.45 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -2.45 7.39 0.66 6.43 1.01 -1.07 -4.86 116.67 123.79 1xqq s ASP 21 Ca 0.28 1.65 -0.13 0.00 0.71 0.00 0.00 52.55 55.07 1xqq s ASP 21 Cb 0.20 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 1xqq s ASP 21 CO 0.48 0.11 1.06 0.42 0.21 0.00 0.00 175.17 177.45 1xqq s THR 22 N -0.69 3.88 0.18 -1.27 -4.23 -1.26 -2.89 115.64 109.36 1xqq s THR 22 Ca 0.39 0.72 0.32 0.00 -1.18 0.00 0.00 61.69 61.93 1xqq s THR 22 Cb -0.23 -3.35 0.35 0.00 1.34 0.00 0.00 72.50 70.61 1xqq s THR 22 CO 0.27 -0.69 1.99 0.40 -0.54 0.00 0.00 174.62 176.04 1xqq h ILE 23 N -0.29 0.19 -0.18 2.99 2.04 -1.34 -1.46 117.51 119.45 1xqq h ILE 23 Ca -0.45 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1xqq h ILE 23 Cb 1.22 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1xqq h ILE 23 CO 0.57 0.06 0.12 -0.08 0.00 0.00 0.00 178.15 178.82 1xqq h GLU 24 N 0.00 0.24 -0.86 2.37 4.81 -1.04 -0.62 114.58 119.48 1xqq h GLU 24 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xqq h GLU 24 Cb 0.51 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1xqq h GLU 24 CO 0.01 0.16 0.53 -0.97 -0.73 0.00 0.00 179.01 178.01 1xqq h ASN 25 N 0.25 1.03 0.38 1.04 -0.73 -1.61 -1.18 115.58 114.76 1xqq h ASN 25 Ca 0.07 -0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1xqq h ASN 25 Cb -0.03 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.29 1xqq h ASN 25 CO -0.01 0.79 -0.30 0.58 -0.37 0.00 0.00 177.43 178.11 1xqq h VAL 26 N 1.18 0.38 -0.84 2.57 2.07 -1.19 -1.99 116.25 118.42 1xqq h VAL 26 Ca 0.31 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.04 1xqq h VAL 26 Cb -0.06 0.38 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 1xqq h VAL 26 CO -0.06 0.00 0.22 0.11 0.02 0.00 0.00 177.57 177.86 1xqq h LYS 27 N -0.68 0.22 -0.25 1.57 1.57 -0.94 -1.90 116.57 116.16 1xqq h LYS 27 Ca -0.03 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1xqq h LYS 27 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1xqq h LYS 27 CO -0.01 0.15 -0.44 0.00 -0.57 0.00 0.00 179.45 178.58 1xqq h ALA 28 N 1.73 0.76 -0.19 3.86 0.00 -1.15 -1.96 119.26 122.32 1xqq h ALA 28 Ca 0.51 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1xqq h ALA 28 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1xqq h ALA 28 CO -0.62 0.66 -0.44 -0.22 0.00 0.00 0.00 179.25 178.63 1xqq h LYS 29 N 0.51 0.46 -0.66 0.00 3.64 -1.12 -0.80 116.57 118.61 1xqq h LYS 29 Ca 0.04 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1xqq h LYS 29 Cb 0.96 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1xqq h LYS 29 CO 0.09 0.82 0.42 0.82 -2.27 0.00 0.00 179.45 179.33 1xqq h ILE 30 N 0.38 1.13 -0.35 2.00 2.04 -1.11 -0.68 117.51 120.91 1xqq h ILE 30 Ca 0.03 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1xqq h ILE 30 Cb 0.93 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1xqq h ILE 30 CO 0.08 0.15 -0.14 -0.61 0.00 0.00 0.00 178.15 177.63 1xqq h GLN 31 N 0.85 0.72 -0.33 2.37 4.15 -0.87 0.13 115.11 122.13 1xqq h