#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 2.38 0.34 3.17 -0.21 -1.26 0.21 119.66 124.29 1xqq s GLN 2 Ca 0.00 -0.80 0.09 0.00 0.02 0.00 0.00 55.36 54.67 1xqq s GLN 2 Cb 0.00 -2.36 -0.06 0.00 1.00 0.00 0.00 33.01 31.59 1xqq s GLN 2 CO 0.00 0.59 -0.08 0.96 -2.12 0.00 0.00 175.29 174.64 1xqq s ILE 3 N -0.90 2.31 -0.26 1.08 -4.36 -0.01 -1.52 121.20 117.54 1xqq s ILE 3 Ca 0.15 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.25 1xqq s ILE 3 Cb -0.11 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1xqq s ILE 3 CO 0.05 -0.20 0.23 -0.36 0.24 0.00 0.00 174.94 174.89 1xqq s PHE 4 N -2.59 3.27 -0.32 1.37 0.08 -0.03 -1.70 117.98 118.06 1xqq s PHE 4 Ca 0.33 0.25 -0.08 0.00 0.12 0.00 0.00 56.93 57.55 1xqq s PHE 4 Cb 0.02 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.10 1xqq s PHE 4 CO 0.17 -0.07 0.13 0.08 -0.10 0.00 0.00 175.22 175.43 1xqq s VAL 5 N 1.50 4.22 0.05 -0.44 1.01 -0.34 -0.47 120.40 125.92 1xqq s VAL 5 Ca 0.09 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1xqq s VAL 5 Cb -0.15 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1xqq s VAL 5 CO 0.08 -0.02 0.77 -0.75 0.00 0.00 0.00 175.10 175.18 1xqq s LYS 6 N 1.53 4.50 0.80 2.72 2.20 0.63 -0.72 119.74 131.40 1xqq s LYS 6 Ca 0.02 1.08 -0.04 0.00 -0.36 0.00 0.00 55.97 56.67 1xqq s LYS 6 Cb -0.18 -3.36 0.16 0.00 -1.51 0.00 0.00 37.83 32.94 1xqq s LYS 6 CO 0.04 0.28 1.10 0.95 -0.36 0.00 0.00 175.35 177.37 1xqq s THR 7 N -0.06 2.01 0.04 3.43 -4.23 -0.33 0.24 115.64 116.75 1xqq s THR 7 Ca 0.39 -0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 60.23 1xqq s THR 7 Cb -0.21 -2.54 -0.16 0.00 1.34 0.00 0.00 72.50 70.94 1xqq s THR 7 CO 0.23 0.00 1.28 0.25 -0.54 0.00 0.00 174.62 175.84 1xqq h LEU 8 N -0.87 0.54 0.00 4.79 6.46 -1.87 -3.43 115.31 120.93 1xqq h LEU 8 Ca -0.37 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 1xqq h LEU 8 Cb 1.25 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1xqq h LEU 8 CO 0.36 1.01 0.00 0.35 -0.62 0.00 0.00 178.44 179.54 1xqq n THR 9 N -4.36 0.00 -2.68 1.05 -2.24 -1.26 -4.96 114.28 99.83 1xqq n THR 9 Ca -0.07 0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1xqq n THR 9 Cb 0.50 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.42 0.20 2.84 3.38 0.00 -1.26 -5.11 105.19 107.66 1xqq n GLY 10 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.11 -0.01 -0.32 1.61 2.20 -1.26 -5.05 119.74 117.02 1xqq s LYS 11 Ca 0.12 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1xqq s LYS 11 Cb 0.22 -0.07 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 1xqq s LYS 11 CO -0.05 -0.05 0.01 0.99 -0.36 0.00 0.00 175.35 175.89 1xqq s THR 12 N 0.31 2.29 -0.21 3.43 2.01 -1.26 -1.19 115.64 121.01 1xqq s THR 12 Ca -0.03 -2.11 -0.29 0.00 0.31 0.00 0.00 61.69 59.57 1xqq s THR 12 Cb -0.04 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.89 1xqq s THR 12 CO -0.01 -0.42 1.06 -0.63 -0.69 0.00 0.00 174.62 173.93 1xqq s ILE 13 N 0.97 4.65 -0.64 1.82 1.01 0.10 -4.87 121.20 124.24 1xqq s ILE 13 Ca 0.05 1.99 -0.10 0.00 0.00 0.00 0.00 60.65 62.59 1xqq s ILE 13 Cb -0.19 -4.28 0.17 0.00 0.01 0.00 0.00 42.46 38.16 1xqq s ILE 13 CO -0.07 -0.16 0.54 0.42 0.00 0.00 0.00 174.94 175.67 1xqq s THR 14 N 3.13 4.69 -0.28 2.92 -4.23 -1.26 -1.20 115.64 119.41 1xqq s THR 14 Ca 0.45 -2.30 