#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 2.61 0.13 3.17 -2.07 -1.26 -1.63 119.66 120.61 1xqq s GLN 2 Ca 0.00 -0.64 0.06 0.00 -1.82 0.00 0.00 55.36 52.97 1xqq s GLN 2 Cb 0.00 -2.49 -0.04 0.00 -1.09 0.00 0.00 33.01 29.40 1xqq s GLN 2 CO 0.00 0.64 -0.15 0.96 -1.32 0.00 0.00 175.29 175.42 1xqq s ILE 3 N -0.80 1.41 -0.33 3.63 -4.36 -0.36 -0.77 121.20 119.62 1xqq s ILE 3 Ca 0.13 -1.73 -0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1xqq s ILE 3 Cb -0.11 -1.57 0.06 0.00 1.25 0.00 0.00 42.46 42.09 1xqq s ILE 3 CO 0.02 -0.39 0.06 -0.36 0.24 0.00 0.00 174.94 174.52 1xqq s PHE 4 N -2.08 3.33 -0.44 1.37 0.08 -0.43 -1.44 117.98 118.38 1xqq s PHE 4 Ca 0.10 -1.90 -0.13 0.00 0.12 0.00 0.00 56.93 55.11 1xqq s PHE 4 Cb -0.05 -2.38 0.06 0.00 -0.57 0.00 0.00 43.02 40.08 1xqq s PHE 4 CO 0.04 -0.82 0.33 0.08 -0.10 0.00 0.00 175.22 174.74 1xqq s VAL 5 N 1.26 4.93 -0.11 -0.44 1.01 -0.05 -0.50 120.40 126.49 1xqq s VAL 5 Ca -0.02 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1xqq s VAL 5 Cb -0.20 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1xqq s VAL 5 CO -0.01 -0.49 0.59 -0.54 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 1.59 4.36 0.73 2.72 1.02 -0.10 -1.02 119.74 129.03 1xqq s LYS 6 Ca 0.04 0.64 -0.11 0.00 0.02 0.00 0.00 55.97 56.55 1xqq s LYS 6 Cb -0.23 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 1xqq s LYS 6 CO 0.06 0.06 1.10 0.95 -0.92 0.00 0.00 175.35 176.59 1xqq s THR 7 N 0.91 3.40 -0.19 2.17 -4.23 -0.24 -1.71 115.64 115.75 1xqq s THR 7 Ca 0.31 0.46 0.22 0.00 -1.18 0.00 0.00 61.69 61.49 1xqq s THR 7 Cb -0.16 -3.38 0.23 0.00 1.34 0.00 0.00 72.50 70.53 1xqq s THR 7 CO 0.13 -0.59 1.63 -0.07 -0.54 0.00 0.00 174.62 175.18 1xqq h LEU 8 N -0.76 0.00 0.00 4.79 3.38 -1.91 -3.36 115.31 117.44 1xqq h LEU 8 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 8 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 8 CO 0.62 0.21 -0.14 0.35 0.09 0.00 0.00 178.44 179.58 1xqq n THR 9 N -3.19 0.31 0.00 0.22 -2.24 -1.26 -5.07 114.28 103.05 1xqq n THR 9 Ca 0.02 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1xqq n THR 9 Cb 0.56 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.66 -2.07 3.51 3.38 0.00 -1.26 -5.14 105.19 105.27 1xqq n GLY 10 Ca -0.02 1.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.91 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 0.61 -0.39 1.61 2.20 -1.26 -4.98 119.74 117.53 1xqq s LYS 11 Ca 0.00 1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 56.54 1xqq s LYS 11 Cb 0.00 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1xqq s LYS 11 CO 0.00 -0.14 0.22 0.99 -0.36 0.00 0.00 175.35 176.05 1xqq s THR 12 N 1.35 4.37 -0.31 3.43 2.01 -1.26 -1.08 115.64 124.15 1xqq s THR 12 Ca -0.08 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 60.60 1xqq s THR 12 Cb -0.06 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1xqq s THR 12 CO -0.14 -0.33 0.79 -0.63 -0.69 0.00 0.00 174.62 173.61 1xqq s ILE 13 N 1.49 4.79 -0.17 1.82 1.01 -0.19 -4.91 121.20 125.04 1xqq s ILE 13 Ca 0.02 1.16 -0.16 0.00 0.00 0.00 0.00 60.65 61.67 1xqq s ILE 13 Cb -0.21 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1xqq s ILE 13 CO 0.05 -0.26 0.41 -0.89 0.00 0.00 0.00 174.94 174.25 1xqq s THR 14 N 2.96 5.21 -0.09 2.92 2.01 -1.26 -0.88 115.64 126.52 1xqq s THR 14 Ca 0.32 0.76 