#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 2.18 0.08 3.17 -2.07 -1.26 -1.31 119.66 120.45 1xqq s GLN 2 Ca 0.00 -1.49 0.03 0.00 -1.82 0.00 0.00 55.36 52.09 1xqq s GLN 2 Cb 0.00 -2.09 -0.03 0.00 -1.09 0.00 0.00 33.01 29.80 1xqq s GLN 2 CO 0.00 0.35 -0.10 0.96 -1.32 0.00 0.00 175.29 175.19 1xqq s ILE 3 N -2.36 0.85 -0.41 3.63 -4.36 -0.63 -0.39 121.20 117.53 1xqq s ILE 3 Ca 0.31 -1.52 -0.09 0.00 -0.26 0.00 0.00 60.65 59.09 1xqq s ILE 3 Cb -0.06 -1.21 0.08 0.00 1.25 0.00 0.00 42.46 42.52 1xqq s ILE 3 CO 0.19 -0.52 0.25 -0.36 0.24 0.00 0.00 174.94 174.74 1xqq s PHE 4 N -2.23 3.34 -0.48 1.37 0.08 0.12 -1.28 117.98 118.90 1xqq s PHE 4 Ca 0.02 -1.54 -0.16 0.00 0.12 0.00 0.00 56.93 55.37 1xqq s PHE 4 Cb -0.04 -2.93 0.07 0.00 -0.57 0.00 0.00 43.02 39.55 1xqq s PHE 4 CO -0.00 -0.84 0.42 0.08 -0.10 0.00 0.00 175.22 174.78 1xqq s VAL 5 N 1.42 5.19 -0.18 -0.44 1.01 0.52 -0.14 120.40 127.78 1xqq s VAL 5 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1xqq s VAL 5 Cb -0.23 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1xqq s VAL 5 CO 0.02 -0.61 0.33 -0.54 0.00 0.00 0.00 175.10 174.30 1xqq s LYS 6 N 1.76 4.22 0.87 2.72 1.02 -0.69 -0.70 119.74 128.94 1xqq s LYS 6 Ca 0.05 0.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.04 1xqq s LYS 6 Cb -0.24 -3.47 0.20 0.00 -0.52 0.00 0.00 37.83 33.80 1xqq s LYS 6 CO 0.07 0.13 1.19 0.25 -0.92 0.00 0.00 175.35 176.07 1xqq n THR 7 N 3.90 0.00 -0.03 2.17 -2.24 0.03 -0.76 114.28 117.34 1xqq n THR 7 Ca -0.11 -1.02 -0.14 0.00 -2.27 0.00 0.00 64.05 60.51 1xqq n THR 7 Cb 0.52 -1.43 -0.11 0.00 -2.10 0.00 0.00 70.33 67.21 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 0.14 -1.27 3.22 5.85 -1.81 -3.32 115.31 118.12 1xqq h LEU 8 Ca -0.39 -0.75 -0.04 0.00 0.84 0.00 0.00 57.88 57.54 1xqq h LEU 8 Cb 1.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1xqq h LEU 8 CO 0.29 0.87 -0.20 0.71 -0.34 0.00 0.00 178.44 179.77 1xqq h THR 9 N -0.58 0.55 0.00 1.05 1.35 -1.95 -3.47 112.91 109.86 1xqq h THR 9 Ca -0.02 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1xqq h THR 9 Cb 0.89 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1xqq h THR 9 CO 0.03 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1xqq n GLY 10 N -0.00 0.77 2.95 5.82 0.00 -1.25 -5.14 105.19 108.33 1xqq n GLY 10 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.12 0.09 -0.43 1.61 2.20 -1.26 -4.96 119.74 116.87 1xqq s LYS 11 Ca 0.00 0.12 -0.09 0.00 -0.36 0.00 0.00 55.97 55.64 1xqq s LYS 11 Cb 0.00 0.03 0.08 0.00 -1.51 0.00 0.00 37.83 36.43 1xqq s LYS 11 CO 0.00 -0.02 0.27 0.99 -0.36 0.00 0.00 175.35 176.23 1xqq s THR 12 N 0.11 4.25 -0.29 3.43 2.01 -1.26 -0.79 115.64 123.10 1xqq s THR 12 Ca -0.01 -1.44 -0.18 0.00 0.31 0.00 0.00 61.69 60.37 1xqq s THR 12 Cb -0.01 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 1xqq s THR 12 CO -0.00 -0.55 0.54 -0.63 -0.69 0.00 0.00 174.62 173.29 1xqq s ILE 13 N 1.42 5.03 -0.24 1.82 1.01 0.12 -4.95 121.20 125.41 1xqq s ILE 13 Ca 0.03 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.28 1xqq s ILE 13 Cb -0.23 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1xqq s ILE 13 CO 0.02 -0.03 0.35 -0.89 0.00 0.00 0.00 174.94 174.38 1xqq s THR 14 N 2.39 5.21 0.06 2.92 2.01 -1.26 -0.35 115.64 126.62 1xqq s THR 14 Ca 0.21 