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1xqq s THR 14 Cb -0.16 -3.99 -0.00 0.00 1.34 0.00 0.00 72.50 69.69 1xqq s THR 14 CO 0.08 -0.90 0.08 -0.22 -0.54 0.00 0.00 174.62 173.11 1xqq s LEU 15 N 0.60 3.75 -0.16 4.79 2.96 -0.69 -4.90 118.68 125.03 1xqq s LEU 15 Ca 0.13 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.17 1xqq s LEU 15 Cb -0.19 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1xqq s LEU 15 CO -0.04 -0.15 1.36 -1.83 -1.32 0.00 0.00 176.35 174.37 1xqq s GLU 16 N 1.53 4.17 0.38 1.98 -1.05 -1.26 -0.83 118.70 123.63 1xqq s GLU 16 Ca 0.04 1.73 0.05 0.00 -0.15 0.00 0.00 54.97 56.63 1xqq s GLU 16 Cb -0.17 -3.83 -0.03 0.00 -0.44 0.00 0.00 34.13 29.67 1xqq s GLU 16 CO 0.03 -0.80 0.18 0.14 0.95 0.00 0.00 175.26 175.76 1xqq s VAL 17 N 3.77 0.35 0.25 1.83 -7.23 0.13 -4.97 120.40 114.53 1xqq s VAL 17 Ca 0.59 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.87 1xqq s VAL 17 Cb -0.24 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1xqq s VAL 17 CO 0.19 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.23 1xqq s GLU 18 N -3.62 1.89 0.00 4.82 2.02 -1.26 -1.79 118.70 120.76 1xqq s GLU 18 Ca 0.30 -1.56 0.15 0.00 0.02 0.00 0.00 54.97 53.88 1xqq s GLU 18 Cb 0.02 -1.95 0.83 0.00 0.10 0.00 0.00 34.13 33.13 1xqq s GLU 18 CO 0.19 0.37 1.40 -0.35 0.02 0.00 0.00 175.26 176.89 1xqq n PRO 19 N -0.47 0.31 0.00 0.39 -0.04 -1.26 -2.44 135.00 131.49 1xqq n PRO 19 Ca -0.07 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 1xqq n PRO 19 Cb 0.58 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.02 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.19 1.57 -4.79 3.54 3.41 -1.26 -2.42 113.62 112.47 1xqq n SER 20 Ca 0.09 -1.48 -0.35 0.00 -0.26 0.00 0.00 58.87 56.87 1xqq n SER 20 Cb 0.10 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.05 6.90 0.24 4.04 1.11 -1.02 -4.86 116.67 121.02 1xqq s ASP 21 Ca 0.36 1.88 0.00 0.00 0.18 0.00 0.00 52.55 54.97 1xqq s ASP 21 Cb 0.21 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1xqq s ASP 21 CO 0.35 -0.39 0.00 0.35 1.18 0.00 0.00 175.17 176.66 1xqq n THR 22 N -0.18 0.00 0.07 -1.27 -2.24 -1.26 -1.87 114.28 107.53 1xqq n THR 22 Ca 0.05 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1xqq n THR 22 Cb 0.51 -1.40 -0.15 0.00 -2.10 0.00 0.00 70.33 67.20 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N -0.24 0.93 -0.44 2.28 1.08 -1.49 -2.91 117.51 116.74 1xqq h ILE 23 Ca 0.00 -2.54 0.05 0.00 -0.39 0.00 0.00 64.86 61.98 1xqq h ILE 23 Cb 0.00 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 1xqq h ILE 23 CO 0.00 0.85 0.29 -0.33 -0.69 0.00 0.00 178.15 178.27 1xqq h GLU 24 N 0.10 0.40 0.58 2.37 5.08 -1.70 -1.53 114.58 119.88 1xqq h GLU 24 Ca -0.34 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1xqq h GLU 24 Cb 2.08 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.25 1xqq h GLU 24 CO 0.17 0.26 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.25 1xqq h ASN 25 N 0.41 -0.65 -0.53 1.42 -0.26 -1.85 -2.21 115.58 111.91 1xqq h ASN 25 Ca 0.18 -0.03 0.09 0.00 -0.56 0.00 0.00 56.30 55.99 1xqq h ASN 25 Cb 0.22 0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 37.57 1xqq h ASN 25 CO -0.04 -0.37 0.11 0.58 -1.06 0.00 0.00 177.43 176.65 1xqq h VAL 26 N -0.92 0.71 -0.97 2.81 2.07 -1.42 0.14 116.25 118.66 1xqq h VAL 26 Ca -0.08 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1xqq h VAL 26 Cb 0.64 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1xqq h VAL 26 CO 0.13 0.05 0.62 0.11 0.02 0.00 0.00 177.57 178.49 1xqq h LYS 27 N 0.25 0.89 -0.11 1.57 1.57 -1.30 -0.36 116.57 119.09 1xqq h LYS 27 Ca 0.27 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1xqq h LYS 27 Cb 0.37 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1xqq h LYS 27 CO -0.34 0.59 -0.48 0.00 -0.57 0.00 0.00 179.45 178.64 1xqq h ALA 28 N 1.56 0.98 0.00 3.86 0.00 -0.15 -2.67 119.26 122.84 1xqq h ALA 28 Ca 0.48 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xqq h ALA 28 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xqq h ALA 28 CO -0.25 0.65 -0.46 0.87 0.00 0.00 0.00 179.25 180.06 1xqq h LYS 29 N 0.22 0.00 0.00 0.00 1.57 -0.29 -2.47 116.57 115.60 1xqq h LYS 29 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 29 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1xqq h LYS 29 CO 0.08 0.34 -0.41 0.82 -0.57 0.00 0.00 179.45 179.70 1xqq h ILE 30 N 0.00 0.87 -0.00 1.86 2.04 -1.04 -2.71 117.51 118.53 1xqq h ILE 30 Ca -0.01 -1.72 -0.16 0.00 1.00 0.00 0.00 64.86 63.96 1xqq h ILE 30 Cb 1.29 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 1xqq h ILE 30 CO 0.04 0.40 -0.78 -0.61 0.00 0.00 0.00 178.15 177.21 1xqq h GLN 31 N 0.00 0.01 0.49 2.37 4.15 -1.22 0.25 115.11 121.16 1xqq h GLN 31 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1xqq h GLN 31 Cb 1.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1xqq h GLN 31 CO 0.05 0.79 -0.24 0.22 -1.93 0.00 0.00 178.83 177.72 1xqq h ASP 32 N 0.01 -0.56 0.17 -0.69 3.58 -1.38 -2.88 116.42 114.65 1xqq h ASP 32 Ca -0.01 -0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.16 1xqq h ASP 32 Cb 1.38 0.15 0.03 0.00 1.72 0.00 0.00 39.33 42.60 1xqq h ASP 32 CO 0.10 -0.27 -0.99 0.50 -2.88 0.00 0.00 179.24 175.71 1xqq h LYS 33 N -0.85 0.37 0.00 0.28 1.63 -1.14 -3.38 116.57 113.48 1xqq h LYS 33 Ca -0.07 -0.62 -0.33 0.00 -0.85 0.00 0.00 60.65 58.78 1xqq h LYS 33 Cb 0.58 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.39 1xqq h LYS 33 CO 0.11 1.30 -2.18 0.39 -3.45 0.00 0.00 179.45 175.61 1xqq n GLU 34 N -4.02 0.49 -0.20 1.90 -0.58 0.84 -5.04 120.64 114.03 1xqq n GLU 34 Ca -0.15 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1xqq n GLU 34 Cb 0.89 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 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 2.17 1.17 3.77 0.62 0.00 -1.09 -5.01 105.19 106.82 1xqq n GLY 35 Ca -0.39 -0.06 -0.36 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 -2.07 5.20 0.30 -0.61 1.01 -1.26 -4.98 121.20 118.80 1xqq s ILE 36 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 1xqq s ILE 36 Cb 0.00 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 1xqq s ILE 36 CO 0.00 0.55 1.39 -2.84 0.00 0.00 0.00 174.94 174.03 1xqq s PRO 37 N -0.42 4.28 0.55 2.79 0.02 -1.26 -4.10 135.00 136.86 1xqq s PRO 37 Ca 0.11 2.30 0.35 0.00 0.02 0.00 0.00 61.00 63.78 1xqq s PRO 37 Cb -0.12 -3.07 1.53 0.00 0.02 0.00 0.00 34.50 32.86 1xqq s PRO 37 CO 0.02 -0.33 2.03 -1.00 -0.33 0.00 0.00 177.00 177.38 1xqq h PRO 38 N 4.01 0.00 0.00 5.54 0.13 -1.91 -1.21 132.00 138.56 1xqq h PRO 38 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1xqq h PRO 38 