#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 2.68 0.37 3.17 -2.07 -1.26 -0.75 119.66 121.81 1xqq s GLN 2 Ca 0.00 -1.14 0.04 0.00 -1.82 0.00 0.00 55.36 52.44 1xqq s GLN 2 Cb 0.00 -2.43 -0.06 0.00 -1.09 0.00 0.00 33.01 29.43 1xqq s GLN 2 CO 0.00 0.41 0.05 0.96 -1.32 0.00 0.00 175.29 175.39 1xqq s ILE 3 N -2.10 1.28 0.07 3.63 -4.36 -0.45 -0.72 121.20 118.55 1xqq s ILE 3 Ca 0.32 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.79 1xqq s ILE 3 Cb -0.08 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 1xqq s ILE 3 CO 0.23 0.00 -0.22 -0.36 0.24 0.00 0.00 174.94 174.83 1xqq s PHE 4 N -3.11 1.90 -0.13 1.37 0.08 0.04 -2.67 117.98 115.45 1xqq s PHE 4 Ca 0.31 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1xqq s PHE 4 Cb 0.07 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1xqq s PHE 4 CO 0.15 0.15 -0.22 0.08 -0.10 0.00 0.00 175.22 175.28 1xqq s VAL 5 N -0.93 2.03 -0.08 -0.44 1.01 0.55 -0.65 120.40 121.90 1xqq s VAL 5 Ca 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1xqq s VAL 5 Cb -0.09 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1xqq s VAL 5 CO 0.03 0.55 0.03 -0.54 0.00 0.00 0.00 175.10 175.16 1xqq s LYS 6 N 0.74 3.05 0.00 2.72 -0.14 -0.04 0.08 119.74 126.15 1xqq s LYS 6 Ca -0.09 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 1xqq s LYS 6 Cb -0.16 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 1xqq s LYS 6 CO -0.00 0.71 0.00 0.25 -0.76 0.00 0.00 175.35 175.55 1xqq n THR 7 N 2.00 0.00 -0.05 2.17 -2.24 -0.99 -1.17 114.28 114.00 1xqq n THR 7 Ca -0.18 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1xqq n THR 7 Cb 0.54 -1.91 -0.13 0.00 -2.10 0.00 0.00 70.33 66.73 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.11 -0.58 3.22 5.85 -1.92 -3.35 115.31 118.64 1xqq h LEU 8 Ca 0.00 -0.87 -0.08 0.00 0.84 0.00 0.00 57.88 57.77 1xqq h LEU 8 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1xqq h LEU 8 CO 0.00 1.24 0.03 0.71 -0.34 0.00 0.00 178.44 180.08 1xqq h THR 9 N -0.83 1.26 0.00 1.05 1.35 -1.96 -3.48 112.91 110.30 1xqq h THR 9 Ca -0.14 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1xqq h THR 9 Cb 1.25 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1xqq h THR 9 CO -0.02 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1xqq n GLY 10 N -0.45 0.42 3.56 5.82 0.00 -1.26 -5.16 105.19 108.13 1xqq n GLY 10 Ca 0.02 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 2.35 -0.35 1.61 2.20 -1.26 -4.91 119.74 119.38 1xqq s LYS 11 Ca 0.00 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.72 1xqq s LYS 11 Cb 0.00 -2.39 0.07 0.00 -1.51 0.00 0.00 37.83 34.00 1xqq s LYS 11 CO 0.00 0.56 0.10 0.99 -0.36 0.00 0.00 175.35 176.64 1xqq s THR 12 N -1.04 3.31 -0.30 3.43 2.01 -1.26 -2.35 115.64 119.43 1xqq s THR 12 Ca 0.18 -1.54 -0.19 0.00 0.31 0.00 0.00 61.69 60.45 1xqq s THR 12 Cb -0.11 