GLN 31 Ca 0.25 -0.30 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1xqq h GLN 31 Cb -0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1xqq h GLN 31 CO -0.08 0.90 0.20 0.22 -1.93 0.00 0.00 178.83 178.14 1xqq h ASP 32 N 0.50 0.33 0.03 -0.69 3.58 -1.05 -1.58 116.42 117.53 1xqq h ASP 32 Ca 0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1xqq h ASP 32 Cb 0.67 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1xqq h ASP 32 CO 0.05 0.24 -0.01 0.50 -2.88 0.00 0.00 179.24 177.13 1xqq h LYS 33 N 0.41 -0.03 0.00 0.28 3.64 -1.00 -3.43 116.57 116.43 1xqq h LYS 33 Ca 0.13 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1xqq h LYS 33 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1xqq h LYS 33 CO -0.05 0.24 -0.49 0.93 -2.27 0.00 0.00 179.45 177.81 1xqq h GLU 34 N -1.00 0.00 0.00 1.90 4.39 -0.83 -3.50 114.58 115.53 1xqq h GLU 34 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xqq h GLU 34 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1xqq h GLU 34 CO 0.01 0.54 0.00 0.41 -1.16 0.00 0.00 179.01 178.80 1xqq n GLY 35 N 1.60 0.68 3.19 -3.84 0.00 -0.60 -5.03 105.19 101.19 1xqq n GLY 35 Ca -0.13 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.35 2.15 0.67 -0.61 1.01 -1.26 -5.04 121.20 116.77 1xqq s ILE 36 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1xqq s ILE 36 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 1xqq s ILE 36 CO 0.00 0.55 1.06 -2.16 0.00 0.00 0.00 174.94 174.38 1xqq s PRO 37 N 0.77 3.05 0.09 2.79 0.04 -1.26 -4.00 135.00 136.48 1xqq s PRO 37 Ca -0.08 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.02 1xqq s PRO 37 Cb -0.16 -2.00 0.41 0.00 0.04 0.00 0.00 34.50 32.79 1xqq s PRO 37 CO -0.01 -1.01 1.25 -2.30 0.04 0.00 0.00 177.00 174.98 1xqq n PRO 38 N -2.92 0.04 0.03 0.56 -0.02 -1.26 -2.48 135.00 128.95 1xqq n PRO 38 Ca 0.08 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1xqq n PRO 38 Cb 0.53 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xqq h ASP 39 N 0.00 0.00 0.83 2.55 3.32 -2.00 -3.32 116.42 117.80 1xqq h ASP 39 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1xqq h ASP 39 Cb 0.05 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1xqq h ASP 39 CO 0.00 0.87 -1.27 -0.61 -1.72 0.00 0.00 179.24 176.52 1xqq h GLN 40 N 0.00 0.00 -6.50 3.56 4.15 -1.84 -3.47 115.11 111.01 1xqq h GLN 40 Ca -0.14 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.74 1xqq h GLN 40 Cb 1.79 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.48 1xqq h GLN 40 CO 0.09 0.63 0.55 -0.65 -1.93 0.00 0.00 178.83 177.52 1xqq s GLN 41 N -2.74 4.44 -0.06 1.69 -0.21 -1.20 -1.73 119.66 119.86 1xqq s GLN 41 Ca -0.01 1.76 0.01 0.00 0.02 0.00 0.00 55.36 57.14 1xqq s GLN 41 Cb 0.09 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.78 1xqq s GLN 41 CO 0.81 -0.23 -0.06 0.50 -2.12 0.00 0.00 175.29 174.19 1xqq s ARG 42 N 0.95 1.04 -0.29 2.91 3.52 -1.14 -4.94 118.95 121.00 1xqq s ARG 42 Ca 0.58 -0.15 -0.07 0.00 -0.13 0.00 0.00 55.73 55.96 1xqq s ARG 42 