#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 3.90 0.12 3.17 -0.21 -1.26 -0.84 119.66 124.54 1xqq s GLN 2 Ca 0.00 -0.09 0.05 0.00 0.02 0.00 0.00 55.36 55.35 1xqq s GLN 2 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 1xqq s GLN 2 CO 0.00 0.50 -0.12 0.96 -2.12 0.00 0.00 175.29 174.51 1xqq s ILE 3 N -0.25 1.19 -0.30 1.08 -4.36 -0.87 -1.78 121.20 115.91 1xqq s ILE 3 Ca 0.13 -1.74 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1xqq s ILE 3 Cb -0.12 -1.51 0.08 0.00 1.25 0.00 0.00 42.46 42.15 1xqq s ILE 3 CO 0.02 -0.50 -0.02 -0.36 0.24 0.00 0.00 174.94 174.32 1xqq s PHE 4 N -2.38 3.50 -0.68 1.37 0.08 0.60 -0.98 117.98 119.50 1xqq s PHE 4 Ca 0.09 -2.60 -0.24 0.00 0.12 0.00 0.00 56.93 54.30 1xqq s PHE 4 Cb -0.03 -2.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.03 1xqq s PHE 4 CO 0.02 -0.91 1.06 0.08 -0.10 0.00 0.00 175.22 175.36 1xqq s VAL 5 N 1.03 4.15 -0.26 -0.44 1.01 -0.01 -1.34 120.40 124.54 1xqq s VAL 5 Ca 0.01 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1xqq s VAL 5 Cb -0.20 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 1xqq s VAL 5 CO -0.06 -1.57 0.53 -0.54 0.00 0.00 0.00 175.10 173.46 1xqq s LYS 6 N 4.55 4.08 0.46 2.72 1.02 -0.30 -0.49 119.74 131.78 1xqq s LYS 6 Ca 0.26 0.35 -0.08 0.00 0.02 0.00 0.00 55.97 56.52 1xqq s LYS 6 Cb -0.14 -3.65 0.11 0.00 -0.52 0.00 0.00 37.83 33.63 1xqq s LYS 6 CO 0.12 -0.35 0.49 0.25 -0.92 0.00 0.00 175.35 174.94 1xqq n THR 7 N 5.12 0.00 0.08 2.17 -2.24 -0.86 -0.76 114.28 117.80 1xqq n THR 7 Ca -0.04 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 1xqq n THR 7 Cb 0.50 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.20 -0.86 3.22 5.85 -1.89 -3.27 115.31 118.55 1xqq h LEU 8 Ca -0.17 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 1xqq h LEU 8 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1xqq h LEU 8 CO 0.12 1.05 -0.53 0.71 -0.34 0.00 0.00 178.44 179.45 1xqq h THR 9 N 0.06 1.37 0.00 1.05 1.35 -1.95 -3.48 112.91 111.32 1xqq h THR 9 Ca -0.05 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1xqq h THR 9 Cb 1.65 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1xqq h THR 9 CO 0.14 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1xqq n GLY 10 N 0.03 1.45 3.83 5.82 0.00 -1.24 -5.12 105.19 109.96 1xqq n GLY 10 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N -0.01 4.11 -0.17 1.61 -2.85 -1.26 -4.90 119.74 116.26 1xqq s LYS 11 Ca 0.00 0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 55.51 1xqq s LYS 11 Cb 0.00 -3.04 -0.05 0.00 -2.06 0.00 0.00 37.83 32.68 1xqq s LYS 11 CO 0.00 0.53 0.20 0.99 0.10 0.00 0.00 175.35 177.17 1xqq s THR 12 N -1.34 5.37 -0.42 3.79 2.01 -1.26 -2.03 115.64 121.75 1xqq s THR 12 Ca 0.35 0.35 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 1xqq s THR 12 Cb -0.17 -3.54 0.08 0.00 0.01 0.00 0.00 72.50 68.88 1xqq s THR 12 CO 0.19 0.43 0.27 -0.63 -0.69 0.00 0.00 174.62 174.19 1xqq s ILE 13 N 0.29 4.25 -0.16 1.82 1.01 0.35 -4.95 121.20 123.81 1xqq s ILE 13 Ca 0.12 -1.