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.70 0.00 -1.33 0.38 -0.23 0.00 0.00 178.00 177.52 1xqq h ASP 39 N 0.00 0.00 -0.48 1.44 2.03 -1.96 -3.25 116.42 114.20 1xqq h ASP 39 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1xqq h ASP 39 Cb 0.41 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1xqq h ASP 39 CO 0.00 0.73 -0.19 -0.61 -1.03 0.00 0.00 179.24 178.13 1xqq h GLN 40 N 0.00 0.98 -6.65 4.15 4.15 -1.90 -3.43 115.11 112.40 1xqq h GLN 40 Ca -0.16 -0.41 -0.52 0.00 0.77 0.00 0.00 58.65 58.33 1xqq h GLN 40 Cb 1.70 -0.04 0.06 0.00 0.21 0.00 0.00 27.48 29.41 1xqq h GLN 40 CO 0.07 1.08 1.02 1.04 -1.93 0.00 0.00 178.83 180.11 1xqq n GLN 41 N -4.14 2.79 -4.41 1.69 6.02 -0.48 -3.75 117.38 115.10 1xqq n GLN 41 Ca -0.00 1.01 -0.23 0.00 -0.01 0.00 0.00 57.00 57.76 1xqq n GLN 41 Cb 0.44 -2.86 -0.17 0.00 1.02 0.00 0.00 30.24 28.68 1xqq n GLN 41 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1xqq s ARG 42 N 1.26 1.43 -0.14 -1.09 3.52 0.01 -4.91 118.95 119.03 1xqq s ARG 42 Ca 0.75 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1xqq s ARG 42 Cb -0.50 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1xqq s ARG 42 CO 0.32 -0.03 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.17 1xqq s LEU 43 N 0.81 2.84 -0.01 -0.88 1.43 -1.26 -0.75 118.68 120.86 1xqq s LEU 43 Ca -0.12 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1xqq s LEU 43 Cb -0.15 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1xqq s LEU 43 CO 0.02 0.15 -0.12 -0.63 0.23 0.00 0.00 176.35 175.99 1xqq s ILE 44 N 0.45 0.98 0.00 -0.59 1.01 -0.89 -0.97 121.20 121.18 1xqq s ILE 44 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1xqq s ILE 44 Cb -0.15 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1xqq s ILE 44 CO 0.04 0.27 0.00 0.33 0.00 0.00 0.00 174.94 175.58 1xqq n PHE 45 N 2.76 0.00 -0.02 3.97 7.35 -0.85 -0.61 117.46 130.05 1xqq n PHE 45 Ca -0.14 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.52 1xqq n PHE 45 Cb 0.56 -0.05 -0.01 0.00 0.35 0.00 0.00 39.48 40.33 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 -1.74 1.09 -1.20 3.13 0.00 -1.26 -4.24 120.51 116.29 1xqq n ALA 46 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1xqq n ALA 46 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 2.05 -2.20 3.54 0.00 0.00 -1.26 -5.06 105.19 102.27 1xqq n GLY 47 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.53 0.24 1.61 2.20 -1.26 -5.12 119.74 119.94 1xqq s LYS 48 Ca 0.00 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.73 1xqq s LYS 48 Cb 0.00 -2.45 -0.08 0.00 -1.51 0.00 0.00 37.83 33.78 1xqq s LYS 48 CO 0.00 0.62 0.71 -1.14 -0.36 0.00 0.00 175.35 175.17 1xqq s GLN 49 N -1.08 4.16 -0.19 4.03 0.74 -1.26 -2.01 119.66 124.05 1xqq s GLN 49 Ca 0.14 0.78 -0.11 0.00 0.05 0.00 0.00 55.36 56.22 1xqq s GLN 49 Cb -0.11 -2.78 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1xqq s GLN 49 CO 0.04 0.35 0.17 -0.51 -0.55 0.00 0.00 175.29 174.79 1xqq s LEU 50 N -2.21 4.22 0.10 3.68 2.01 -0.14 -4.94 118.68 121.39 1xqq s LEU 50 Ca 0.45 0.30 0.03 0.00 0.01 0.00 0.00 54.13 54.92 1xqq s LEU 50 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 1xqq s LEU 50 CO 0.20 0.16 0.13 -1.61 1.01 0.00 0.00 176.35 176.25 1xqq s GLU 51 N 0.37 3.05 0.18 1.70 2.02 -1.26 -4.79 118.70 119.98 1xqq s GLU 