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1xqq s THR 14 Cb -0.15 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1xqq s THR 14 CO 0.11 0.22 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.87 1xqq s LEU 15 N 1.63 2.22 -0.24 4.42 2.96 -0.41 -4.99 118.68 124.29 1xqq s LEU 15 Ca 0.15 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 1xqq s LEU 15 Cb -0.15 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1xqq s LEU 15 CO 0.08 0.04 0.35 -1.61 -1.32 0.00 0.00 176.35 173.89 1xqq s GLU 16 N -1.47 4.08 0.30 1.98 2.02 -1.26 -1.60 118.70 122.76 1xqq s GLU 16 Ca 0.03 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.12 1xqq s GLU 16 Cb -0.09 -3.59 -0.06 0.00 0.10 0.00 0.00 34.13 30.49 1xqq s GLU 16 CO 0.02 -0.14 0.02 0.14 0.02 0.00 0.00 175.26 175.33 1xqq s VAL 17 N 1.63 1.25 0.14 2.63 -7.23 -0.43 -4.96 120.40 113.43 1xqq s VAL 17 Ca 0.15 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.15 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1xqq s VAL 17 CO 0.08 -0.13 0.08 -1.61 -0.31 0.00 0.00 175.10 173.22 1xqq s GLU 18 N -3.85 2.75 0.16 4.82 2.02 -1.26 0.31 118.70 123.64 1xqq s GLU 18 Ca 0.34 -0.89 0.21 0.00 0.02 0.00 0.00 54.97 54.65 1xqq s GLU 18 Cb 0.07 -2.59 0.85 0.00 0.10 0.00 0.00 34.13 32.57 1xqq s GLU 18 CO 0.13 0.50 1.63 -0.35 0.02 0.00 0.00 175.26 177.19 1xqq n PRO 19 N -0.05 0.13 -0.10 0.39 -0.04 -1.26 -0.84 135.00 133.23 1xqq n PRO 19 Ca -0.09 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 1xqq n PRO 19 Cb 0.54 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.97 1.08 -4.87 3.54 3.41 -1.26 0.27 113.62 113.81 1xqq n SER 20 Ca 0.03 -2.05 -0.34 0.00 -0.26 0.00 0.00 58.87 56.25 1xqq n SER 20 Cb 0.22 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.79 6.65 0.61 4.04 1.01 -0.02 -4.87 116.67 123.30 1xqq s ASP 21 Ca 0.10 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.16 1xqq s ASP 21 Cb 0.06 -2.19 0.04 0.00 1.01 0.00 0.00 42.92 41.84 1xqq s ASP 21 CO 0.06 0.12 0.88 0.42 0.21 0.00 0.00 175.17 176.86 1xqq s THR 22 N -1.48 2.81 -0.01 -1.27 -4.23 -1.26 -2.19 115.64 108.01 1xqq s THR 22 Ca 0.36 -0.39 0.11 0.00 -1.18 0.00 0.00 61.69 60.60 1xqq s THR 22 Cb -0.14 -3.12 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 1xqq s THR 22 CO 0.19 -0.11 1.21 0.40 -0.54 0.00 0.00 174.62 175.77 1xqq h ILE 23 N -0.20 1.23 -0.57 2.99 1.08 -1.33 0.09 117.51 120.81 1xqq h ILE 23 Ca -0.44 -2.83 0.11 0.00 -0.39 0.00 0.00 64.86 61.31 1xqq h ILE 23 Cb 1.29 2.59 -0.11 0.00 -3.07 0.00 0.00 36.82 37.52 1xqq h ILE 23 CO 0.57 0.70 -0.16 -0.08 -0.69 0.00 0.00 178.15 178.50 1xqq h GLU 24 N 0.00 -0.02 0.24 2.37 4.81 -1.85 0.35 114.58 120.49 1xqq h GLU 24 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xqq h GLU 24 Cb 1.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1xqq h GLU 24 CO 0.10 -0.01 -0.16 -0.91 -0.73 0.00 0.00 179.01 177.30 1xqq h ASN 25 N -0.02 -0.40 -1.00 1.04 -0.26 -1.68 -1.33 115.58 111.93 1xqq h ASN 25 Ca 0.27 0.03 0.23 0.00 -0.56 0.00 0.00 56.30 56.27 1xqq h ASN 25 Cb 0.44 0.12 -0.10 0.00 -1.06 0.00 0.00 38.32 37.72 1xqq h ASN 25 CO -0.60 -0.25 0.63 0.58 -1.06 0.00 0.00 177.43 176.72 1xqq h VAL 26 N -0.39 0.62 -0.41 2.81 2.07 -0.69 -2.18 116.25 118.09 1xqq h VAL 26 Ca -0.02 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1xqq h VAL 26 Cb 0.33 