#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 2.27 0.17 3.17 -2.07 -1.26 -1.54 119.66 120.40 1xqq s GLN 2 Ca 0.00 -0.91 0.08 0.00 -1.82 0.00 0.00 55.36 52.71 1xqq s GLN 2 Cb 0.00 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 1xqq s GLN 2 CO 0.00 0.55 -0.17 0.96 -1.32 0.00 0.00 175.29 175.31 1xqq s ILE 3 N -1.09 1.74 -0.31 3.63 -4.36 -1.12 -2.09 121.20 117.60 1xqq s ILE 3 Ca 0.19 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.49 1xqq s ILE 3 Cb -0.11 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.72 1xqq s ILE 3 CO 0.10 -0.39 0.26 -0.36 0.24 0.00 0.00 174.94 174.79 1xqq s PHE 4 N -2.27 3.22 -0.34 1.37 0.08 -0.22 -2.35 117.98 117.47 1xqq s PHE 4 Ca 0.16 -0.02 -0.08 0.00 0.12 0.00 0.00 56.93 57.11 1xqq s PHE 4 Cb -0.04 -2.49 0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1xqq s PHE 4 CO 0.06 -0.30 0.14 0.08 -0.10 0.00 0.00 175.22 175.11 1xqq s VAL 5 N 1.82 4.17 -0.38 -0.44 1.01 0.11 -0.53 120.40 126.16 1xqq s VAL 5 Ca 0.08 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1xqq s VAL 5 Cb -0.17 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1xqq s VAL 5 CO 0.11 -0.13 0.67 -0.75 0.00 0.00 0.00 175.10 175.00 1xqq s LYS 6 N 1.49 3.60 1.06 2.72 2.20 -0.20 -1.52 119.74 129.09 1xqq s LYS 6 Ca 0.01 0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 1xqq s LYS 6 Cb -0.19 -3.84 0.22 0.00 -1.51 0.00 0.00 37.83 32.51 1xqq s LYS 6 CO 0.04 -0.83 1.11 0.95 -0.36 0.00 0.00 175.35 176.26 1xqq s THR 7 N 2.84 1.88 -2.56 3.43 -4.23 -0.01 0.20 115.64 117.19 1xqq s THR 7 Ca 0.26 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.00 1xqq s THR 7 Cb -0.14 -2.54 0.39 0.00 1.34 0.00 0.00 72.50 71.55 1xqq s THR 7 CO 0.17 0.00 1.41 -0.11 -0.54 0.00 0.00 174.62 175.54 1xqq n LEU 8 N -4.31 3.09 0.00 4.79 7.94 -1.14 -3.97 117.00 123.39 1xqq n LEU 8 Ca 0.08 -1.26 0.00 0.00 -1.11 0.00 0.00 56.01 53.72 1xqq n LEU 8 Cb 0.58 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1xqq n LEU 8 CO 0.53 0.63 0.00 0.41 -1.11 0.00 0.00 177.39 177.86 1xqq n THR 9 N 1.28 0.00 0.00 1.96 -1.04 -1.26 -5.03 114.28 110.18 1xqq n THR 9 Ca 0.18 0.44 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 1xqq n THR 9 Cb 0.56 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xqq n GLY 10 N 1.94 -0.02 3.76 3.41 0.00 -1.26 -5.15 105.19 107.87 1xqq n GLY 10 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.06 -0.45 1.61 2.20 -1.26 -4.91 119.74 120.98 1xqq s LYS 11 Ca 0.00 -0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 1xqq s LYS 11 Cb 0.00 -3.37 0.09 0.00 -1.51 0.00 0.00 37.83 33.05 1xqq s LYS 11 CO 0.00 0.39 0.33 0.99 -0.36 0.00 0.00 175.35 176.70 1xqq s THR 12 N 0.05 4.49 0.16 3.43 2.01 -1.26 -0.83 115.64 123.69 1xqq s THR 12 Ca 0.13 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 1xqq s THR 12 Cb -0.12 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 1xqq s THR 12 CO 0.02 -0.63 0.94 -0.63 -0.69 0.00 0.00 174.62 173.63 1xqq s ILE 13 N 1.46 4.35 -0.11 1.82 1.01 -0.58 -4.83 121.20 124.32 1xqq s ILE 13 Ca 0.04 2.05 -0.03 0.00 0.00 0.00 0.00 60.65 62.71 1xqq s ILE 13 Cb -0.25 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 1xqq s ILE 13 CO 0.02 0.40 -0.01 -0.89 0.00 0.00 0.00 174.94 174.45 1xqq s THR 14 N -0.49 4.14 0.12 2.92 2.01 -1.26 0.04 115.64 123.12 1xqq s THR 14 Ca 0.44 