0.04 0.00 0.31 0.00 0.00 61.69 63.11 1xqq s THR 14 Cb -0.14 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1xqq s THR 14 CO 0.13 0.29 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.39 1xqq s LEU 15 N 1.00 2.33 -0.49 4.42 1.43 -0.52 -4.97 118.68 121.88 1xqq s LEU 15 Ca 0.21 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 1xqq s LEU 15 Cb -0.14 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1xqq s LEU 15 CO 0.08 0.21 0.68 -1.61 0.23 0.00 0.00 176.35 175.94 1xqq s GLU 16 N 0.05 3.21 0.34 1.70 2.02 -1.26 -1.22 118.70 123.54 1xqq s GLU 16 Ca -0.08 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.37 1xqq s GLU 16 Cb -0.15 -4.04 -0.07 0.00 0.10 0.00 0.00 34.13 29.97 1xqq s GLU 16 CO 0.05 -1.19 -0.03 0.14 0.02 0.00 0.00 175.26 174.24 1xqq s VAL 17 N 2.92 1.85 -0.04 2.63 -7.23 -0.65 -4.88 120.40 114.99 1xqq s VAL 17 Ca 0.20 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1xqq s VAL 17 Cb -0.16 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1xqq s VAL 17 CO 0.15 -0.15 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.97 1xqq s GLU 18 N -3.71 2.38 0.00 4.82 2.02 -1.26 -0.50 118.70 122.45 1xqq s GLU 18 Ca 0.33 -0.85 0.11 0.00 0.02 0.00 0.00 54.97 54.58 1xqq s GLU 18 Cb 0.06 -2.19 0.47 0.00 0.10 0.00 0.00 34.13 32.57 1xqq s GLU 18 CO 0.15 0.52 1.35 -0.35 0.02 0.00 0.00 175.26 176.95 1xqq n PRO 19 N 2.58 0.00 0.10 0.39 -0.04 -1.26 -1.98 135.00 134.79 1xqq n PRO 19 Ca -0.17 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1xqq n PRO 19 Cb 0.52 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 1xqq n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xqq n SER 20 N -1.50 0.70 -4.74 3.54 2.88 -1.26 0.12 113.62 113.36 1xqq n SER 20 Ca 0.03 0.60 -0.26 0.00 -1.33 0.00 0.00 58.87 57.90 1xqq n SER 20 Cb 0.13 -0.77 0.10 0.00 -0.75 0.00 0.00 64.21 62.91 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xqq s ASP 21 N -4.31 4.41 0.20 -3.46 1.01 -0.84 -4.78 116.67 108.90 1xqq s ASP 21 Ca 0.09 0.32 0.05 0.00 0.71 0.00 0.00 52.55 53.71 1xqq s ASP 21 Cb 0.12 -0.80 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 1xqq s ASP 21 CO 0.52 -1.87 0.22 0.42 0.21 0.00 0.00 175.17 174.67 1xqq s THR 22 N -3.37 4.79 0.37 -1.27 -4.23 -1.26 -1.31 115.64 109.36 1xqq s THR 22 Ca 0.64 -1.06 0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1xqq s THR 22 Cb -0.09 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.57 1xqq s THR 22 CO 0.46 -0.20 1.87 0.40 -0.54 0.00 0.00 174.62 176.61 1xqq h ILE 23 N 1.67 0.80 -0.36 2.99 1.08 -1.33 -0.87 117.51 121.48 1xqq h ILE 23 Ca -0.49 -0.21 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 1xqq h ILE 23 Cb 1.21 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1xqq h ILE 23 CO 0.63 0.11 0.41 -0.08 -0.69 0.00 0.00 178.15 178.53 1xqq h GLU 24 N 0.62 0.00 0.00 2.37 4.57 -1.16 0.50 114.58 121.48 1xqq h GLU 24 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1xqq h GLU 24 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1xqq h GLU 24 CO -0.20 0.00 -0.72 -0.91 -1.18 0.00 0.00 179.01 176.01 1xqq h ASN 25 N 0.00 0.00 -0.02 1.04 -0.26 -1.45 -2.59 115.58 112.30 1xqq h ASN 25 Ca 0.17 -0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.71 1xqq h ASN 25 Cb 0.98 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.25 1xqq h ASN 25 CO -0.00 0.02 -0.59 0.58 -1.06 0.00 0.00 177.43 176.38 1xqq h VAL 26 N 0.00 1.41 -0.62 2.81 2.07 -0.94 -1.42 116.25 119.57 1xqq h VAL 26 Ca 0.00 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 1xqq h VAL 26 Cb 0.94 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1xqq h VAL 26 CO 0.00 0.60 0.24 0.11 0.02 0.00 0.00 177.57 178.53 1xqq h LYS 27 N -0.05 0.92 0.00 1.57 1.57 -1.43 -1.35 116.57 117.79 1xqq h LYS 27 Ca -0.07 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1xqq h LYS 27 Cb 1.