#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 4.24 0.05 3.17 -0.21 -1.26 0.32 119.66 125.97 1xqq s GLN 2 Ca 0.00 0.46 0.02 0.00 0.02 0.00 0.00 55.36 55.86 1xqq s GLN 2 Cb 0.00 -3.37 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 1xqq s GLN 2 CO 0.00 0.31 -0.08 0.96 -2.12 0.00 0.00 175.29 174.36 1xqq s ILE 3 N 0.12 0.58 -0.11 1.08 -4.36 -0.71 -0.13 121.20 117.69 1xqq s ILE 3 Ca 0.25 -1.15 -0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1xqq s ILE 3 Cb -0.16 -0.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.82 1xqq s ILE 3 CO 0.11 -0.41 -0.08 -0.36 0.24 0.00 0.00 174.94 174.45 1xqq s PHE 4 N -1.52 2.91 -0.20 1.37 0.08 -0.26 -0.72 117.98 119.63 1xqq s PHE 4 Ca -0.08 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 1xqq s PHE 4 Cb -0.09 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1xqq s PHE 4 CO 0.00 0.07 -0.10 0.08 -0.10 0.00 0.00 175.22 175.17 1xqq s VAL 5 N -0.16 2.87 -0.12 -0.44 1.01 -0.15 -0.87 120.40 122.55 1xqq s VAL 5 Ca 0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1xqq s VAL 5 Cb -0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1xqq s VAL 5 CO 0.03 0.47 0.57 -0.54 0.00 0.00 0.00 175.10 175.62 1xqq s LYS 6 N 1.38 4.33 0.00 2.72 1.02 -0.30 -2.19 119.74 126.71 1xqq s LYS 6 Ca 0.05 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1xqq s LYS 6 Cb -0.14 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1xqq s LYS 6 CO -0.07 0.04 0.00 0.25 -0.92 0.00 0.00 175.35 174.66 1xqq n THR 7 N 3.94 0.00 0.32 2.17 -2.24 -0.44 -0.17 114.28 117.86 1xqq n THR 7 Ca -0.04 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1xqq n THR 7 Cb 0.51 -1.98 -0.09 0.00 -2.10 0.00 0.00 70.33 66.68 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 -0.65 0.05 3.22 5.85 -1.85 -3.36 115.31 118.57 1xqq h LEU 8 Ca 0.00 0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.41 1xqq h LEU 8 Cb 0.00 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1xqq h LEU 8 CO 0.00 -0.46 -1.89 0.35 -0.34 0.00 0.00 178.44 176.10 1xqq n THR 9 N -5.42 1.67 0.00 1.05 -2.24 -1.26 -5.00 114.28 103.08 1xqq n THR 9 Ca -0.13 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1xqq n THR 9 Cb 0.32 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 1.78 0.48 2.91 3.38 0.00 -1.26 -5.16 105.19 107.32 1xqq n GLY 10 Ca -0.25 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.06 -0.43 1.61 2.20 -1.26 -4.92 119.74 117.00 1xqq s LYS 11 Ca 0.00 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.68 1xqq s LYS 11 Cb 0.00 -0.02 0.11 0.00 -1.51 0.00 0.00 37.83 36.40 1xqq s LYS 11 CO 0.00 -0.05 0.27 0.99 -0.36 0.00 0.00 175.35 176.20 1xqq s THR 12 N 0.30 3.83 0.44 3.43 2.01 -1.26 -1.32 115.64 123.07 1xqq s THR 12 Ca -0.02 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.04 1xqq s THR 12 Cb -0.03 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1xqq s THR 12 CO -0.01 -0.67 0.86 0.27 -0.69 0.00 0.00 174.62 174.37 1xqq s ILE 13 N 1.29 4.66 -0.02 1.82 -4.36 -0.93 -4.95 121.20 118.71 1xqq s ILE 13 Ca 0.06 0.93 0.08 0.00 -0.26 0.00 0.00 60.65 61.46 1xqq s ILE 13 Cb -0.24 -3.71 -0.02 0.00 1.25 0.00 0.00 42.46 39.74 1xqq s ILE 13 CO -0.02 -0.54 -0.26 -0.89 0.24 0.00 0.00 174.94 173.47 1xqq s THR 14 N -2.42 2.05 0.06 8.37 2.01 -1.26 -0.97 115.64 123.48 1xqq s THR 14 Ca 0.55 