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.19 1xqq s THR 14 Cb -0.24 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1xqq s THR 14 CO 0.30 0.56 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.93 1xqq s LEU 15 N -0.36 2.45 -0.31 4.42 1.43 -0.99 -5.01 118.68 120.32 1xqq s LEU 15 Ca 0.07 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1xqq s LEU 15 Cb -0.12 -0.32 0.04 0.00 0.03 0.00 0.00 46.19 45.82 1xqq s LEU 15 CO 0.02 -0.29 0.04 -0.70 0.23 0.00 0.00 176.35 175.65 1xqq s GLU 16 N -3.17 2.63 0.04 1.70 2.56 -1.26 -2.80 118.70 118.40 1xqq s GLU 16 Ca 0.10 -1.15 -0.02 0.00 0.00 0.00 0.00 54.97 53.90 1xqq s GLU 16 Cb -0.01 -3.27 -0.03 0.00 2.00 0.00 0.00 34.13 32.82 1xqq s GLU 16 CO 0.00 -0.58 0.01 0.14 -0.56 0.00 0.00 175.26 174.27 1xqq s VAL 17 N 1.34 0.16 0.44 3.70 -7.23 -0.59 -4.93 120.40 113.30 1xqq s VAL 17 Ca -0.02 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1xqq s VAL 17 Cb -0.19 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1xqq s VAL 17 CO 0.00 -0.74 0.64 -1.61 -0.31 0.00 0.00 175.10 173.08 1xqq s GLU 18 N -2.87 2.99 0.59 4.82 2.02 -1.26 -1.36 118.70 123.63 1xqq s GLU 18 Ca -0.03 -0.67 0.35 0.00 0.02 0.00 0.00 54.97 54.64 1xqq s GLU 18 Cb 0.00 -2.61 1.88 0.00 0.10 0.00 0.00 34.13 33.50 1xqq s GLU 18 CO -0.06 -0.27 2.21 -1.35 0.02 0.00 0.00 175.26 175.81 1xqq h PRO 19 N 0.46 0.00 -0.10 0.39 0.11 -1.98 -2.65 132.00 128.23 1xqq h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 19 CO 0.55 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.81 1xqq n SER 20 N -3.41 1.18 -4.79 -2.05 7.64 -1.26 -2.64 113.62 108.30 1xqq n SER 20 Ca -0.02 -1.58 -0.36 0.00 1.01 0.00 0.00 58.87 57.91 1xqq n SER 20 Cb 0.15 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.65 7.05 0.86 6.43 1.01 -1.00 -4.88 116.67 124.50 1xqq s ASP 21 Ca 0.33 1.91 -0.13 0.00 0.71 0.00 0.00 52.55 55.38 1xqq s ASP 21 Cb 0.17 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.64 1xqq s ASP 21 CO 0.27 -0.28 1.18 0.42 0.21 0.00 0.00 175.17 176.96 1xqq s THR 22 N -1.69 1.99 0.34 -1.27 -4.23 -1.26 -2.75 115.64 106.78 1xqq s THR 22 Ca 0.55 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 1xqq s THR 22 Cb -0.19 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 70.95 1xqq s THR 22 CO 0.24 0.00 1.94 0.40 -0.54 0.00 0.00 174.62 176.67 1xqq h ILE 23 N -1.29 1.18 -0.52 2.99 1.08 -0.86 -1.89 117.51 118.20 1xqq h ILE 23 Ca -0.47 -0.52 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 1xqq h ILE 23 Cb 1.32 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1xqq h ILE 23 CO 0.61 0.21 0.21 -0.08 -0.69 0.00 0.00 178.15 178.42 1xqq h GLU 24 N 0.71 0.77 -0.25 2.37 4.81 -1.75 -0.15 114.58 121.08 1xqq h GLU 24 Ca 0.17 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1xqq h GLU 24 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xqq h GLU 24 CO -0.02 0.67 0.11 -0.91 -0.73 0.00 0.00 179.01 178.13 1xqq h ASN 25 N 0.69 0.30 0.37 1.04 2.35 -1.77 0.50 115.58 119.06 1xqq h ASN 25 Ca 0.17 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1xqq h ASN 25 Cb 0.19 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1xqq h ASN 25 CO -0.02 0.27 -0.18 0.58 -1.65 0.00 0.00 177.43 176.43 1xqq h VAL 26 N 0.34 0.64 -0.65 2.81 2.07 -1.09 -3.23 116.25 117.14 1xqq h VAL 26 Ca 0.09 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1xqq