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 1xqq s ILE 13 Cb -0.12 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1xqq s ILE 13 CO 0.01 -0.52 1.33 -0.89 0.00 0.00 0.00 174.94 174.87 1xqq s THR 14 N 1.43 4.15 -0.23 2.92 2.01 -1.26 -0.83 115.64 123.83 1xqq s THR 14 Ca 0.03 1.38 -0.10 0.00 0.31 0.00 0.00 61.69 63.31 1xqq s THR 14 Cb -0.23 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1xqq s THR 14 CO 0.02 -0.15 0.15 -0.76 -0.69 0.00 0.00 174.62 173.19 1xqq s LEU 15 N 3.69 4.12 -0.93 4.42 1.43 -0.15 -4.94 118.68 126.32 1xqq s LEU 15 Ca 0.58 0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 53.57 1xqq s LEU 15 Cb -0.23 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 43.93 1xqq s LEU 15 CO 0.18 0.09 1.46 -1.61 0.23 0.00 0.00 176.35 176.69 1xqq s GLU 16 N 0.91 3.38 0.21 1.70 2.02 -1.26 -2.04 118.70 123.61 1xqq s GLU 16 Ca 0.07 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.31 1xqq s GLU 16 Cb -0.13 -5.01 -0.05 0.00 0.10 0.00 0.00 34.13 29.04 1xqq s GLU 16 CO 0.03 -2.30 0.00 0.14 0.02 0.00 0.00 175.26 173.16 1xqq s VAL 17 N 5.68 0.87 0.39 2.63 -7.23 -0.02 -4.90 120.40 117.82 1xqq s VAL 17 Ca 0.46 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1xqq s VAL 17 Cb -0.03 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1xqq s VAL 17 CO -0.02 -0.37 0.56 -1.61 -0.31 0.00 0.00 175.10 173.35 1xqq s GLU 18 N -3.89 3.06 0.62 4.82 2.02 -1.26 0.23 118.70 124.29 1xqq s GLU 18 Ca 0.27 -0.81 0.34 0.00 0.02 0.00 0.00 54.97 54.80 1xqq s GLU 18 Cb 0.06 -2.70 2.01 0.00 0.10 0.00 0.00 34.13 33.59 1xqq s GLU 18 CO 0.07 -0.11 2.29 -1.35 0.02 0.00 0.00 175.26 176.17 1xqq h PRO 19 N 0.65 0.00 0.00 0.39 0.11 -1.95 -2.85 132.00 128.35 1xqq h PRO 19 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xqq h PRO 19 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 19 CO 0.54 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 178.95 1xqq h SER 20 N 0.00 0.00 -4.04 -2.05 4.64 -1.98 -2.71 113.55 107.41 1xqq h SER 20 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1xqq h SER 20 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1xqq h SER 20 CO -0.00 0.04 0.39 -1.81 -0.87 0.00 0.00 176.83 174.58 1xqq s ASP 21 N -5.73 6.49 0.71 4.97 1.01 -1.08 -4.86 116.67 118.19 1xqq s ASP 21 Ca -0.03 1.96 -0.06 0.00 0.71 0.00 0.00 52.55 55.13 1xqq s ASP 21 Cb 0.13 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.57 1xqq s ASP 21 CO 0.51 -0.67 1.01 0.42 0.21 0.00 0.00 175.17 176.64 1xqq s THR 22 N -1.88 2.28 -0.14 -1.27 -4.23 -1.26 -2.01 115.64 107.13 1xqq s THR 22 Ca 0.64 -0.35 0.21 0.00 -1.18 0.00 0.00 61.69 61.02 1xqq s THR 22 Cb -0.18 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1xqq s THR 22 CO 0.22 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.34 1xqq h ILE 23 N -0.59 0.47 -0.50 2.99 1.08 -1.18 -3.06 117.51 116.72 1xqq h ILE 23 Ca -0.43 -1.45 0.07 0.00 -0.39 0.00 0.00 64.86 62.66 1xqq h ILE 23 Cb 1.30 2.06 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 1xqq h ILE 23 CO 0.54 0.24 0.16 -0.08 -0.69 0.00 0.00 178.15 178.33 1xqq h GLU 24 N 0.00 0.32 0.00 2.37 4.81 -1.51 0.44 114.58 121.01 1xqq h GLU 24 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1xqq h GLU 24 Cb 1.04 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1xqq