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1xqq s THR 12 CO 0.09 -0.32 0.55 -0.63 -0.69 0.00 0.00 174.62 173.62 1xqq s ILE 13 N 1.26 5.01 -0.14 1.82 1.01 0.11 -4.93 121.20 125.34 1xqq s ILE 13 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 1xqq s ILE 13 Cb -0.21 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1xqq s ILE 13 CO -0.01 -0.08 0.38 -0.89 0.00 0.00 0.00 174.94 174.34 1xqq s THR 14 N 2.44 5.25 0.01 2.92 2.01 -1.26 -0.33 115.64 126.68 1xqq s THR 14 Ca 0.22 0.75 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1xqq s THR 14 Cb -0.15 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1xqq s THR 14 CO 0.11 0.36 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.51 1xqq s LEU 15 N 0.54 2.09 -0.19 4.42 1.43 -1.09 -4.99 118.68 120.89 1xqq s LEU 15 Ca 0.21 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1xqq s LEU 15 Cb -0.14 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 1xqq s LEU 15 CO 0.07 0.10 0.26 -0.70 0.23 0.00 0.00 176.35 176.32 1xqq s GLU 16 N -0.69 4.20 0.33 1.70 2.12 -1.26 -1.34 118.70 123.76 1xqq s GLU 16 Ca 0.03 0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.32 1xqq s GLU 16 Cb -0.06 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1xqq s GLU 16 CO 0.00 0.16 0.49 0.14 -0.54 0.00 0.00 175.26 175.51 1xqq s VAL 17 N 0.72 0.00 0.56 3.70 -7.23 0.07 -4.99 120.40 113.23 1xqq s VAL 17 Ca 0.14 -1.54 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1xqq s VAL 17 Cb -0.13 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.27 1xqq s VAL 17 CO 0.04 0.00 0.38 -1.61 -0.31 0.00 0.00 175.10 173.60 1xqq s GLU 18 N -3.19 2.24 0.48 4.82 2.02 -1.26 0.30 118.70 124.10 1xqq s GLU 18 Ca 0.28 -2.10 0.27 0.00 0.02 0.00 0.00 54.97 53.45 1xqq s GLU 18 Cb -0.01 -2.03 1.06 0.00 0.10 0.00 0.00 34.13 33.25 1xqq s GLU 18 CO 0.18 -0.65 1.88 -1.35 0.02 0.00 0.00 175.26 175.33 1xqq h PRO 19 N 0.75 0.00 -0.12 0.39 0.11 -1.96 -3.29 132.00 127.88 1xqq h PRO 19 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xqq h PRO 19 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xqq h PRO 19 CO 0.58 0.14 0.00 0.43 -0.21 0.00 0.00 178.00 178.94 1xqq n SER 20 N -3.29 2.44 -4.78 -2.05 7.64 -1.26 -0.32 113.62 112.00 1xqq n SER 20 Ca 0.00 -1.81 -0.39 0.00 1.01 0.00 0.00 58.87 57.68 1xqq n SER 20 Cb 0.39 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.82 7.31 0.81 6.43 1.01 -1.24 -4.87 116.67 124.30 1xqq s ASP 21 Ca 0.34 1.56 -0.12 0.00 0.71 0.00 0.00 52.55 55.03 1xqq s ASP 21 Cb 0.20 -2.47 0.08 0.00 1.01 0.00 0.00 42.92 41.74 1xqq s ASP 21 CO 0.31 0.21 1.12 0.42 0.21 0.00 0.00 175.17 177.43 1xqq s THR 22 N -1.06 2.76 -0.04 -1.27 -4.23 -1.26 -1.83 115.64 108.71 1xqq s THR 22 Ca 0.35 0.25 0.31 0.00 -1.18 0.00 0.00 61.69 61.42 1xqq s THR 22 Cb -0.22 -3.06 0.36 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 