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1xqq s THR 14 Cb -0.10 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1xqq s THR 14 CO 0.29 0.58 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.95 1xqq s LEU 15 N -0.60 2.32 -0.30 4.42 1.43 0.10 -4.97 118.68 121.09 1xqq s LEU 15 Ca 0.10 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1xqq s LEU 15 Cb -0.10 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1xqq s LEU 15 CO -0.01 -0.23 0.17 -1.61 0.23 0.00 0.00 176.35 174.90 1xqq s GLU 16 N -2.10 3.60 0.32 1.70 2.02 -1.26 -1.73 118.70 121.25 1xqq s GLU 16 Ca -0.03 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1xqq s GLU 16 Cb -0.07 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 1xqq s GLU 16 CO -0.00 -0.32 0.10 0.14 0.02 0.00 0.00 175.26 175.21 1xqq s VAL 17 N 1.68 0.74 0.19 2.63 -7.23 0.15 -4.88 120.40 113.68 1xqq s VAL 17 Ca 0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1xqq s VAL 17 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1xqq s VAL 17 CO 0.08 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.15 1xqq s GLU 18 N -3.89 2.31 0.11 4.82 2.56 -1.26 0.89 118.70 124.24 1xqq s GLU 18 Ca 0.34 -1.20 0.20 0.00 0.00 0.00 0.00 54.97 54.31 1xqq s GLU 18 Cb 0.07 -2.28 0.81 0.00 2.00 0.00 0.00 34.13 34.73 1xqq s GLU 18 CO 0.15 0.43 1.61 -2.30 -0.56 0.00 0.00 175.26 174.59 1xqq n PRO 19 N -0.24 0.09 0.00 4.30 -0.02 -1.26 -1.86 135.00 136.01 1xqq n PRO 19 Ca -0.09 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1xqq n PRO 19 Cb 0.56 -1.66 0.37 0.00 -0.02 0.00 0.00 33.50 32.75 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xqq n SER 20 N -1.83 1.63 -4.77 2.55 3.41 -1.26 -1.69 113.62 111.66 1xqq n SER 20 Ca 0.03 -1.40 -0.38 0.00 -0.26 0.00 0.00 58.87 56.86 1xqq n SER 20 Cb 0.22 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.19 6.71 0.67 4.04 1.01 -0.78 -4.79 116.67 121.35 1xqq s ASP 21 Ca 0.31 2.30 -0.05 0.00 0.71 0.00 0.00 52.55 55.81 1xqq s ASP 21 Cb 0.20 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.57 1xqq s ASP 21 CO 0.40 -0.54 0.97 0.42 0.21 0.00 0.00 175.17 176.63 1xqq s THR 22 N -1.40 2.47 0.19 -1.27 -4.23 -1.26 -1.90 115.64 108.25 1xqq s THR 22 Ca 0.55 -0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1xqq s THR 22 Cb -0.30 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 1xqq s THR 22 CO 0.38 -0.05 1.54 0.40 -0.54 0.00 0.00 174.62 176.35 1xqq h ILE 23 N -0.47 1.29 -0.24 2.99 5.03 -1.48 -0.66 117.51 123.98 1xqq h ILE 23 Ca -0.44 -1.58 0.05 0.00 -0.12 0.00 0.00 64.86 62.77 1xqq h ILE 23 Cb 1.31 1.50 -0.05 0.00 -3.03 0.00 0.00 36.82 36.55 1xqq h ILE 23 CO 0.59 0.51 -0.10 -0.08 -0.68 0.00 0.00 178.15 178.39 1xqq h GLU 24 N 0.58 -0.06 -0.39 2.37 4.57 -1.80 -1.83 114.58 118.02 1xqq h GLU 24 Ca 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1xqq h GLU 24 Cb 0.95 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1xqq h GLU 24 CO 0.09 -0.04 0.19 -0.97 -1.18 0.00 0.00 179.01 177.10 1xqq h ASN 25 N -0.07 0.47 0.03 1.04 -0.73 -1.84 -2.94 115.58 111.54 1xqq h ASN 25 Ca 0.12 -0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.29 1xqq h ASN 25 Cb 0.25 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 1xqq h ASN 25 CO -0.28 0.40 -0.28 0.58 -0.37 0.00 0.00 177.43 177.48 1xqq h VAL 26 N 0.53 0.38 -0.28 2.57 2.07 -0.63 -2.61 