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1xqq h LYS 27 CO 0.12 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 1xqq h ALA 28 N 1.36 1.00 0.00 3.86 0.00 -1.26 -0.85 119.26 123.38 1xqq h ALA 28 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1xqq h ALA 28 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xqq h ALA 28 CO -0.02 0.00 -0.81 0.87 0.00 0.00 0.00 179.25 179.29 1xqq h LYS 29 N 0.00 0.00 -0.32 0.00 1.57 -0.13 -2.09 116.57 115.60 1xqq h LYS 29 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xqq h LYS 29 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xqq h LYS 29 CO 0.00 0.81 0.08 0.82 -0.57 0.00 0.00 179.45 180.59 1xqq h ILE 30 N 0.00 1.22 -0.60 1.86 2.04 -1.21 -1.83 117.51 118.99 1xqq h ILE 30 Ca -0.01 -0.73 0.12 0.00 1.00 0.00 0.00 64.86 65.24 1xqq h ILE 30 Cb 1.48 1.10 -0.11 0.00 -0.74 0.00 0.00 36.82 38.55 1xqq h ILE 30 CO 0.11 0.24 -0.15 -0.61 0.00 0.00 0.00 178.15 177.74 1xqq h GLN 31 N 0.35 0.00 0.43 2.37 4.15 -1.05 0.65 115.11 122.01 1xqq h GLN 31 Ca 0.10 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1xqq h GLN 31 Cb 0.29 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1xqq h GLN 31 CO 0.00 0.00 -0.22 0.22 -1.93 0.00 0.00 178.83 176.90 1xqq h ASP 32 N 0.00 -0.53 0.00 -0.69 3.58 -1.46 -3.22 116.42 114.11 1xqq h ASP 32 Ca 0.29 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1xqq h ASP 32 Cb 0.44 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1xqq h ASP 32 CO -0.62 -0.36 0.00 0.29 -2.88 0.00 0.00 179.24 175.67 1xqq n LYS 33 N -3.64 0.00 0.12 0.28 5.02 -0.69 -4.45 118.16 114.80 1xqq n LYS 33 Ca -0.07 0.42 -0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1xqq n LYS 33 Cb 0.24 -1.06 0.18 0.00 -0.02 0.00 0.00 35.03 34.36 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 0.10 -2.10 1.97 4.39 -1.10 -3.48 114.58 114.36 1xqq h GLU 34 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 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 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1xqq n GLY 35 N 0.15 0.55 3.53 -3.84 0.00 -0.54 -5.02 105.19 100.02 1xqq n GLY 35 Ca -0.02 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.90 3.31 0.92 -0.61 -1.09 -1.25 -4.98 121.20 114.60 1xqq s ILE 36 Ca 0.00 -0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1xqq s ILE 36 Cb 0.00 -2.39 0.14 0.00 -1.58 0.00 0.00 42.46 38.63 1xqq s ILE 36 CO 0.00 0.45 1.11 -2.84 -1.23 0.00 0.00 174.94 172.43 1xqq s PRO 37 N -1.20 1.05 0.08 2.79 0.02 -1.26 -3.72 135.00 132.76 1xqq s PRO 37 Ca 0.15 0.49 0.27 0.00 0.02 0.00 0.00 61.00 61.93 1xqq s PRO 37 Cb -0.11 -1.81 0.94 0.00 0.02 0.00 0.00 34.50 33.54 1xqq s PRO 37 CO 0.05 -2.30 1.77 -0.35 -0.33 0.00 0.00 177.00 175.83 1xqq n PRO 38 N -3.87 0.11 0.06 5.54 -0.04 -1.26 -3.06 135.00 132.47 1xqq n PRO 38 Ca 0.06 