Cb -0.29 -1.06 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 1xqq s ARG 42 CO 0.30 -0.12 0.08 -0.51 -0.81 0.00 0.00 175.30 174.24 1xqq s LEU 43 N 1.14 3.85 -0.04 -0.88 1.43 -1.26 -0.40 118.68 122.53 1xqq s LEU 43 Ca -0.07 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1xqq s LEU 43 Cb -0.14 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1xqq s LEU 43 CO -0.01 -0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 175.62 1xqq s ILE 44 N 1.50 1.06 -0.21 -0.59 1.01 -0.30 -4.38 121.20 119.30 1xqq s ILE 44 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1xqq s ILE 44 Cb -0.17 -0.93 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 1xqq s ILE 44 CO 0.02 0.32 -0.21 0.33 0.00 0.00 0.00 174.94 175.41 1xqq n PHE 45 N 3.27 0.39 0.00 3.97 7.35 -1.26 0.12 117.46 131.30 1xqq n PHE 45 Ca -0.19 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1xqq n PHE 45 Cb 0.54 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.53 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -4.02 0.00 0.00 3.13 0.00 -1.26 -4.82 120.51 113.54 1xqq n ALA 46 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1xqq n ALA 46 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 4.68 1.44 3.62 0.00 0.00 -1.26 -5.04 105.19 108.64 1xqq n GLY 47 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1xqq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -0.67 2.58 -0.13 1.61 1.02 -1.26 -5.09 119.74 117.80 1xqq s LYS 48 Ca 0.01 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 1xqq s LYS 48 Cb 0.01 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1xqq s LYS 48 CO 0.01 0.60 1.25 -0.65 -0.92 0.00 0.00 175.35 175.64 1xqq s GLN 49 N -1.56 4.27 -0.26 1.68 -0.21 -1.26 -4.61 119.66 117.70 1xqq s GLN 49 Ca 0.19 1.68 -0.16 0.00 0.02 0.00 0.00 55.36 57.09 1xqq s GLN 49 Cb -0.11 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.16 1xqq s GLN 49 CO 0.09 -0.63 0.41 -0.51 -2.12 0.00 0.00 175.29 172.53 1xqq s LEU 50 N 3.12 4.06 -0.02 2.90 1.43 -1.26 -5.08 118.68 123.83 1xqq s LEU 50 Ca 0.55 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1xqq s LEU 50 Cb -0.23 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1xqq s LEU 50 CO 0.17 -0.20 0.25 -0.70 0.23 0.00 0.00 176.35 176.11 1xqq s GLU 51 N 2.03 3.58 0.20 1.70 2.12 -1.26 -4.92 118.70 122.15 1xqq s GLU 51 Ca 0.17 -0.05 -0.08 0.00 0.36 0.00 0.00 54.97 55.37 1xqq s GLU 51 Cb -0.16 -3.12 0.13 0.00 0.26 0.00 0.00 34.13 31.25 1xqq s GLU 51 CO 0.09 0.68 1.69 -0.44 -0.54 0.00 0.00 175.26 176.75 1xqq h ASP 52 N 4.25 1.02 1.04 -1.70 3.32 -1.98 -3.23 116.42 119.15 1xqq h ASP 52 Ca -0.51 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1xqq h ASP 52 Cb 1.21 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1xqq h ASP 52 CO 0.64 1.03 -0.14 0.61 -1.72 0.00 0.00 179.24 179.67 1xqq n GLY 53 N -0.56 -1.51 3.97 2.75 0.00 -1.26 -0.44 105.19 108.15 1xqq n GLY 53 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.04 2.07 0.47 1.61 1.81 -1.22 -4.86 118.95 115.79 1xqq s ARG 54 Ca 0.12 -0.85 0.05 0.00 -1.72 0.00 0.00 55.73 53.34 1xqq s ARG 54 Cb 0.16 -2.