116.25 118.28 1xqq h VAL 26 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1xqq h VAL 26 Cb 0.04 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1xqq h VAL 26 CO -0.02 0.00 0.40 0.11 0.02 0.00 0.00 177.57 178.08 1xqq h LYS 27 N -0.44 0.00 -0.01 1.57 1.57 -1.18 -2.67 116.57 115.42 1xqq h LYS 27 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.58 1xqq h LYS 27 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 1xqq h LYS 27 CO -0.22 0.00 -1.00 0.00 -0.57 0.00 0.00 179.45 177.66 1xqq h ALA 28 N 1.47 0.21 -0.15 3.86 0.00 -1.31 -0.29 119.26 123.05 1xqq h ALA 28 Ca 0.14 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1xqq h ALA 28 Cb 0.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xqq h ALA 28 CO -0.00 0.72 -0.36 0.87 0.00 0.00 0.00 179.25 180.48 1xqq h LYS 29 N 0.36 0.31 -0.02 0.00 1.79 -1.23 -0.02 116.57 117.76 1xqq h LYS 29 Ca -0.11 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 1xqq h LYS 29 Cb 1.64 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1xqq h LYS 29 CO 0.19 0.63 -0.26 0.82 -1.08 0.00 0.00 179.45 179.75 1xqq h ILE 30 N 0.27 1.51 -0.75 1.86 2.04 -1.54 -2.86 117.51 118.04 1xqq h ILE 30 Ca 0.03 -1.87 0.16 0.00 1.00 0.00 0.00 64.86 64.19 1xqq h ILE 30 Cb 0.76 2.65 -0.13 0.00 -0.74 0.00 0.00 36.82 39.35 1xqq h ILE 30 CO 0.06 0.52 -0.06 -0.61 0.00 0.00 0.00 178.15 178.06 1xqq h GLN 31 N -0.42 0.06 -0.07 2.37 4.15 -0.97 -1.60 115.11 118.62 1xqq h GLN 31 Ca -0.03 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1xqq h GLN 31 Cb 0.98 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1xqq h GLN 31 CO 0.05 0.04 -0.07 0.22 -1.93 0.00 0.00 178.83 177.14 1xqq h ASP 32 N 0.07 0.19 0.12 -0.69 3.58 -0.99 -2.70 116.42 116.00 1xqq h ASP 32 Ca 0.39 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1xqq h ASP 32 Cb 0.67 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1xqq h ASP 32 CO -0.69 0.63 -0.06 0.50 -2.88 0.00 0.00 179.24 176.74 1xqq h LYS 33 N -0.24 -0.15 0.09 0.28 3.64 -1.42 -3.41 116.57 115.35 1xqq h LYS 33 Ca 0.01 0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 59.05 1xqq h LYS 33 Cb 0.57 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1xqq h LYS 33 CO 0.02 0.33 -1.98 0.39 -2.27 0.00 0.00 179.45 175.94 1xqq n GLU 34 N -4.90 0.72 0.00 1.90 -0.58 -0.61 -5.04 120.64 112.13 1xqq n GLU 34 Ca -0.08 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1xqq n GLU 34 Cb 0.28 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.93 0.98 3.49 0.62 0.00 -1.02 -5.06 105.19 106.14 1xqq n GLY 35 Ca -0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1xqq n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xqq s ILE 36 N -1.91 3.18 0.62 -0.61 2.07 -1.25 -5.03 121.20 118.26 1xqq s ILE 36 Ca 0.00 -0.68 -0.17 0.00 -1.41 0.00 0.00 60.65 58.39 1xqq s ILE 36 Cb 0.00 -2.25 -0.02 0.00 0.13 0.00 0.00 42.46 40.32 1xqq s ILE 36 CO 0.00 0.59 1.13 -2.84 -1.91 0.00 0.00 174.94 171.91 1xqq s PRO 37 N -0.73 2.92 0.63 3.50 0.02 -1.26 -4.07 135.00 136.01 1xqq s PRO 37 Ca 0.11 1.52 0.37 0.00 0.02 0.00 0.00 61.00 63.02 1xqq s PRO 37 Cb -0.11 -1.96 2.12 0.00 0.02 0.00 0.00 34.50 34.57 1xqq s PRO 37 CO 0.01 -1.18 2.31 -1.35 -0.33 0.00 0.00 177.00 176.47 1xqq h PRO 38 N 0.42 0.00 0.00 5.54 0.11 -1.97 -2.77 132.00 133.34 1xqq h PRO 38 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1xqq