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1xqq h VAL 26 CO 0.02 0.10 -0.19 0.11 0.02 0.00 0.00 177.57 177.62 1xqq h LYS 27 N 0.56 0.85 -0.86 1.57 1.57 -0.22 -2.90 116.57 117.14 1xqq h LYS 27 Ca 0.58 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 59.08 1xqq h LYS 27 Cb 1.19 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1xqq h LYS 27 CO -0.33 1.01 0.56 0.00 -0.57 0.00 0.00 179.45 180.11 1xqq h ALA 28 N 0.82 1.66 -0.23 3.86 0.00 -0.80 -1.48 119.26 123.08 1xqq h ALA 28 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xqq h ALA 28 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xqq h ALA 28 CO 0.06 0.17 0.12 0.87 0.00 0.00 0.00 179.25 180.47 1xqq h LYS 29 N 0.85 0.32 -0.14 0.00 1.57 -1.41 0.36 116.57 118.13 1xqq h LYS 29 Ca 0.40 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1xqq h LYS 29 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xqq h LYS 29 CO -0.16 0.31 -0.57 0.82 -0.57 0.00 0.00 179.45 179.27 1xqq h ILE 30 N 0.25 1.34 -0.28 1.86 2.04 -1.25 0.22 117.51 121.69 1xqq h ILE 30 Ca 0.08 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1xqq h ILE 30 Cb 0.09 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1xqq h ILE 30 CO -0.01 0.57 0.14 -0.61 0.00 0.00 0.00 178.15 178.24 1xqq h GLN 31 N 0.33 0.40 -0.11 2.37 4.15 -1.26 0.19 115.11 121.18 1xqq h GLN 31 Ca 0.00 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.40 1xqq h GLN 31 Cb 1.10 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.65 1xqq h GLN 31 CO 0.10 0.37 -0.50 0.22 -1.93 0.00 0.00 178.83 177.09 1xqq h ASP 32 N 0.33 -1.58 0.12 -0.69 3.58 -0.66 -2.62 116.42 114.91 1xqq h ASP 32 Ca 0.10 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1xqq h ASP 32 Cb 0.09 0.62 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1xqq h ASP 32 CO -0.01 -0.47 -0.06 0.11 -2.88 0.00 0.00 179.24 175.93 1xqq h LYS 33 N -0.57 -0.15 0.00 0.28 1.79 -0.46 -3.39 116.57 114.06 1xqq h LYS 33 Ca 0.05 0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.40 1xqq h LYS 33 Cb 0.67 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1xqq h LYS 33 CO -0.41 -0.10 -0.94 0.93 -1.08 0.00 0.00 179.45 177.84 1xqq h GLU 34 N -0.30 0.00 -0.85 3.15 4.39 -0.84 -3.49 114.58 116.64 1xqq h GLU 34 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xqq h GLU 34 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1xqq h GLU 34 CO 0.03 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.64 1xqq n GLY 35 N 1.30 0.90 3.40 -3.84 0.00 -0.68 -5.00 105.19 101.27 1xqq n GLY 35 Ca -0.03 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.85 4.80 0.40 -0.61 1.01 -1.25 -4.98 121.20 117.72 1xqq s ILE 36 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 1xqq s ILE 36 Cb 0.00 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 1xqq s ILE 36 CO 0.00 -0.27 1.22 -2.65 0.00 0.00 0.00 174.94 173.24 1xqq n PRO 37 N 5.05 1.85 0.14 2.79 -0.02 -1.26 -4.02 135.00 139.53 1xqq n PRO 37 Ca -0.11 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.14 1xqq n PRO 37 Cb 0.46 -2.30 0.19 0.00 -0.02 0.00 0.00 33.50 31.83 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N 2.07 0.00 0.00 0.52 0.13 -1.95 -0.67 132.00 132.10 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 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1xqq h PRO 38 CO 0.60 