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.29 1xqq s ARG 54 CO 0.59 -1.15 0.21 0.95 -0.68 0.00 0.00 175.30 175.23 1xqq s THR 55 N -3.02 1.87 0.41 0.02 -4.23 -1.26 -2.89 115.64 106.54 1xqq s THR 55 Ca 0.62 -1.69 0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1xqq s THR 55 Cb -0.08 -2.56 0.17 0.00 1.34 0.00 0.00 72.50 71.36 1xqq s THR 55 CO 0.42 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.38 1xqq h LEU 56 N 1.20 0.12 -1.08 4.79 3.38 -1.58 -3.04 115.31 119.09 1xqq h LEU 56 Ca -0.41 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1xqq h LEU 56 Cb 1.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1xqq h LEU 56 CO 0.67 0.29 -0.35 -1.28 0.09 0.00 0.00 178.44 177.87 1xqq h SER 57 N 0.12 0.21 0.03 -0.43 0.87 -1.69 0.78 113.55 113.44 1xqq h SER 57 Ca 0.02 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1xqq h SER 57 Cb 0.35 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1xqq h SER 57 CO 0.02 0.55 -0.01 0.44 -0.53 0.00 0.00 176.83 177.30 1xqq h ASP 58 N 0.18 -0.03 0.97 6.23 3.32 -1.85 -3.20 116.42 122.03 1xqq h ASP 58 Ca 0.02 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1xqq h ASP 58 Cb 0.70 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1xqq h ASP 58 CO 0.05 0.07 -1.05 1.88 -1.72 0.00 0.00 179.24 178.47 1xqq h TYR 59 N -0.13 0.00 -0.84 4.55 0.05 -1.54 -3.49 116.97 115.57 1xqq h TYR 59 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xqq h TYR 59 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1xqq h TYR 59 CO -0.04 0.09 0.00 0.09 -1.05 0.00 0.00 178.16 177.25 1xqq n ASN 60 N -2.72 -1.44 -4.63 3.88 4.13 0.09 -5.03 115.26 109.54 1xqq n ASN 60 Ca -0.01 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.82 1xqq n ASN 60 Cb 0.60 -0.36 -0.02 0.00 -1.54 0.00 0.00 39.78 38.46 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 -2.67 4.41 0.29 2.41 -1.09 -0.19 -5.01 121.20 119.36 1xqq s ILE 61 Ca 0.00 1.61 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 1xqq s ILE 61 Cb 0.00 -4.39 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 1xqq s ILE 61 CO 0.00 -0.54 0.40 0.00 -1.23 0.00 0.00 174.94 173.57 1xqq n GLN 62 N 7.05 0.49 -2.11 2.79 6.02 -1.26 -4.66 117.38 125.69 1xqq n GLN 62 Ca 0.12 -1.23 -0.38 0.00 -0.01 0.00 0.00 57.00 55.51 1xqq n GLN 62 Cb 0.47 -0.22 0.01 0.00 1.02 0.00 0.00 30.24 31.52 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 -3.41 3.57 -0.07 -1.09 -2.85 -1.26 -3.59 119.74 111.05 1xqq s LYS 63 Ca 0.28 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.17 1xqq s LYS 63 Cb -0.02 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 1xqq s LYS 63 CO 0.18 -0.75 0.00 0.39 0.10 0.00 0.00 175.35 175.27 1xqq n GLU 64 N -0.64 -0.34 -3.01 1.78 1.02 0.71 -5.01 120.64 115.15 1xqq n GLU 64 Ca 0.08 0.18 -0.38 0.00 -0.02 0.00 0.00 57.16 57.02 1xqq n GLU 64 Cb 0.47 -3.52 -0.06 0.00 -0.02 0.00 0.00 31.44 28.31 