22 CO 0.25 -0.32 1.92 0.40 -0.54 0.00 0.00 174.62 176.32 1xqq h ILE 23 N -1.11 0.00 -0.05 2.99 1.08 -0.46 -2.24 117.51 117.73 1xqq h ILE 23 Ca -0.47 -0.47 -0.11 0.00 -0.39 0.00 0.00 64.86 63.42 1xqq h ILE 23 Cb 1.29 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1xqq h ILE 23 CO 0.61 0.00 -0.46 -0.08 -0.69 0.00 0.00 178.15 177.53 1xqq h GLU 24 N 0.00 0.11 -0.49 2.37 4.81 -1.32 0.16 114.58 120.22 1xqq h GLU 24 Ca 0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1xqq h GLU 24 Cb 0.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xqq h GLU 24 CO 0.00 0.56 0.01 -0.91 -0.73 0.00 0.00 179.01 177.93 1xqq h ASN 25 N 0.09 0.84 0.10 1.04 4.21 -1.71 -2.99 115.58 117.16 1xqq h ASN 25 Ca 0.00 -0.30 -0.00 0.00 1.21 0.00 0.00 56.30 57.21 1xqq h ASN 25 Cb 0.86 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1xqq h ASN 25 CO 0.07 0.94 -0.05 0.58 -1.29 0.00 0.00 177.43 177.67 1xqq h VAL 26 N 0.72 1.01 0.00 2.81 2.07 -0.74 -3.12 116.25 119.00 1xqq h VAL 26 Ca 0.14 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1xqq h VAL 26 Cb 0.50 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xqq h VAL 26 CO 0.02 0.10 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1xqq h LYS 27 N -0.32 0.00 0.00 1.57 1.57 -0.73 -1.24 116.57 117.43 1xqq h LYS 27 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 27 CO 0.02 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 178.61 1xqq h ALA 28 N 2.00 1.27 0.00 3.86 0.00 -1.45 -1.31 119.26 123.62 1xqq h ALA 28 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xqq h ALA 28 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xqq h ALA 28 CO 0.00 0.37 -1.37 1.63 0.00 0.00 0.00 179.25 179.88 1xqq n LYS 29 N -3.83 0.63 -0.01 0.00 5.02 -0.49 -2.43 118.16 117.04 1xqq n LYS 29 Ca -0.01 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 1xqq n LYS 29 Cb 0.38 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xqq h ILE 30 N 0.00 1.42 -0.35 -0.18 2.04 -1.40 -2.41 117.51 116.62 1xqq h ILE 30 Ca -0.02 -1.99 0.09 0.00 1.00 0.00 0.00 64.86 63.94 1xqq h ILE 30 Cb 1.06 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1xqq h ILE 30 CO 0.00 0.58 0.25 -0.61 0.00 0.00 0.00 178.15 178.37 1xqq h GLN 31 N -0.09 0.07 0.11 2.37 4.15 -1.31 0.30 115.11 120.71 1xqq h GLN 31 Ca -0.06 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1xqq h GLN 31 Cb 1.23 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1xqq h GLN 31 CO 0.11 0.04 -0.05 0.22 -1.93 0.00 0.00 178.83 177.22 1xqq h ASP 32 N 0.07 -0.13 0.69 -0.69 3.58 -1.50 -1.39 116.42 117.05 1xqq h ASP 32 Ca 0.16 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 1xqq h ASP 32 Cb 0.57 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.66 1xqq h ASP 32 CO -0.01 0.44 -0.33 0.11 -2.88 0.00 0.00 179.24 176.57 1xqq h LYS 33 N -0.77 -0.89 0.00 0.28 1.57 -1.23 -3.40 116.57 112.13 1xqq h LYS 33 Ca -0.02 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xqq h LYS 33 Cb 0.56 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1xqq h LYS 33 CO 0.03 -0.59 -1.05 0.39 -0.57 0.00 0.00 179.45 177.66 1xqq n GLU 34 N -5.39 0.13 -1.82 3.15 -0.58 0.10 -4.98 120.64 111.25 1xqq n GLU 34 Ca -0.12 -0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.55 1xqq n GLU 34 Cb 0.37 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 1.45 0.34 3.39 0.62 0.00 -0.52 -5.00 105.19 105.46 1xqq n GLY 35 Ca 0.03 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.25 4.76 0.81 -0.61 1.01 -1.26 -4.99 121.20 118.67 1xqq s ILE 36 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1xqq s ILE 36 Cb 0.00 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.86 1xqq s ILE 36 CO 0.00 -0.30 1.12 -2.16 0.00 0.00 0.00 174.94 173.60 1xqq s PRO 37 N 1.58 1.99 0.47 2.79 0.04 -1.26 -3.95 135.00 136.66 1xqq s PRO 37 Ca 0.03 0.44 0.27 0.00 0.04 0.00 0.00 61.00 61.78 1xqq s PRO 37 Cb -0.20 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 33.22 1xqq s PRO 37 CO 0.07 -1.64 1.78 -1.00 0.04 0.00 0.00 177.00 176.24 1xqq h PRO 38 N -1.10 0.00 0.00 0.56 0.13 -1.93 -2.30 132.00 127.36 1xqq h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xqq h PRO 38 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xqq h PRO 38 CO 0.62 0.06 -0.32 0.38 -0.23 0.00 0.00 178.00 178.52 1xqq h ASP 39 N 0.00 0.00 0.83 1.44 2.03 -1.99 -3.29 116.42 115.44 1xqq h ASP 39 Ca -0.00 -0.05 -0.22 0.00 -0.73 0.00 0.00 57.03 56.03 1xqq h ASP 39 Cb 0.80 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.28 1xqq h ASP 39 CO 0.01 0.02 -1.03 -0.61 -1.03 0.00 0.00 179.24 176.60 1xqq h GLN 40 N 0.00 0.10 -5.87 4.15 4.15 -1.77 -3.46 115.11 112.42 1xqq h GLN 40 Ca 0.00 -0.15 -0.58 0.00 0.77 0.00 0.00 58.65 58.68 1xqq h GLN 40 Cb 0.87 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.56 1xqq h GLN 40 CO 0.00 1.04 -0.37 1.14 -1.93 0.00 0.00 178.83 178.70 1xqq s GLN 41 N -2.81 2.27 0.04 1.69 -2.07 -1.24 -0.46 119.66 117.09 1xqq s GLN 41 Ca -0.01 -1.98 0.04 0.00 -1.82 0.00 0.00 55.36 51.59 1xqq s GLN 41 Cb 0.09 -2.04 -0.02 0.00 -1.09 0.00 0.00 33.01 29.95 1xqq s GLN 41 CO 0.84 -0.45 -0.12 1.03 -1.32 0.00 0.00 175.29 175.27 1xqq s ARG 42 N -4.15 0.80 -0.12 9.60 0.52 0.65 -4.67 118.95 121.59 1xqq s ARG 42 Ca 0.34 -0.71 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1xqq s ARG 42 Cb -0.01 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.67 1xqq s ARG 42 CO 0.20 0.18 -0.04 -0.51 0.02 0.00 0.00 175.30 175.15 1xqq s LEU 43 N -1.14 3.27 0.03 2.53 1.43 -1.26 -2.56 118.68 120.98 1xqq s LEU 43 Ca -0.01 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1xqq s LEU 43 Cb -0.08 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1xqq s LEU 43 CO 0.01 0.26 -0.25 -0.63 0.23 