h VAL 26 Cb 0.06 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1xqq h VAL 26 CO -0.01 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.02 1xqq h LYS 27 N -0.51 0.57 -0.69 1.57 1.57 -0.63 -3.01 116.57 115.44 1xqq h LYS 27 Ca -0.05 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1xqq h LYS 27 Cb 0.39 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1xqq h LYS 27 CO 0.08 0.38 0.46 0.00 -0.57 0.00 0.00 179.45 179.80 1xqq h ALA 28 N 1.37 2.02 0.00 3.86 0.00 -0.95 -2.01 119.26 123.55 1xqq h ALA 28 Ca 0.31 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1xqq h ALA 28 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xqq h ALA 28 CO -0.23 -0.19 -0.90 -0.22 0.00 0.00 0.00 179.25 177.72 1xqq h LYS 29 N 0.45 0.00 0.00 0.00 1.63 -1.54 -2.35 116.57 114.76 1xqq h LYS 29 Ca 0.33 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.98 1xqq h LYS 29 Cb 0.65 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1xqq h LYS 29 CO -0.10 0.66 -0.68 0.82 -3.45 0.00 0.00 179.45 176.70 1xqq h ILE 30 N 0.00 1.48 0.12 2.00 2.04 -1.33 0.39 117.51 122.20 1xqq h ILE 30 Ca -0.05 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 1xqq h ILE 30 Cb 1.60 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1xqq h ILE 30 CO 0.09 0.67 -0.06 -0.61 0.00 0.00 0.00 178.15 178.24 1xqq h GLN 31 N 0.00 -0.15 -0.75 2.37 4.15 -1.33 -0.23 115.11 119.18 1xqq h GLN 31 Ca -0.01 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 1xqq h GLN 31 Cb 1.21 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.86 1xqq h GLN 31 CO 0.09 -0.01 0.41 -0.44 -1.93 0.00 0.00 178.83 176.95 1xqq h ASP 32 N -0.27 0.57 0.00 -0.69 3.32 -0.85 -3.11 116.42 115.40 1xqq h ASP 32 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xqq h ASP 32 Cb 0.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xqq h ASP 32 CO 0.03 0.34 0.00 0.29 -1.72 0.00 0.00 179.24 178.18 1xqq n LYS 33 N -4.79 0.00 0.03 3.56 5.02 0.07 -4.67 118.16 117.37 1xqq n LYS 33 Ca 0.11 0.32 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 1xqq n LYS 33 Cb 0.25 -0.81 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.15 0.00 1.97 4.39 -1.21 -3.49 114.58 116.09 1xqq h GLU 34 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xqq h GLU 34 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xqq h GLU 34 CO 0.00 0.32 0.00 0.41 -1.16 0.00 0.00 179.01 178.58 1xqq n GLY 35 N 0.82 0.78 3.68 -3.84 0.00 -1.08 -5.03 105.19 100.52 1xqq n GLY 35 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 3.71 0.61 -0.61 1.01 -1.24 -4.81 121.20 119.87 1xqq s ILE 36 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.49 1xqq s ILE 36 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1xqq s ILE 36 CO 0.00 -0.04 1.11 -2.16 0.00 0.00 0.00 174.94 173.85 1xqq s PRO 37 N 3.03 3.05 0.55 2.79 0.04 -1.26 -3.38 135.00 139.83 1xqq s PRO 37 Ca 0.66 1.43 0.33 0.00 0.04 0.00 0.00 61.00 63.46 1xqq s PRO 37 Cb -0.31 -1.98 1.53 0.00 0.04 0.00 0.00 34.50 33.78 1xqq s PRO 37 CO 0.26 -1.06 2.06 -1.00 0.04 0.00 0.00 177.00 177.30 1xqq h PRO 38 N 0.46 0.00 -0.48 0.56 0.13 -1.94 -2.87 132.00 127.85 1xqq h PRO 38 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1xqq h PRO 38 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.55 0.07 -0.02 -0.44 -0.23 0.00 0.00 178.00 177.93 1xqq h ASP 39 N 