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 -2.17 7.28 -0.51 1.62 0.01 -1.24 -4.75 113.70 113.95 1xqq s SER 65 Ca 0.00 1.58 -0.08 0.00 1.31 0.00 0.00 55.95 58.76 1xqq s SER 65 Cb 0.00 -2.48 0.13 0.00 0.21 0.00 0.00 66.02 63.88 1xqq s SER 65 CO 0.00 0.14 0.38 -0.89 0.41 0.00 0.00 173.24 173.27 1xqq s THR 66 N -1.30 4.16 0.29 1.44 2.01 -1.25 -0.96 115.64 120.03 1xqq s THR 66 Ca 0.39 -2.02 -0.10 0.00 0.31 0.00 0.00 61.69 60.26 1xqq s THR 66 Cb -0.21 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 1xqq s THR 66 CO 0.24 -0.80 0.64 -0.76 -0.69 0.00 0.00 174.62 173.25 1xqq s LEU 67 N 1.06 4.06 -0.12 4.42 1.02 0.27 -4.83 118.68 124.56 1xqq s LEU 67 Ca 0.08 1.02 0.01 0.00 0.02 0.00 0.00 54.13 55.26 1xqq s LEU 67 Cb -0.24 -3.82 0.02 0.00 0.02 0.00 0.00 46.19 42.17 1xqq s LEU 67 CO -0.02 -0.18 -0.15 -2.28 0.02 0.00 0.00 176.35 173.73 1xqq s HIS 68 N -2.00 2.06 -0.39 0.29 2.46 0.12 -0.64 115.29 117.19 1xqq s HIS 68 Ca 0.49 -1.05 -0.18 0.00 0.47 0.00 0.00 55.06 54.79 1xqq s HIS 68 Cb -0.11 -1.50 0.01 0.00 -0.13 0.00 0.00 32.58 30.85 1xqq s HIS 68 CO 0.23 -0.55 0.51 -1.17 -2.47 0.00 0.00 174.74 171.29 1xqq s LEU 69 N 1.18 4.55 -0.17 8.88 2.96 -0.05 -1.14 118.68 134.88 1xqq s LEU 69 Ca -0.02 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1xqq s LEU 69 Cb -0.14 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1xqq s LEU 69 CO -0.05 -0.57 0.06 -0.69 -1.32 0.00 0.00 176.35 173.78 1xqq s VAL 70 N 2.39 4.77 -0.34 1.68 1.01 0.47 -3.81 120.40 126.57 1xqq s VAL 70 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1xqq s VAL 70 Cb -0.16 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1xqq s VAL 70 CO 0.15 0.49 0.26 -0.76 0.00 0.00 0.00 175.10 175.23 1xqq s LEU 71 N 0.15 4.53 0.55 3.92 2.01 -1.26 -2.89 118.68 125.68 1xqq s LEU 71 Ca 0.05 -0.40 -0.17 0.00 0.01 0.00 0.00 54.13 53.61 1xqq s LEU 71 Cb -0.12 -2.17 -0.06 0.00 0.01 0.00 0.00 46.19 43.85 1xqq s LEU 71 CO 0.01 -0.26 1.03 -0.60 1.01 0.00 0.00 176.35 177.54 1xqq s ARG 72 N 1.77 3.59 0.00 1.70 3.52 -0.71 -5.05 118.95 123.77 1xqq s ARG 72 Ca 0.07 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 1xqq s ARG 72 Cb -0.17 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 1xqq s ARG 72 CO 0.11 -0.58 0.00 1.28 -0.81 0.00 0.00 175.30 175.29 1xqq n LEU 73 N -1.65 0.00 -4.14 -0.88 4.77 -1.26 -4.93 117.00 108.91 1xqq n LEU 73 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1xqq n LEU 73 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1xqq n LEU 73 CO 0.45 0.00 -0.40 -0.13 -1.33 0.00 0.00 177.39 175.98 1xqq s ARG 74 N 0.08 0.74 0.00 3.23 1.81 -1.26 -5.00 118.95 118.55 1xqq s ARG 74 Ca 0.00 -1.12 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1xqq s ARG 74 Cb 0.00 -0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.20 1xqq s ARG 74 CO 0.00 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.05 1xqq n GLY 75 N 0.55 -0.27 0.00 -3.53 0.00 -1.26 -5.26 105.19 95.42 1xqq n GLY 75 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93