0.00 0.00 176.35 175.97 1xqq s ILE 44 N -0.18 1.99 -0.31 -0.59 -1.09 -0.56 -1.72 121.20 118.73 1xqq s ILE 44 Ca 0.03 -1.25 -0.00 0.00 -2.23 0.00 0.00 60.65 57.20 1xqq s ILE 44 Cb -0.13 -1.69 0.10 0.00 -1.58 0.00 0.00 42.46 39.16 1xqq s ILE 44 CO 0.02 0.39 0.08 0.12 -1.23 0.00 0.00 174.94 174.33 1xqq s PHE 45 N -0.73 1.97 0.00 3.97 5.36 -0.66 -1.65 117.98 126.23 1xqq s PHE 45 Ca 0.10 -1.86 0.00 0.00 -0.96 0.00 0.00 56.93 54.21 1xqq s PHE 45 Cb -0.10 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1xqq s PHE 45 CO 0.01 -0.87 0.00 0.00 -1.46 0.00 0.00 175.22 172.90 1xqq n ALA 46 N 4.77 0.00 -0.02 11.12 0.00 -1.26 -1.32 120.51 133.81 1xqq n ALA 46 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xqq n ALA 46 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.84 3.67 0.00 0.00 -1.26 -4.95 105.19 101.82 1xqq n GLY 47 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N -3.19 4.30 0.05 1.61 2.20 -0.43 -5.00 119.74 119.28 1xqq s LYS 48 Ca -0.07 1.53 -0.20 0.00 -0.36 0.00 0.00 55.97 56.87 1xqq s LYS 48 Cb 0.11 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1xqq s LYS 48 CO 0.75 -0.56 0.58 1.14 -0.36 0.00 0.00 175.35 176.91 1xqq s GLN 49 N 2.87 4.25 -0.19 4.03 -2.07 -1.26 -1.66 119.66 125.63 1xqq s GLN 49 Ca 0.51 0.75 -0.06 0.00 -1.82 0.00 0.00 55.36 54.73 1xqq s GLN 49 Cb -0.20 -3.28 -0.03 0.00 -1.09 0.00 0.00 33.01 28.41 1xqq s GLN 49 CO 0.14 0.54 0.03 -0.51 -1.32 0.00 0.00 175.29 174.18 1xqq s LEU 50 N -0.79 3.54 0.38 2.60 1.43 -0.70 -4.97 118.68 120.18 1xqq s LEU 50 Ca 0.30 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 1xqq s LEU 50 Cb -0.19 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.04 1xqq s LEU 50 CO 0.19 0.13 1.00 -1.61 0.23 0.00 0.00 176.35 176.28 1xqq s GLU 51 N 0.65 4.30 0.10 1.70 0.41 -1.26 -4.63 118.70 119.96 1xqq s GLU 51 Ca 0.01 1.40 -0.18 0.00 -0.41 0.00 0.00 54.97 55.79 1xqq s GLU 51 Cb -0.14 -2.56 -0.06 0.00 -1.78 0.00 0.00 34.13 29.59 1xqq s GLU 51 CO 0.02 -0.00 1.55 -0.44 -0.49 0.00 0.00 175.26 175.90 1xqq h ASP 52 N 2.60 0.48 -0.58 -0.19 3.32 -1.98 -2.95 116.42 117.13 1xqq h ASP 52 Ca -0.48 -0.29 -0.36 0.00 0.02 0.00 0.00 57.03 55.92 1xqq h ASP 52 Cb 1.20 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 1xqq h ASP 52 CO 0.63 0.65 0.41 0.61 -1.72 0.00 0.00 179.24 179.82 1xqq n GLY 53 N -0.39 4.17 3.36 2.75 0.00 -1.26 -0.96 105.19 112.86 1xqq n GLY 53 Ca -0.03 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.81 1.35 0.48 1.61 1.81 -1.12 -4.97 118.95 116.31 1xqq s ARG 54 Ca 0.37 -1.52 -0.02 0.00 -1.72 0.00 0.00 55.73 52.84 1xqq s ARG 54 Cb 0.27 -1.33 -0.00 0.00 -0.45 0.00 0.00 34.95 33.44 1xqq s ARG 54 CO -0.04 0.25 0.73 0.95 -0.68 0.00 0.00 175.30 176.51 1xqq s THR 55 N -2.42 3.99 0.23 0.02 -4.23 -1.26 -1.10 115.64 110.87 1xqq s THR 55 Ca 0.20 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 