0.00 0.79 1.38 1.44 3.32 -1.99 -2.97 116.42 118.39 1xqq h ASP 39 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1xqq h ASP 39 Cb 0.40 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1xqq h ASP 39 CO 0.01 0.87 0.00 1.56 -1.72 0.00 0.00 179.24 179.96 1xqq h GLN 40 N 0.76 0.00 -5.19 3.56 4.20 -1.76 -3.39 115.11 113.29 1xqq h GLN 40 Ca 0.14 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.24 1xqq h GLN 40 Cb 0.49 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.14 1xqq h GLN 40 CO 0.02 0.00 -0.39 -0.65 -0.67 0.00 0.00 178.83 177.15 1xqq s GLN 41 N -3.25 4.09 -0.21 1.46 -0.21 -1.13 -1.23 119.66 119.19 1xqq s GLN 41 Ca 0.07 -0.10 -0.09 0.00 0.02 0.00 0.00 55.36 55.26 1xqq s GLN 41 Cb 0.09 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 1xqq s GLN 41 CO 0.56 -0.01 0.11 1.03 -2.12 0.00 0.00 175.29 174.87 1xqq s ARG 42 N 1.25 4.01 -0.11 2.91 0.52 -0.25 -4.94 118.95 122.34 1xqq s ARG 42 Ca 0.12 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1xqq s ARG 42 Cb -0.14 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1xqq s ARG 42 CO 0.06 0.15 -0.16 -0.51 0.02 0.00 0.00 175.30 174.86 1xqq s LEU 43 N 0.77 2.57 -0.04 2.53 1.43 -1.26 -0.50 118.68 124.18 1xqq s LEU 43 Ca 0.06 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1xqq s LEU 43 Cb -0.13 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1xqq s LEU 43 CO 0.02 0.20 -0.13 -0.63 0.23 0.00 0.00 176.35 176.03 1xqq s ILE 44 N 0.14 1.16 -0.09 -0.59 -1.09 0.15 -1.08 121.20 119.78 1xqq s ILE 44 Ca -0.08 -0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 1xqq s ILE 44 Cb -0.15 -1.02 0.04 0.00 -1.58 0.00 0.00 42.46 39.75 1xqq s ILE 44 CO 0.05 0.35 0.09 0.12 -1.23 0.00 0.00 174.94 174.32 1xqq s PHE 45 N 0.23 0.05 0.00 3.97 5.36 -0.39 -2.44 117.98 124.77 1xqq s PHE 45 Ca -0.06 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1xqq s PHE 45 Cb -0.12 -0.51 0.00 0.00 -0.34 0.00 0.00 43.02 42.05 1xqq s PHE 45 CO 0.02 -0.32 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 1xqq n ALA 46 N 5.30 0.00 -0.41 11.12 0.00 -1.26 -2.17 120.51 133.09 1xqq n ALA 46 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1xqq n ALA 46 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 1.51 3.24 0.00 0.00 -1.26 -5.07 105.19 103.61 1xqq n GLY 47 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.85 1.00 0.06 1.61 -2.85 -0.92 -5.13 119.74 112.65 1xqq s LYS 48 Ca 0.03 -1.17 -0.20 0.00 -1.00 0.00 0.00 55.97 53.63 1xqq s LYS 48 Cb 0.02 -0.97 -0.06 0.00 -2.06 0.00 0.00 37.83 34.76 1xqq s LYS 48 CO 0.00 0.20 0.58 -1.14 0.10 0.00 0.00 175.35 175.09 1xqq s GLN 49 N -2.37 4.23 -0.12 1.78 0.74 -1.26 -1.26 119.66 121.40 1xqq s GLN 49 Ca 0.06 0.74 -0.25 0.00 0.05 0.00 0.00 55.36 55.96 1xqq s GLN 49 Cb -0.07 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 1xqq s GLN 49 CO 0.03 0.58 0.80 -0.51 -0.55 0.00 0.00 175.29 175.64 1xqq s LEU 50 N -0.90 4.23 0.19 3.68 1.43 -0.24 -4.95 118.68 122.13 1xqq s LEU 50 Ca 0.29 1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 54.36 1xqq s LEU 50 Cb -0.19 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 1xqq s LEU 50 CO 0.19 -0.30 0.80 -0.70 0.23 0.00 0.00 176.35 176.57 1xqq s GLU 51 N 1.64 4.56 0.06 1.70 2.56 -1.26 -4.74 118.70 123.21 1xqq s GLU 51 Ca 0.39 1.17 -0.28 0.00 0.00 0.00 0.00 54.97 56.25 1xqq s