51 Ca 0.10 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.22 1xqq s GLU 51 Cb -0.12 -2.80 0.10 0.00 0.10 0.00 0.00 34.13 31.42 1xqq s GLU 51 CO -0.00 0.56 1.60 -0.44 0.02 0.00 0.00 175.26 176.99 1xqq h ASP 52 N 2.99 -1.00 -1.74 -0.19 3.32 -1.96 -3.27 116.42 114.58 1xqq h ASP 52 Ca -0.47 0.20 -0.65 0.00 0.02 0.00 0.00 57.03 56.12 1xqq h ASP 52 Cb 1.17 0.49 -0.37 0.00 0.22 0.00 0.00 39.33 40.85 1xqq h ASP 52 CO 0.68 -0.29 -0.09 0.61 -1.72 0.00 0.00 179.24 178.42 1xqq n GLY 53 N -1.42 5.83 3.33 2.75 0.00 -1.26 -1.88 105.19 112.55 1xqq n GLY 53 Ca 0.03 -2.67 -0.18 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.73 1.30 0.71 1.61 0.52 -1.23 -5.05 118.95 113.07 1xqq s ARG 54 Ca 0.49 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 54.01 1xqq s ARG 54 Cb 0.40 -1.06 0.02 0.00 0.52 0.00 0.00 34.95 34.83 1xqq s ARG 54 CO -0.26 0.17 1.09 0.95 0.02 0.00 0.00 175.30 177.27 1xqq s THR 55 N -3.02 3.52 0.38 0.02 -4.23 -1.26 -3.27 115.64 107.78 1xqq s THR 55 Ca 0.22 0.49 0.11 0.00 -1.18 0.00 0.00 61.69 61.33 1xqq s THR 55 Cb -0.00 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.51 1xqq s THR 55 CO 0.06 -0.64 1.87 -0.07 -0.54 0.00 0.00 174.62 175.29 1xqq h LEU 56 N -0.69 0.13 -1.11 4.79 3.38 -1.51 -2.04 115.31 118.26 1xqq h LEU 56 Ca -0.45 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 1xqq h LEU 56 Cb 1.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1xqq h LEU 56 CO 0.63 0.39 -0.39 -1.28 0.09 0.00 0.00 178.44 177.88 1xqq h SER 57 N 0.12 0.11 -0.04 -0.43 0.87 -1.69 0.99 113.55 113.48 1xqq h SER 57 Ca 0.02 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1xqq h SER 57 Cb 0.52 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1xqq h SER 57 CO 0.04 0.49 -0.11 0.44 -0.53 0.00 0.00 176.83 177.16 1xqq h ASP 58 N 0.09 0.18 0.80 6.23 3.32 -1.75 -3.22 116.42 122.07 1xqq h ASP 58 Ca 0.01 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1xqq h ASP 58 Cb 0.73 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1xqq h ASP 58 CO 0.05 0.74 0.00 -1.22 -1.72 0.00 0.00 179.24 177.09 1xqq n TYR 59 N -4.66 0.24 -2.80 4.55 4.01 -0.81 -4.93 117.16 112.76 1xqq n TYR 59 Ca -0.08 0.08 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 1xqq n TYR 59 Cb 0.37 -0.63 0.05 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.71 -2.25 -4.33 7.72 4.13 -0.41 -5.02 115.26 113.38 1xqq n ASN 60 Ca 0.05 -0.33 -0.41 0.00 1.68 0.00 0.00 54.58 55.57 1xqq n ASN 60 Cb 0.26 -2.99 -0.11 0.00 -1.54 0.00 0.00 39.78 35.41 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 -3.19 4.45 0.17 2.41 1.01 0.21 -5.04 121.20 121.21 1xqq s ILE 61 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1xqq s ILE 61 Cb -0.01 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1xqq s ILE 61 CO 0.39 -0.35 0.22 0.00 0.00 0.00 0.00 174.94 175.20 1xqq n GLN 62 N 4.97 0.94 -1.78 2.79 6.02 -1.26 -4.45 117.38 124.62 1xqq n GLN 62 Ca -0.11 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 55.54 1xqq n GLN 62 Cb 0.45 -0.04 -0.03 0.00 1.02 0.00 0.00 30.24 31.63 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xqq s LYS 63 N -2.75 4.15 -1.44 -1.09 2.20 -1.26 -3.04 119.74 116.51 1xqq s LYS 63 Ca 0.16 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1xqq s LYS 63 Cb -0.01 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1xqq