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.92 1xqq h ASP 39 N 0.00 0.00 0.61 1.44 3.32 -1.98 -3.17 116.42 116.64 1xqq h ASP 39 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1xqq h ASP 39 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1xqq h ASP 39 CO 0.00 0.01 -1.42 1.56 -1.72 0.00 0.00 179.24 177.67 1xqq h GLN 40 N 0.00 0.13 -6.82 3.56 4.20 -1.45 -3.43 115.11 111.31 1xqq h GLN 40 Ca -0.00 -0.22 -0.52 0.00 0.06 0.00 0.00 58.65 57.96 1xqq h GLN 40 Cb 0.03 0.08 0.06 0.00 0.30 0.00 0.00 27.48 27.95 1xqq h GLN 40 CO 0.00 0.96 0.66 -0.65 -0.67 0.00 0.00 178.83 179.13 1xqq s GLN 41 N -2.64 4.36 -0.03 1.46 -0.21 -1.14 -0.25 119.66 121.21 1xqq s GLN 41 Ca -0.05 2.19 0.01 0.00 0.02 0.00 0.00 55.36 57.52 1xqq s GLN 41 Cb 0.08 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 31.00 1xqq s GLN 41 CO 0.84 -0.23 -0.02 0.50 -2.12 0.00 0.00 175.29 174.26 1xqq s ARG 42 N -1.20 0.44 -0.18 2.91 3.52 -1.08 -4.54 118.95 118.82 1xqq s ARG 42 Ca 0.52 -0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1xqq s ARG 42 Cb -0.39 -0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 32.45 1xqq s ARG 42 CO 0.48 -0.07 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.32 1xqq s LEU 43 N 0.74 2.92 -0.21 -0.88 1.43 -1.26 0.07 118.68 121.49 1xqq s LEU 43 Ca -0.08 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1xqq s LEU 43 Cb -0.11 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1xqq s LEU 43 CO -0.01 0.07 -0.14 -0.63 0.23 0.00 0.00 176.35 175.88 1xqq s ILE 44 N 0.93 2.44 -0.55 -0.59 1.01 0.18 -1.67 121.20 122.95 1xqq s ILE 44 Ca -0.01 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 1xqq s ILE 44 Cb -0.15 -2.13 0.08 0.00 0.01 0.00 0.00 42.46 40.27 1xqq s ILE 44 CO 0.01 0.38 0.66 0.12 0.00 0.00 0.00 174.94 176.11 1xqq s PHE 45 N 1.30 3.03 0.00 3.97 5.36 -0.58 -0.75 117.98 130.31 1xqq s PHE 45 Ca 0.02 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 1xqq s PHE 45 Cb -0.15 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1xqq s PHE 45 CO -0.09 -1.15 0.00 0.00 -1.46 0.00 0.00 175.22 172.52 1xqq n ALA 46 N 6.23 0.00 -1.73 11.12 0.00 -1.26 -1.07 120.51 133.79 1xqq n ALA 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xqq n ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.36 3.51 0.00 0.00 -1.26 -5.01 105.19 102.06 1xqq n GLY 47 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.26 -0.27 1.61 2.20 -0.24 -5.05 119.74 121.26 1xqq s LYS 48 Ca 0.00 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1xqq s LYS 48 Cb 0.00 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1xqq s LYS 48 CO 0.00 -0.80 1.24 -0.65 -0.36 0.00 0.00 175.35 174.78 1xqq s GLN 49 N 2.24 4.03 0.08 4.03 -0.21 -1.26 -1.52 119.66 127.05 1xqq s GLN 49 Ca 0.14 1.30 -0.22 0.00 0.02 0.00 0.00 55.36 56.61 1xqq s GLN 49 Cb -0.16 -3.82 -0.07 0.00 1.00 0.00 0.00 33.01 29.96 1xqq s GLN 49 CO 0.14 -0.97 0.65 -0.51 -2.12 0.00 0.00 175.29 172.48 1xqq s LEU 50 N 4.00 4.52 0.32 2.90 1.43 -0.67 -5.01 118.68 126.16 1xqq s LEU 50 Ca 0.53 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 1xqq s LEU 50 Cb -0.17 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1xqq s LEU 50 CO 0.19 0.20 0.48 -1.61 0.23 0.00 0.00 176.35 175.84 1xqq s GLU 51 N -0.87 3.37 0.02 1.70 2.02 -1.26 -4.75 118.70 118.93 1xqq s GLU 51 Ca 0.32 