GLU 51 Cb -0.17 -3.17 -0.15 0.00 2.00 0.00 0.00 34.13 32.64 1xqq s GLU 51 CO 0.16 0.52 1.43 -0.44 -0.56 0.00 0.00 175.26 176.36 1xqq h ASP 52 N 4.09 -0.98 -0.13 -1.70 5.19 -1.97 -2.94 116.42 117.99 1xqq h ASP 52 Ca -0.47 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 55.94 1xqq h ASP 52 Cb 1.20 0.29 -0.04 0.00 0.18 0.00 0.00 39.33 40.97 1xqq h ASP 52 CO 0.66 -0.57 0.07 0.61 -3.12 0.00 0.00 179.24 176.90 1xqq n GLY 53 N -1.47 2.23 3.84 2.75 0.00 -1.26 -2.14 105.19 109.13 1xqq n GLY 53 Ca -0.11 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.62 3.06 0.62 1.61 1.81 -1.11 -4.95 118.95 119.37 1xqq s ARG 54 Ca 0.08 -0.76 0.06 0.00 -1.72 0.00 0.00 55.73 53.39 1xqq s ARG 54 Cb 0.07 -2.76 0.10 0.00 -0.45 0.00 0.00 34.95 31.91 1xqq s ARG 54 CO 0.02 0.51 0.85 0.95 -0.68 0.00 0.00 175.30 176.95 1xqq s THR 55 N -1.69 2.20 0.25 0.02 -4.23 -1.26 -1.95 115.64 108.98 1xqq s THR 55 Ca 0.32 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1xqq s THR 55 Cb -0.11 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1xqq s THR 55 CO 0.25 0.00 1.62 -0.07 -0.54 0.00 0.00 174.62 175.88 1xqq h LEU 56 N -0.05 0.42 -2.26 4.79 3.38 -1.31 -3.15 115.31 117.13 1xqq h LEU 56 Ca -0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1xqq h LEU 56 Cb 1.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xqq h LEU 56 CO 0.41 0.81 -0.03 0.28 0.09 0.00 0.00 178.44 180.00 1xqq h SER 57 N 0.32 0.00 0.05 -0.43 0.02 -1.70 0.78 113.55 112.59 1xqq h SER 57 Ca 0.02 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.70 1xqq h SER 57 Cb 0.92 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.48 1xqq h SER 57 CO 0.08 0.03 -1.07 0.44 -1.14 0.00 0.00 176.83 175.17 1xqq h ASP 58 N 0.00 0.88 -0.13 3.07 3.32 -1.87 -3.23 116.42 118.47 1xqq h ASP 58 Ca -0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1xqq h ASP 58 Cb 0.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1xqq h ASP 58 CO 0.00 1.52 0.00 -1.22 -1.72 0.00 0.00 179.24 177.83 1xqq n TYR 59 N -3.84 0.16 -1.72 4.55 4.01 -0.74 -4.95 117.16 114.64 1xqq n TYR 59 Ca -0.11 -0.08 -0.07 0.00 -0.16 0.00 0.00 57.90 57.48 1xqq n TYR 59 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.91 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 0.32 -3.22 -4.70 7.72 4.13 0.15 -5.00 115.26 114.67 1xqq n ASN 60 Ca 0.17 0.08 -0.41 0.00 1.68 0.00 0.00 54.58 56.10 1xqq n ASN 60 Cb 0.35 -2.01 -0.04 0.00 -1.54 0.00 0.00 39.78 36.54 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 -2.32 4.93 0.00 2.41 1.01 -0.52 -4.97 121.20 121.74 1xqq s ILE 61 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1xqq s ILE 61 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1xqq s ILE 61 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 174.94 175.08 1xqq n GLN 62 N 4.34 2.73 -2.97 2.79 6.02 -1.26 -4.26 117.38 124.76 1xqq n GLN 62 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 1xqq n GLN 62 Cb 0.50 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.70 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 1.44 4.37 0.00 -1.09 -2.85 -1.26 -3.69 119.74 116.65 1xqq s LYS 63 Ca 0.00 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 1xqq s LYS 63 Cb 0.00 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 1xqq s LYS 63 CO 0.00 0.33 0.00 -1.91 0.10 0.00 0.00 175.35 173.87 1xqq n GLU 64 