h PRO 38 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.55 0.00 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.49 1xqq h ASP 39 N 0.00 0.00 1.04 -2.05 3.32 -1.98 -3.03 116.42 113.72 1xqq h ASP 39 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1xqq h ASP 39 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1xqq h ASP 39 CO 0.00 0.41 -1.02 1.56 -1.72 0.00 0.00 179.24 178.47 1xqq h GLN 40 N 0.00 0.00 -6.23 3.56 4.20 -1.82 -3.42 115.11 111.39 1xqq h GLN 40 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1xqq h GLN 40 Cb 1.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 1xqq h GLN 40 CO 0.05 0.35 0.95 -0.65 -0.67 0.00 0.00 178.83 178.86 1xqq s GLN 41 N -2.97 4.09 -0.34 1.46 -0.21 -1.15 -0.34 119.66 120.20 1xqq s GLN 41 Ca -0.00 1.52 -0.07 0.00 0.02 0.00 0.00 55.36 56.83 1xqq s GLN 41 Cb 0.08 -3.83 0.03 0.00 1.00 0.00 0.00 33.01 30.30 1xqq s GLN 41 CO 0.78 -0.89 0.12 0.50 -2.12 0.00 0.00 175.29 173.67 1xqq s ARG 42 N 3.82 2.71 -0.02 2.91 3.52 0.61 -4.69 118.95 127.81 1xqq s ARG 42 Ca 0.57 -1.13 -0.18 0.00 -0.13 0.00 0.00 55.73 54.86 1xqq s ARG 42 Cb -0.20 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 1xqq s ARG 42 CO 0.19 -0.64 0.52 -0.51 -0.81 0.00 0.00 175.30 174.04 1xqq s LEU 43 N 1.44 4.41 -0.04 -0.88 1.43 -1.26 -0.39 118.68 123.39 1xqq s LEU 43 Ca -0.01 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1xqq s LEU 43 Cb -0.19 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1xqq s LEU 43 CO 0.03 0.15 -0.24 -0.63 0.23 0.00 0.00 176.35 175.90 1xqq s ILE 44 N -0.32 1.94 -0.11 -0.59 -1.09 0.56 -1.59 121.20 120.00 1xqq s ILE 44 Ca 0.28 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.70 1xqq s ILE 44 Cb -0.17 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 1xqq s ILE 44 CO 0.15 0.54 -0.19 0.12 -1.23 0.00 0.00 174.94 174.34 1xqq s PHE 45 N -0.30 2.68 0.00 3.97 5.36 0.16 -0.28 117.98 129.57 1xqq s PHE 45 Ca 0.01 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1xqq s PHE 45 Cb -0.12 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 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 3.52 0.00 -0.79 11.12 0.00 -1.26 0.20 120.51 133.30 1xqq n ALA 46 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 2.67 3.76 0.00 0.00 -1.26 -5.07 105.19 105.29 1xqq n GLY 47 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.47 3.34 -0.36 1.61 1.02 0.13 -5.07 119.74 118.94 1xqq s LYS 48 Ca 0.12 -0.28 -0.20 0.00 0.02 0.00 0.00 55.97 55.63 1xqq s LYS 48 Cb 0.11 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1xqq s LYS 48 CO 0.01 0.67 0.62 -1.14 -0.92 0.00 0.00 175.35 174.59 1xqq s GLN 49 N -0.74 3.63 0.04 1.68 0.74 -1.26 -0.67 119.66 123.08 1xqq s GLN 49 Ca 0.12 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 1xqq s GLN 49 Cb -0.12 -3.82 -0.05 0.00 1.10 0.00 0.00 33.01 30.12 1xqq s GLN 49 CO 0.03 -0.76 1.17 -0.51 -0.55 0.00 0.00 175.29 174.67 1xqq s LEU 50 N 2.68 4.36 0.37 3.68 1.43 -0.62 -5.02 118.68 125.57 1xqq s LEU 50 Ca 0.24 1.95 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 1xqq s LEU 50 Cb -0.15 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1xqq s LEU 50 CO 0.15 -0.46 1.14 -0.70 0.23 0.00 0.00 176.35 176.72 1xqq s GLU 51 N 1.18 4.21 0.12 1.70 2.12 -1.26 -4.77 118.70 122.00 1xqq s GLU 51 Ca 0.58 