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1xqq s GLU 51 Cb -0.20 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 1xqq s GLU 51 CO 0.21 0.20 1.07 -0.44 0.02 0.00 0.00 175.26 176.32 1xqq h ASP 52 N 0.89 -0.23 -0.16 -0.19 3.32 -1.97 -3.28 116.42 114.80 1xqq h ASP 52 Ca -0.50 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xqq h ASP 52 Cb 1.23 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1xqq h ASP 52 CO 0.60 -0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 1xqq n GLY 53 N -1.05 -0.16 3.94 2.75 0.00 -1.26 -3.16 105.19 106.25 1xqq n GLY 53 Ca -0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.78 3.50 0.37 1.61 1.81 -1.24 -4.88 118.95 118.34 1xqq s ARG 54 Ca 0.18 -0.34 0.04 0.00 -1.72 0.00 0.00 55.73 53.88 1xqq s ARG 54 Cb 0.09 -2.70 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 1xqq s ARG 54 CO 0.13 0.21 0.54 0.95 -0.68 0.00 0.00 175.30 176.45 1xqq s THR 55 N -2.22 4.24 -0.09 0.02 -4.23 -1.26 -1.90 115.64 110.20 1xqq s THR 55 Ca 0.40 -0.76 0.30 0.00 -1.18 0.00 0.00 61.69 60.45 1xqq s THR 55 Cb -0.10 -3.51 0.36 0.00 1.34 0.00 0.00 72.50 70.59 1xqq s THR 55 CO 0.34 -0.27 1.89 -0.07 -0.54 0.00 0.00 174.62 175.97 1xqq h LEU 56 N 0.72 0.00 -0.77 4.79 3.38 -0.87 -2.88 115.31 119.68 1xqq h LEU 56 Ca -0.47 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 1xqq h LEU 56 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1xqq h LEU 56 CO 0.56 0.00 -0.56 0.28 0.09 0.00 0.00 178.44 178.81 1xqq h SER 57 N 0.00 0.18 0.21 -0.43 0.02 -0.49 -0.85 113.55 112.20 1xqq h SER 57 Ca 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1xqq h SER 57 Cb 0.55 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xqq h SER 57 CO 0.00 0.70 -0.10 0.44 -1.14 0.00 0.00 176.83 176.73 1xqq h ASP 58 N 0.13 -0.24 0.63 3.07 3.32 -1.79 -2.90 116.42 118.64 1xqq h ASP 58 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1xqq h ASP 58 Cb 1.02 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1xqq h ASP 58 CO 0.08 0.10 0.00 1.88 -1.72 0.00 0.00 179.24 179.58 1xqq h TYR 59 N -0.61 0.00 -3.01 4.55 0.05 -1.64 -3.47 116.97 112.85 1xqq h TYR 59 Ca -0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1xqq h TYR 59 Cb 0.44 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.23 1xqq h TYR 59 CO 0.02 0.00 -0.24 0.09 -1.05 0.00 0.00 178.16 176.99 1xqq n ASN 60 N -3.05 -2.35 -4.49 3.88 5.03 -1.08 -5.01 115.26 108.19 1xqq n ASN 60 Ca -0.01 -0.19 -0.42 0.00 0.87 0.00 0.00 54.58 54.83 1xqq n ASN 60 Cb 0.22 -1.96 -0.10 0.00 -1.02 0.00 0.00 39.78 36.91 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.11 5.21 1.10 2.41 1.01 -0.34 -5.02 121.20 122.45 1xqq s ILE 61 Ca 0.05 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 1xqq s ILE 61 Cb -0.02 -3.91 0.24 0.00 0.01 0.00 0.00 42.46 38.78 1xqq s ILE 61 CO 0.23 -0.26 1.12 -1.10 0.00 0.00 0.00 174.94 174.93 1xqq s GLN 62 N 1.86 -0.36 0.19 2.79 -1.52 -1.26 -4.76 119.66 116.59 1xqq s GLN 62 Ca 0.08 0.12 -0.33 0.00 -1.95 0.00 0.00 55.36 53.28 1xqq s GLN 62 Cb -0.18 -1.68 -0.14 0.00 -0.22 0.00 0.00 33.01 30.79 1xqq s GLN 62 CO 0.11 -3.18 1.37 0.36 -0.25 0.00 0.00 175.29 173.71 1xqq n LYS 63 N -4.42 1.73 -3.38 2.91 2.85 -1.26 -3.47 118.16 113.12 1xqq n LYS 63 Ca 0.10 0.62 -0.16 0.00 -1.05 0.00 0.00 58.31 57.81 1xqq n LYS 63 Cb 0.59 -2.25 0.09 0.00 -0.65 0.00 0.00 35.03 32.80 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 2.28 -6.15 -4.12 -1.58 1.02 0.48 -4.99 120.64 107.57 1xqq n GLU 64 Ca 0.14 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.85 1xqq n GLU 64 Cb 0.28 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 25.86 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 -4.26 5.28 -0.22 1.62 0.01 -1.23 -4.85 113.70 110.06 1xqq s SER 65 Ca 0.03 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 56.99 1xqq s SER 65 Cb -0.00 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 1xqq s SER 65 CO 0.71 0.08 0.11 -0.89 0.41 0.00 0.00 173.24 173.66 1xqq s THR 66 N -1.73 5.03 0.04 1.44 2.01 -1.26 -0.70 115.64 120.47 1xqq s THR 66 Ca 0.30 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1xqq s THR 66 Cb -0.10 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1xqq s THR 66 CO 0.22 0.40 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 67 N 0.81 3.05 -0.24 4.42 1.43 0.80 -4.75 118.68 124.19 1xqq s LEU 67 Ca 0.06 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1xqq s LEU 67 Cb -0.13 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1xqq s LEU 67 CO 0.02 0.25 0.14 -1.00 0.23 0.00 0.00 176.35 175.99 1xqq s HIS 68 N -1.05 3.25 -0.31 0.29 3.76 0.07 -1.71 115.29 119.60 1xqq s HIS 68 Ca 0.18 0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 55.05 1xqq s HIS 68 Cb -0.11 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1xqq s HIS 68 CO 0.09 -0.04 0.21 -1.17 -0.85 0.00 0.00 174.74 172.97 1xqq s LEU 69 N 1.20 4.21 0.00 0.89 2.96 0.06 0.51 118.68 128.51 1xqq s LEU 69 Ca 0.06 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1xqq s LEU 69 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1xqq s LEU 69 CO 0.05 -0.13 0.00 1.33 -1.32 0.00 0.00 176.35 176.28 1xqq n VAL 70 N 5.07 0.00 -3.10 1.68 0.24 0.11 -2.39 118.33 119.94 1xqq n VAL 70 Ca -0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1xqq n VAL 70 Cb 0.51 -0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.16 -0.30 1.34 2.96 -1.26 -2.63 118.68 122.94 1xqq s LEU 71 Ca 0.00 0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 54.52 1xqq s LEU 71 Cb 0.00 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1xqq s LEU 71 CO 0.00 -0.27 0.98 -0.60 -1.32 0.00 0.00 176.35 175.13 1xqq s ARG 72 N 1.86 4.06 0.25 1.98 3.52 0.65 -4.76 118.95 126.50 1xqq s ARG 72 Ca 0.30 0.95 0.04 0.00 -0.13 0.00 0.00 55.73 56.89 1xqq s ARG 72 Cb -0.16 -3.72 0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1xqq s ARG 72 CO 0.11 -0.79 0.33 1.28 -0.81 0.00 0.00 175.30 175.42 1xqq n LEU 73 N 6.58 0.00 -4.32 -0.88 4.77 -1.26 -4.84 117.00 117.04 1xqq n LEU 73 Ca 0.09 -1.09 -0.20 0.00 -0.03 0.00 0.00 56.01 54.78 1xqq n LEU 73 Cb 0.47 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1xqq n LEU 73 CO 0.55 -0.57 -0.46 -0.13 -1.33 0.00 0.00 177.39 175.45 1xqq s ARG 74 N -3.11 1.26 0.00 3.23 1.81 -1.26 -4.59 118.95 116.28 1xqq s ARG 74 Ca 0.25 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 1xqq s ARG 74 Cb -0.02 -1.20 0.00 0.00 -0.45 0.00 0.00 34.95 33.28 1xqq s ARG 74 CO 0.16 0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.42 1xqq n GLY 75 N 0.10 0.41 0.00 -3.53 0.00 -1.26 -5.33 105.19 95.57 1xqq n GLY 75 Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93