N 0.57 0.00 -2.95 1.78 2.13 -0.89 -5.02 120.64 116.26 1xqq n GLU 64 Ca -0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1xqq n GLU 64 Cb 0.51 -1.85 -0.05 0.00 0.27 0.00 0.00 31.44 30.32 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xqq s SER 65 N -2.31 6.72 -0.39 4.31 0.15 -1.24 -4.71 113.70 116.23 1xqq s SER 65 Ca 0.00 1.33 -0.19 0.00 0.70 0.00 0.00 55.95 57.79 1xqq s SER 65 Cb 0.00 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1xqq s SER 65 CO 0.00 -0.31 0.56 -0.89 1.20 0.00 0.00 173.24 173.79 1xqq s THR 66 N -2.17 4.95 0.57 6.45 2.01 -1.26 -1.06 115.64 125.14 1xqq s THR 66 Ca 0.55 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 1xqq s THR 66 Cb -0.10 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1xqq s THR 66 CO 0.22 -0.38 0.83 -0.76 -0.69 0.00 0.00 174.62 173.83 1xqq s LEU 67 N 2.53 3.23 -0.04 4.42 1.43 0.31 -4.93 118.68 125.62 1xqq s LEU 67 Ca 0.20 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1xqq s LEU 67 Cb -0.15 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.01 1xqq s LEU 67 CO 0.15 -1.16 -0.11 -2.28 0.23 0.00 0.00 176.35 173.19 1xqq s HIS 68 N -2.87 1.20 -0.16 0.29 5.65 -1.02 -1.03 115.29 117.35 1xqq s HIS 68 Ca 0.56 -0.37 -0.08 0.00 0.25 0.00 0.00 55.06 55.43 1xqq s HIS 68 Cb -0.10 -0.88 -0.04 0.00 -1.18 0.00 0.00 32.58 30.38 1xqq s HIS 68 CO 0.41 -0.18 0.09 -1.17 -0.65 0.00 0.00 174.74 173.24 1xqq s LEU 69 N 0.42 4.05 0.16 8.88 2.96 0.13 -0.68 118.68 134.60 1xqq s LEU 69 Ca -0.08 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1xqq s LEU 69 Cb -0.12 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1xqq s LEU 69 CO 0.02 0.25 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1xqq s VAL 70 N -0.09 1.12 0.26 1.68 1.01 0.35 -2.87 120.40 121.86 1xqq s VAL 70 Ca 0.08 -2.05 0.10 0.00 0.00 0.00 0.00 61.98 60.11 1xqq s VAL 70 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1xqq s VAL 70 CO 0.01 -0.66 -0.03 -0.76 0.00 0.00 0.00 175.10 173.65 1xqq s LEU 71 N -3.19 3.12 0.22 3.92 1.43 -1.26 -1.09 118.68 121.83 1xqq s LEU 71 Ca 0.19 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1xqq s LEU 71 Cb 0.03 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1xqq s LEU 71 CO 0.02 0.01 0.07 0.00 0.23 0.00 0.00 176.35 176.68 1xqq s ARG 72 N -3.63 1.28 -0.23 1.70 1.70 -0.36 -4.86 118.95 114.55 1xqq s ARG 72 Ca 0.31 -1.67 -0.17 0.00 -0.47 0.00 0.00 55.73 53.73 1xqq s ARG 72 Cb -0.06 -0.18 -0.14 0.00 -0.57 0.00 0.00 34.95 33.99 1xqq s ARG 72 CO 0.19 -0.26 -0.09 -0.11 -1.08 0.00 0.00 175.30 173.95 1xqq n LEU 73 N -0.37 1.90 -3.95 -1.89 7.94 -1.26 -4.60 117.00 114.78 1xqq n LEU 73 Ca -0.02 0.40 -0.10 0.00 -1.11 0.00 0.00 56.01 55.18 1xqq n LEU 73 Cb 0.65 -0.88 -0.10 0.00 0.53 0.00 0.00 43.42 43.62 1xqq n LEU 73 CO 0.36 0.32 -0.28 -0.60 -1.11 0.00 0.00 177.39 176.07 1xqq s ARG 74 N -2.45 0.44 0.08 1.96 3.52 -1.26 -4.86 118.95 116.38 1xqq s ARG 74 Ca -0.32 -0.63 -0.06 0.00 -0.13 0.00 0.00 55.73 54.59 1xqq s ARG 74 Cb 0.09 0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 1xqq s ARG 74 CO 0.51 -0.09 0.12 0.20 -0.81 0.00 0.00 175.30 175.23 1xqq s GLY 75 N -1.69 0.22 0.00 8.12 0.00 -1.26 -5.05 107.32 107.65 1xqq s GLY 75 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1xqq s GLY 75 CO -0.02 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 172.72