1.80 -0.26 0.00 0.36 0.00 0.00 54.97 57.45 1xqq s GLU 51 Cb -0.28 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1xqq s GLU 51 CO 0.28 -0.18 1.63 -0.44 -0.54 0.00 0.00 175.26 176.02 1xqq h ASP 52 N 2.89 -0.82 -0.60 -1.70 3.32 -1.96 -2.93 116.42 114.63 1xqq h ASP 52 Ca -0.48 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1xqq h ASP 52 Cb 1.23 0.33 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1xqq h ASP 52 CO 0.63 -0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 1xqq n GLY 53 N -1.39 2.93 3.97 2.75 0.00 -1.26 -2.78 105.19 109.41 1xqq n GLY 53 Ca -0.05 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.56 2.63 0.35 1.61 0.52 -1.11 -4.94 118.95 115.46 1xqq s ARG 54 Ca 0.54 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 55.12 1xqq s ARG 54 Cb 0.40 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 1xqq s ARG 54 CO 0.18 -0.65 0.46 0.95 0.02 0.00 0.00 175.30 176.27 1xqq s THR 55 N -2.74 3.83 0.17 0.02 -4.23 -1.26 -1.98 115.64 109.44 1xqq s THR 55 Ca 0.56 -1.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1xqq s THR 55 Cb -0.10 -3.32 0.18 0.00 1.34 0.00 0.00 72.50 70.60 1xqq s THR 55 CO 0.39 -0.13 1.78 -0.07 -0.54 0.00 0.00 174.62 176.04 1xqq h LEU 56 N 0.90 0.00 -0.92 4.79 3.38 -1.24 -2.46 115.31 119.76 1xqq h LEU 56 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 1xqq h LEU 56 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1xqq h LEU 56 CO 0.52 0.31 -0.49 -1.28 0.09 0.00 0.00 178.44 177.59 1xqq h SER 57 N 0.00 0.12 0.07 -0.43 0.87 -1.56 -0.25 113.55 112.37 1xqq h SER 57 Ca -0.00 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1xqq h SER 57 Cb 0.82 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1xqq h SER 57 CO 0.04 0.59 -0.32 0.44 -0.53 0.00 0.00 176.83 177.06 1xqq h ASP 58 N 0.09 0.37 -0.39 6.23 3.32 -1.73 -1.67 116.42 122.63 1xqq h ASP 58 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1xqq h ASP 58 Cb 0.91 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1xqq h ASP 58 CO 0.07 0.67 0.00 -1.22 -1.72 0.00 0.00 179.24 177.04 1xqq n TYR 59 N -4.09 0.77 -2.20 4.55 4.01 -1.10 -4.96 117.16 114.15 1xqq n TYR 59 Ca -0.01 -0.32 -0.19 0.00 -0.16 0.00 0.00 57.90 57.22 1xqq n TYR 59 Cb 0.43 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 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 0.60 -5.27 -4.67 7.72 4.13 -0.63 -4.93 115.26 112.21 1xqq n ASN 60 Ca 0.15 0.14 -0.42 0.00 1.68 0.00 0.00 54.58 56.13 1xqq n ASN 60 Cb 0.50 -4.48 -0.03 0.00 -1.54 0.00 0.00 39.78 34.23 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 -2.84 4.77 0.55 2.41 1.01 -0.14 -4.96 121.20 121.99 1xqq s ILE 61 Ca 0.00 1.89 0.05 0.00 0.00 0.00 0.00 60.65 62.59 1xqq s ILE 61 Cb 0.00 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.26 1xqq s ILE 61 CO 0.00 -0.08 0.41 -1.10 0.00 0.00 0.00 174.94 174.17 1xqq s GLN 62 N 2.66 2.25 0.43 2.79 -0.21 -1.26 -4.52 119.66 121.79 1xqq s GLN 62 Ca 0.43 -2.04 -0.23 0.00 0.02 0.00 0.00 55.36 53.53 1xqq s GLN 62 Cb -0.16 -2.09 -0.11 0.00 1.00 0.00 0.00 33.01 31.65 1xqq s GLN 62 CO 0.10 -0.64 0.71 0.36 -2.12 0.00 0.00 175.29 173.70 1xqq n LYS 63 N -1.78 0.82 -2.31 2.91 2.85 -1.26 -3.64 118.16 115.75 1xqq n LYS 63 Ca -0.02 0.30 -0.13 0.00 -1.05 0.00 0.00 58.31 57.41 1xqq n LYS 63 Cb 0.64 -1.70 -0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 0.35 -1.28 -4.42 -1.58 1.02 0.82 -4.97 120.64 110.58 1xqq n GLU 64 Ca 0.11 0.62 -0.34 0.00 -0.02 0.00 0.00 57.16 57.54 1xqq n GLU 64 Cb 0.40 -4.84 -0.10 0.00 -0.02 0.00 0.00 31.44 26.88 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 -2.46 5.02 -0.53 1.62 0.01 -1.24 -4.86 113.70 111.26 1xqq s SER 65 Ca 0.02 0.05 -0.22 0.00 1.31 0.00 0.00 55.95 57.11 1xqq s SER 65 Cb -0.01 -1.34 0.05 0.00 0.21 0.00 0.00 66.02 64.93 1xqq s SER 65 CO 0.03 0.34 0.83 -0.89 0.41 0.00 0.00 173.24 173.96 1xqq s THR 66 N -0.93 4.57 0.42 1.44 2.01 -1.26 -1.11 115.64 120.78 1xqq s THR 66 Ca 0.15 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 1xqq s THR 66 Cb -0.11 -4.45 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 1xqq s THR 66 CO 0.04 -0.99 0.98 -0.76 -0.69 0.00 0.00 174.62 173.21 1xqq s LEU 67 N 3.47 4.02 -0.09 4.42 1.02 -0.04 -4.63 118.68 126.84 1xqq s LEU 67 Ca 0.25 1.82 0.02 0.00 0.02 0.00 0.00 54.13 56.25 1xqq s LEU 67 Cb -0.15 -4.40 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 1xqq s LEU 67 CO 0.17 -0.43 -0.16 -1.00 0.02 0.00 0.00 176.35 174.95 1xqq s HIS 68 N -1.96 2.70 -0.28 0.29 3.76 0.62 -1.15 115.29 119.28 1xqq s HIS 68 Ca 0.61 -0.49 -0.08 0.00 -0.15 0.00 0.00 55.06 54.94 1xqq s HIS 68 Cb -0.14 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1xqq s HIS 68 CO 0.19 -0.07 0.09 -1.17 -0.85 0.00 0.00 174.74 172.92 1xqq s LEU 69 N -0.13 3.74 0.00 0.89 2.96 0.76 -0.32 118.68 126.58 1xqq s LEU 69 Ca -0.02 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1xqq s LEU 69 Cb -0.14 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 1xqq s LEU 69 CO 0.04 -0.13 0.03 1.33 -1.32 0.00 0.00 176.35 176.30 1xqq n VAL 70 N 4.91 0.00 -3.89 1.68 0.24 0.48 -2.62 118.33 119.13 1xqq n VAL 70 Ca -0.15 -0.79 -0.37 0.00 -2.04 0.00 0.00 64.34 61.00 1xqq n VAL 70 Cb 0.50 0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.04 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xqq s LEU 71 N 0.00 4.30 -0.00 1.34 1.43 -1.26 -0.28 118.68 124.20 1xqq s LEU 71 Ca 0.05 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 1xqq s LEU 71 Cb 0.00 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1xqq s LEU 71 CO 0.03 0.37 0.60 -0.60 0.23 0.00 0.00 176.35 176.98 1xqq s ARG 72 N -0.78 4.32 0.34 1.70 3.52 0.54 -4.68 118.95 123.91 1xqq s ARG 72 Ca 0.14 0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 56.42 1xqq s ARG 72 Cb -0.12 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1xqq s ARG 72 CO 0.03 0.37 0.63 -0.51 -0.81 0.00 0.00 175.30 175.01 1xqq s LEU 73 N -0.21 3.96 0.33 -0.88 1.43 -1.26 -4.87 118.68 117.19 1xqq s LEU 73 Ca 0.31 0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 53.97 1xqq s LEU 73 Cb -0.18 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 1xqq s LEU 73 CO 0.17 -0.28 1.01 -0.60 0.23 0.00 0.00 176.35 176.88 1xqq s ARG 74 N -3.77 4.48 0.00 1.70 3.52 -1.26 -4.39 118.95 119.23 1xqq s ARG 74 Ca 0.46 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1xqq s ARG 74 Cb -0.10 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1xqq s ARG 74 CO 0.32 0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 1xqq n GLY 75 N 0.72 2.06 0.79 8.12 0.00 -1.26 -5.33 105.19 110.29 1xqq n GLY 75 Ca 0.02 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93