1xqq s THR 55 Cb -0.04 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.49 1xqq s THR 55 CO 0.08 -0.40 1.78 -0.07 -0.54 0.00 0.00 174.62 175.47 1xqq h LEU 56 N 0.25 0.50 -0.83 4.79 3.38 -1.44 -2.33 115.31 119.63 1xqq h LEU 56 Ca -0.46 0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1xqq h LEU 56 Cb 1.25 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 1xqq h LEU 56 CO 0.58 0.28 0.48 -1.28 0.09 0.00 0.00 178.44 178.59 1xqq h SER 57 N 0.63 0.70 -0.96 -0.43 0.87 -0.95 -1.63 113.55 111.78 1xqq h SER 57 Ca 0.37 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 61.05 1xqq h SER 57 Cb 0.41 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 1xqq h SER 57 CO -0.28 0.40 0.62 0.44 -0.53 0.00 0.00 176.83 177.48 1xqq h ASP 58 N 0.81 0.96 1.11 6.23 3.32 -1.70 -0.31 116.42 126.85 1xqq h ASP 58 Ca 0.40 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1xqq h ASP 58 Cb 0.34 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xqq h ASP 58 CO -0.24 0.60 -0.25 -1.22 -1.72 0.00 0.00 179.24 176.41 1xqq n TYR 59 N -4.51 0.57 -3.35 4.55 4.01 -1.10 -4.97 117.16 112.36 1xqq n TYR 59 Ca 0.15 0.17 -0.16 0.00 -0.16 0.00 0.00 57.90 57.90 1xqq n TYR 59 Cb 0.22 -0.71 0.08 0.00 -0.31 0.00 0.00 39.34 38.62 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 -2.02 -3.09 -4.67 7.72 4.13 -0.13 -5.01 115.26 112.20 1xqq n ASN 60 Ca 0.05 -0.62 -0.40 0.00 1.68 0.00 0.00 54.58 55.28 1xqq n ASN 60 Cb 0.41 -5.02 -0.05 0.00 -1.54 0.00 0.00 39.78 33.57 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 -3.36 4.98 0.59 2.41 1.01 -0.70 -5.02 121.20 121.12 1xqq s ILE 61 Ca 0.10 1.33 0.10 0.00 0.00 0.00 0.00 60.65 62.18 1xqq s ILE 61 Cb -0.01 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.54 1xqq s ILE 61 CO 0.71 0.09 0.79 -1.10 0.00 0.00 0.00 174.94 175.43 1xqq s GLN 62 N 1.94 2.23 0.53 2.79 -0.21 -1.26 -4.69 119.66 120.99 1xqq s GLN 62 Ca 0.32 -1.73 -0.21 0.00 0.02 0.00 0.00 55.36 53.75 1xqq s GLN 62 Cb -0.16 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 1xqq s GLN 62 CO 0.11 -0.92 1.27 -1.59 -2.12 0.00 0.00 175.29 172.04 1xqq s LYS 63 N -4.67 3.28 -1.44 2.91 -2.85 -1.26 -3.53 119.74 112.17 1xqq s LYS 63 Ca 0.60 2.01 -0.13 0.00 -1.00 0.00 0.00 55.97 57.45 1xqq s LYS 63 Cb -0.05 -2.23 0.10 0.00 -2.06 0.00 0.00 37.83 33.60 1xqq s LYS 63 CO 0.38 -1.01 0.64 0.39 0.10 0.00 0.00 175.35 175.86 1xqq n GLU 64 N -0.99 -3.54 -4.12 1.78 1.02 0.10 -4.95 120.64 109.94 1xqq n GLU 64 Ca 0.10 0.44 -0.29 0.00 -0.02 0.00 0.00 57.16 57.39 1xqq n GLU 64 Cb 0.47 -5.18 -0.07 0.00 -0.02 0.00 0.00 31.44 26.63 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.97 5.13 -0.32 1.62 0.15 -1.23 -4.75 113.70 111.32 1xqq s SER 65 Ca 0.55 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.91 1xqq s SER 65 Cb -0.29 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1xqq