s LYS 63 CO 0.10 -0.78 0.00 0.39 -0.36 0.00 0.00 175.35 174.71 1xqq n GLU 64 N 5.12 -1.24 -3.22 4.03 1.02 -0.58 -5.03 120.64 120.74 1xqq n GLU 64 Ca 0.17 0.84 -0.29 0.00 -0.02 0.00 0.00 57.16 57.85 1xqq n GLU 64 Cb 0.38 -5.18 -0.03 0.00 -0.02 0.00 0.00 31.44 26.58 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 -2.40 6.47 -0.21 1.62 0.01 -1.17 -4.79 113.70 113.23 1xqq s SER 65 Ca 0.00 0.83 -0.12 0.00 1.31 0.00 0.00 55.95 57.97 1xqq s SER 65 Cb 0.00 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 1xqq s SER 65 CO 0.00 -0.24 0.20 -0.89 0.41 0.00 0.00 173.24 172.72 1xqq s THR 66 N -2.14 5.34 0.06 1.44 2.01 -1.26 -0.85 115.64 120.24 1xqq s THR 66 Ca 0.46 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1xqq s THR 66 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1xqq s THR 66 CO 0.30 0.36 0.15 -0.76 -0.69 0.00 0.00 174.62 173.98 1xqq s LEU 67 N 0.84 4.11 -0.15 4.42 1.43 0.38 -4.89 118.68 124.82 1xqq s LEU 67 Ca 0.10 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 1xqq s LEU 67 Cb -0.13 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1xqq s LEU 67 CO 0.03 0.18 0.40 -1.00 0.23 0.00 0.00 176.35 176.19 1xqq s HIS 68 N -1.44 3.47 -0.20 0.29 3.76 0.21 -0.27 115.29 121.11 1xqq s HIS 68 Ca 0.32 0.74 -0.14 0.00 -0.15 0.00 0.00 55.06 55.83 1xqq s HIS 68 Cb -0.13 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 1xqq s HIS 68 CO 0.25 0.15 0.31 -1.17 -0.85 0.00 0.00 174.74 173.43 1xqq s LEU 69 N 0.71 4.16 -0.13 0.89 2.96 0.14 -2.10 118.68 125.31 1xqq s LEU 69 Ca 0.22 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1xqq s LEU 69 Cb -0.14 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.18 1xqq s LEU 69 CO 0.08 0.00 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.20 1xqq s VAL 70 N 1.05 2.11 0.50 1.68 1.01 0.07 -3.60 120.40 123.23 1xqq s VAL 70 Ca 0.15 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1xqq s VAL 70 Cb -0.14 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.46 1xqq s VAL 70 CO 0.06 0.55 0.47 0.18 0.00 0.00 0.00 175.10 176.36 1xqq n LEU 71 N 3.94 0.00 -4.60 3.92 4.77 -1.26 -0.80 117.00 122.97 1xqq n LEU 71 Ca -0.20 -2.49 -0.43 0.00 -0.03 0.00 0.00 56.01 52.86 1xqq n LEU 71 Cb 0.52 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1xqq n LEU 71 CO 0.27 -0.59 0.89 -0.60 -1.33 0.00 0.00 177.39 176.03 1xqq s ARG 72 N -4.13 3.73 -0.24 3.23 3.52 -1.25 -4.84 118.95 118.98 1xqq s ARG 72 Ca 0.36 0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 56.33 1xqq s ARG 72 Cb -0.03 -3.87 -0.10 0.00 -1.56 0.00 0.00 34.95 29.39 1xqq s ARG 72 CO 0.23 -1.20 -0.33 1.28 -0.81 0.00 0.00 175.30 174.47 1xqq n LEU 73 N 7.34 1.84 0.00 -0.88 4.77 -1.26 -4.94 117.00 123.87 1xqq n LEU 73 Ca 0.09 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1xqq n LEU 73 Cb 0.48 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1xqq n LEU 73 CO 0.66 0.36 0.00 0.54 -1.33 0.00 0.00 177.39 177.62 1xqq n ARG 74 N -4.21 0.00 0.00 3.23 3.00 -1.26 -5.15 116.66 112.27 1xqq n ARG 74 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.41 1xqq n ARG 74 Cb 0.78 -0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xqq n GLY 75 N 2.00 4.55 0.00 -0.13 0.00 -1.26 -5.30 105.19 105.06 1xqq n GLY 75 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93