0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1xqq n PRO 38 Cb 0.58 -1.61 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.36 0.20 3.54 3.32 -1.97 -3.28 116.42 118.60 1xqq h ASP 39 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1xqq h ASP 39 Cb 0.60 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1xqq h ASP 39 CO 0.00 0.62 -0.68 0.00 -1.72 0.00 0.00 179.24 177.46 1xqq n GLN 40 N -4.14 0.23 -3.00 3.56 6.02 -1.17 -4.86 117.38 114.02 1xqq n GLN 40 Ca -0.01 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1xqq n GLN 40 Cb 0.39 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.89 4.21 -0.16 -1.09 -0.21 -1.23 -0.80 119.66 117.49 1xqq s GLN 41 Ca 0.12 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.29 1xqq s GLN 41 Cb 0.17 -3.61 0.02 0.00 1.00 0.00 0.00 33.01 30.59 1xqq s GLN 41 CO 0.74 -0.36 -0.18 0.50 -2.12 0.00 0.00 175.29 173.87 1xqq s ARG 42 N 2.31 2.68 -0.10 2.91 3.52 0.12 -4.96 118.95 125.44 1xqq s ARG 42 Ca 0.32 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1xqq s ARG 42 Cb -0.16 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1xqq s ARG 42 CO 0.10 -0.18 0.02 -0.51 -0.81 0.00 0.00 175.30 173.91 1xqq s LEU 43 N 1.28 3.68 -0.00 -0.88 1.43 -1.26 -0.03 118.68 122.89 1xqq s LEU 43 Ca 0.03 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 43 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1xqq s LEU 43 CO -0.10 0.36 -0.20 -0.63 0.23 0.00 0.00 176.35 176.01 1xqq s ILE 44 N -0.78 2.57 -0.25 -0.59 1.01 0.13 -1.82 121.20 121.46 1xqq s ILE 44 Ca 0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 1xqq s ILE 44 Cb -0.12 -1.99 0.08 0.00 0.01 0.00 0.00 42.46 40.44 1xqq s ILE 44 CO 0.02 0.49 0.09 0.12 0.00 0.00 0.00 174.94 175.67 1xqq s PHE 45 N -0.76 0.78 0.00 3.97 5.36 -0.13 -0.59 117.98 126.62 1xqq s PHE 45 Ca 0.12 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 1xqq s PHE 45 Cb -0.10 -1.08 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 1xqq s PHE 45 CO 0.02 -0.73 0.00 0.00 -1.46 0.00 0.00 175.22 173.05 1xqq n ALA 46 N 5.12 0.00 -0.51 11.12 0.00 -1.26 -3.14 120.51 131.84 1xqq n ALA 46 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.44 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.13 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 3.11 3.32 0.00 0.00 -1.26 -4.90 105.19 105.46 1xqq n GLY 47 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.37 1.01 0.12 1.61 0.00 -1.19 -5.17 119.74 113.76 1xqq s LYS 48 Ca 0.41 -0.56 0.04 0.00 0.00 0.00 0.00 55.97 55.87 1xqq s LYS 48 Cb 0.33 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.57 1xqq s LYS 48 CO 0.10 -0.37 0.10 -0.65 0.00 0.00 0.00 175.35 174.53 1xqq s GLN 49 N -3.23 2.86 0.21 1.78 1.11 -1.26 -0.95 119.66 120.17 1xqq s GLN 49 Ca -0.01 -0.80 -0.15 0.00 0.01 0.00 0.00 55.36 54.42 1xqq s GLN 49 Cb 0.01 -2.67 -0.08 0.00 -1.01 0.00 0.00 33.01 29.26 1xqq s GLN 49 CO -0.08 0.52 0.62 -0.51 0.01 0.00 0.00 175.29 175.85 1xqq s LEU 50 N -2.75 4.26 -0.12 2.90 1.43 -0.76 -4.89 118.68 118.75 1xqq s LEU 50 Ca 0.30 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 1xqq s LEU 50 Cb -0.11 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1xqq s LEU 50 CO 0.22 -0.00 0.12 -0.70 0.23 0.00 0.00 176.35 176.23 1xqq s GLU 51 N -2.32 3.44 0.10 1.70 2.12 -1.26 -4.82 118.70 117.66 1xqq s GLU 51 Ca 0.44 