s SER 65 CO 0.67 0.15 0.19 0.42 1.20 0.00 0.00 173.24 175.88 1xqq s THR 66 N -1.44 4.93 0.12 6.45 -4.23 -1.26 -0.78 115.64 119.43 1xqq s THR 66 Ca 0.27 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1xqq s THR 66 Cb -0.11 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 1xqq s THR 66 CO 0.20 0.03 0.34 -0.76 -0.54 0.00 0.00 174.62 173.88 1xqq s LEU 67 N 1.67 4.29 -0.12 4.79 1.02 0.18 -4.74 118.68 125.77 1xqq s LEU 67 Ca 0.05 0.53 0.01 0.00 0.02 0.00 0.00 54.13 54.74 1xqq s LEU 67 Cb -0.17 -3.19 -0.01 0.00 0.02 0.00 0.00 46.19 42.83 1xqq s LEU 67 CO 0.08 0.09 -0.14 -1.00 0.02 0.00 0.00 176.35 175.40 1xqq s HIS 68 N -1.60 2.78 -0.25 0.29 3.76 -0.66 -0.87 115.29 118.75 1xqq s HIS 68 Ca 0.39 -0.64 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1xqq s HIS 68 Cb -0.12 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1xqq s HIS 68 CO 0.25 -0.20 0.08 -1.17 -0.85 0.00 0.00 174.74 172.85 1xqq s LEU 69 N 0.26 3.54 0.04 0.89 0.20 -0.32 -1.50 118.68 121.79 1xqq s LEU 69 Ca -0.10 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.59 1xqq s LEU 69 Cb -0.16 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 1xqq s LEU 69 CO 0.06 -0.02 -0.09 0.68 -0.29 0.00 0.00 176.35 176.69 1xqq s VAL 70 N 1.52 0.67 0.45 1.68 -7.23 -1.06 -4.05 120.40 112.38 1xqq s VAL 70 Ca 0.06 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 1xqq s VAL 70 Cb -0.15 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 1xqq s VAL 70 CO 0.04 -0.21 0.91 -0.76 -0.31 0.00 0.00 175.10 174.77 1xqq s LEU 71 N -1.27 3.79 -0.17 1.32 1.43 -1.26 -0.25 118.68 122.28 1xqq s LEU 71 Ca -0.05 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1xqq s LEU 71 Cb -0.08 -4.38 -0.00 0.00 0.03 0.00 0.00 46.19 41.76 1xqq s LEU 71 CO 0.01 -0.45 1.05 -0.60 0.23 0.00 0.00 176.35 176.59 1xqq s ARG 72 N -3.68 4.33 0.41 1.70 3.52 0.40 -4.75 118.95 120.87 1xqq s ARG 72 Ca 0.58 1.41 -0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1xqq s ARG 72 Cb -0.10 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1xqq s ARG 72 CO 0.25 -0.50 0.64 -0.51 -0.81 0.00 0.00 175.30 174.36 1xqq s LEU 73 N 2.70 3.79 -0.33 -0.88 1.43 -1.26 -4.97 118.68 119.16 1xqq s LEU 73 Ca 0.47 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 1xqq s LEU 73 Cb -0.17 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1xqq s LEU 73 CO 0.12 -0.53 0.53 -0.60 0.23 0.00 0.00 176.35 176.10 1xqq s ARG 74 N -4.48 3.74 0.00 1.70 6.06 -1.26 -4.40 118.95 120.31 1xqq s ARG 74 Ca 0.45 -0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.66 1xqq s ARG 74 Cb -0.10 -3.77 0.00 0.00 0.06 0.00 0.00 34.95 31.14 1xqq s ARG 74 CO 0.38 -0.58 0.00 0.41 -2.50 0.00 0.00 175.30 173.01 1xqq n GLY 75 N 4.69 0.67 0.00 8.12 0.00 -1.26 -5.35 105.19 112.05 1xqq n GLY 75 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93