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1xqq s GLU 51 Cb -0.14 -3.16 -0.12 0.00 0.26 0.00 0.00 34.13 30.97 1xqq s GLU 51 CO 0.20 0.74 1.63 -0.44 -0.54 0.00 0.00 175.26 176.85 1xqq h ASP 52 N 5.11 -0.82 -0.65 -1.70 3.32 -1.97 -3.30 116.42 116.42 1xqq h ASP 52 Ca -0.54 0.07 -0.36 0.00 0.02 0.00 0.00 57.03 56.23 1xqq h ASP 52 Cb 1.22 0.28 -0.21 0.00 0.22 0.00 0.00 39.33 40.84 1xqq h ASP 52 CO 0.59 -0.43 0.20 0.61 -1.72 0.00 0.00 179.24 178.49 1xqq n GLY 53 N -1.42 4.95 3.93 2.75 0.00 -1.26 -0.62 105.19 113.53 1xqq n GLY 53 Ca -0.09 -1.37 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.34 2.66 0.48 1.61 0.52 -1.24 -4.97 118.95 114.67 1xqq s ARG 54 Ca 0.51 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 54.23 1xqq s ARG 54 Cb 0.44 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1xqq s ARG 54 CO 0.03 -0.23 0.82 0.95 0.02 0.00 0.00 175.30 176.89 1xqq s THR 55 N -2.42 4.85 0.29 0.02 -4.23 -1.26 -2.51 115.64 110.37 1xqq s THR 55 Ca 0.51 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1xqq s THR 55 Cb -0.06 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 69.97 1xqq s THR 55 CO 0.30 -0.81 1.68 -0.07 -0.54 0.00 0.00 174.62 175.18 1xqq h LEU 56 N 0.40 0.24 -0.98 4.79 3.38 -0.85 -3.06 115.31 119.23 1xqq h LEU 56 Ca -0.47 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.54 1xqq h LEU 56 Cb 1.20 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1xqq h LEU 56 CO 0.62 0.66 0.60 0.77 0.09 0.00 0.00 178.44 181.18 1xqq h SER 57 N 0.19 0.84 1.17 -0.43 4.64 -0.56 -1.09 113.55 118.31 1xqq h SER 57 Ca 0.01 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1xqq h SER 57 Cb 0.86 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1xqq h SER 57 CO 0.07 0.40 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.62 1xqq h ASP 58 N 0.89 0.00 0.03 4.97 3.58 -1.80 -1.43 116.42 122.66 1xqq h ASP 58 Ca 0.52 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1xqq h ASP 58 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1xqq h ASP 58 CO -0.31 0.03 -0.07 -1.22 -2.88 0.00 0.00 179.24 174.79 1xqq n TYR 59 N -3.13 0.00 -3.84 0.28 4.01 -1.17 -4.97 117.16 108.35 1xqq n TYR 59 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 1xqq n TYR 59 Cb 0.36 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.16 -4.87 -4.69 7.72 3.02 -0.54 -5.00 115.26 111.06 1xqq n ASN 60 Ca 0.17 -1.07 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 1xqq n ASN 60 Cb 0.39 -2.33 -0.05 0.00 -0.61 0.00 0.00 39.78 37.18 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -3.33 5.01 0.49 2.41 1.01 -0.42 -5.00 121.20 121.35 1xqq s ILE 61 Ca 0.33 1.43 0.02 0.00 0.00 0.00 0.00 60.65 62.42 1xqq s ILE 61 Cb -0.16 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1xqq s ILE 61 CO 0.91 0.17 0.06 -1.10 0.00 0.00 0.00 174.94 174.98 1xqq s GLN 62 N 1.34 2.14 0.47 2.79 -0.21 -1.26 -4.56 119.66 120.36 1xqq s GLN 62 Ca 0.36 -2.36 -0.23 0.00 0.02 0.00 0.00 55.36 53.15 1xqq s GLN 62 Cb -0.17 -1.11 -0.07 0.00 1.00 0.00 0.00 33.01 32.66 1xqq s GLN 62 CO 0.15 -0.47 1.22 -1.59 -2.12 0.00 0.00 175.29 172.48 1xqq s LYS 63 N -3.80 3.66 -1.12 2.91 -2.85 -1.26 -2.61 119.74 114.68 1xqq s LYS 63 Ca 0.10 1.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.97 1xqq s LYS 63 Cb 0.01 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 1xqq s LYS 63 CO 0.07 -0.67 0.00 0.39 0.10 0.00 0.00 175.35 175.24 1xqq n GLU 64 N -0.51 -1.90 -1.67 1.78 1.02 0.05 -4.96 120.64 114.44 1xqq n GLU 64 Ca 0.07 0.63 -0.39 0.00 -0.02 0.00 0.00 57.16 57.45 1xqq n GLU 64 Cb 0.47 -5.10 0.03 0.00 -0.02 0.00 0.00 31.44 26.82 1xqq n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xqq n SER 65 N -1.30 1.80 -4.60 1.62 7.64 -1.07 -4.74 113.62 112.96 1xqq n SER 65 Ca -0.14 0.97 -0.38 0.00 1.01 0.00 0.00 58.87 60.33 1xqq n SER 65 Cb 0.53 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.18 1xqq n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xqq s THR 66 N -1.33 5.27 0.27 0.44 2.01 -1.26 -1.31 115.64 119.72 1xqq s THR 66 Ca 0.68 0.30 0.09 0.00 0.31 0.00 0.00 61.69 63.07 1xqq s THR 66 Cb -0.47 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1xqq s THR 66 CO 0.52 0.23 0.08 -0.76 -0.69 0.00 0.00 174.62 174.01 1xqq s LEU 67 N 1.78 3.42 -0.11 4.42 1.02 0.34 -4.64 118.68 124.92 1xqq s LEU 67 Ca 0.10 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.74 1xqq s LEU 67 Cb -0.16 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 1xqq s LEU 67 CO 0.10 -0.04 -0.11 -1.00 0.02 0.00 0.00 176.35 175.32 1xqq s HIS 68 N -2.26 2.84 -0.30 0.29 3.76 0.24 -0.93 115.29 118.93 1xqq s HIS 68 Ca 0.32 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1xqq s HIS 68 Cb -0.07 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 1xqq s HIS 68 CO 0.22 -0.03 0.16 -1.17 -0.85 0.00 0.00 174.74 173.07 1xqq s LEU 69 N -0.03 4.01 -0.17 0.89 2.96 -0.69 -0.69 118.68 124.95 1xqq s LEU 69 Ca -0.02 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1xqq s LEU 69 Cb -0.14 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1xqq s LEU 69 CO 0.04 -0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.09 1xqq s VAL 70 N 1.66 2.61 -0.16 1.68 1.01 0.96 -4.02 120.40 124.14 1xqq s VAL 70 Ca 0.06 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1xqq s VAL 70 Cb -0.16 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1xqq s VAL 70 CO 0.07 0.51 0.19 -0.76 0.00 0.00 0.00 175.10 175.11 1xqq s LEU 71 N 1.04 4.27 0.00 3.92 1.43 -1.26 0.12 118.68 128.20 1xqq s LEU 71 Ca -0.01 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1xqq s LEU 71 Cb -0.15 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1xqq s LEU 71 CO -0.04 0.21 0.23 0.54 0.23 0.00 0.00 176.35 177.52 1xqq n ARG 72 N 3.15 0.92 -1.75 1.70 1.74 0.02 -4.97 116.66 117.48 1xqq n ARG 72 Ca -0.16 -2.68 -0.25 0.00 -0.77 0.00 0.00 57.85 53.99 1xqq n ARG 72 Cb 0.53 0.41 0.17 0.00 -1.02 0.00 0.00 32.46 32.54 1xqq n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xqq n LEU 73 N 0.00 0.00 -4.43 0.55 4.77 -1.26 -4.79 117.00 111.85 1xqq n LEU 73 Ca -0.05 -1.35 -0.44 0.00 -0.03 0.00 0.00 56.01 54.13 1xqq n LEU 73 Cb 0.48 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1xqq n LEU 73 CO 0.28 -1.28 1.14 -0.13 -1.33 0.00 0.00 177.39 176.07 1xqq s ARG 74 N -5.45 4.02 0.12 3.23 0.52 -1.26 -4.65 118.95 115.47 1xqq s ARG 74 Ca 0.65 -2.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.25 1xqq s ARG 74 Cb -0.02 -4.89 0.00 0.00 0.52 0.00 0.00 34.95 30.56 1xqq s ARG 74 CO 0.45 -1.62 0.00 0.41 0.02 0.00 0.00 175.30 174.56 1xqq n GLY 75 N 3.97 -1.40 0.00 -3.53 0.00 -1.26 -5.18 105.19 97.78 1xqq n GLY 75 Ca 0.31 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93