h GLU 24 CO 0.03 0.21 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.53 1xqq h ASN 25 N 0.33 0.00 0.00 1.04 2.35 -1.85 0.25 115.58 117.69 1xqq h ASN 25 Ca 0.24 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1xqq h ASN 25 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1xqq h ASN 25 CO -0.26 0.08 -0.27 0.58 -1.65 0.00 0.00 177.43 175.91 1xqq h VAL 26 N 0.00 0.41 -1.02 2.81 2.07 -1.32 -3.19 116.25 116.01 1xqq h VAL 26 Ca -0.00 -1.36 0.32 0.00 0.82 0.00 0.00 66.70 66.48 1xqq h VAL 26 Cb 0.59 0.82 -0.14 0.00 -1.52 0.00 0.00 31.29 31.04 1xqq h VAL 26 CO 0.01 0.14 0.59 0.11 0.02 0.00 0.00 177.57 178.44 1xqq h LYS 27 N -1.00 0.34 -0.60 1.57 1.57 0.01 -2.26 116.57 116.20 1xqq h LYS 27 Ca -0.04 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xqq h LYS 27 Cb 0.44 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1xqq h LYS 27 CO -0.02 0.22 0.37 0.00 -0.57 0.00 0.00 179.45 179.45 1xqq h ALA 28 N 1.82 0.78 -0.52 3.86 0.00 -0.61 -0.52 119.26 124.07 1xqq h ALA 28 Ca 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 1xqq h ALA 28 Cb 1.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1xqq h ALA 28 CO -0.58 0.10 0.21 0.87 0.00 0.00 0.00 179.25 179.85 1xqq h LYS 29 N 0.72 0.74 -0.05 0.00 1.57 -1.41 0.13 116.57 118.27 1xqq h LYS 29 Ca 0.24 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1xqq h LYS 29 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1xqq h LYS 29 CO -0.10 0.61 -0.46 0.82 -0.57 0.00 0.00 179.45 179.75 1xqq h ILE 30 N 0.74 1.33 -0.13 1.86 1.08 -1.07 0.90 117.51 122.22 1xqq h ILE 30 Ca 0.18 -1.61 -0.11 0.00 -0.39 0.00 0.00 64.86 62.93 1xqq h ILE 30 Cb 0.15 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 1xqq h ILE 30 CO -0.02 0.47 -0.34 -0.61 -0.69 0.00 0.00 178.15 176.96 1xqq h GLN 31 N 0.11 0.46 -0.61 2.37 4.15 -0.88 -0.42 115.11 120.28 1xqq h GLN 31 Ca 0.01 -0.32 0.08 0.00 0.77 0.00 0.00 58.65 59.19 1xqq h GLN 31 Cb 0.85 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.52 1xqq h GLN 31 CO 0.07 0.94 0.26 0.22 -1.93 0.00 0.00 178.83 178.38 1xqq h ASP 32 N 0.05 0.30 0.00 -0.69 3.58 -0.43 -0.96 116.42 118.27 1xqq h ASP 32 Ca -0.01 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 1xqq h ASP 32 Cb 0.96 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1xqq h ASP 32 CO 0.07 0.18 -0.85 0.29 -2.88 0.00 0.00 179.24 176.06 1xqq n LYS 33 N -4.95 0.49 0.02 0.28 5.02 0.26 -4.63 118.16 114.66 1xqq n LYS 33 Ca 0.08 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 1xqq n LYS 33 Cb 0.25 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.00 0.04 0.00 1.97 4.39 -1.19 -3.49 114.58 115.30 1xqq h GLU 34 Ca -0.13 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1xqq h GLU 34 Cb 0.81 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1xqq h GLU 34 CO -0.08 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 178.96 1xqq n GLY 35 N 1.51 0.81 3.64 -3.84 0.00 -0.37 -5.00 105.19 101.94 1xqq n GLY 35 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 4.17 0.63 -0.61 1.01 -1.25 -4.96 121.20 118.05 1xqq s ILE 36 Ca 0.00 1.36 -0.18 0.00 0.00 0.00 0.00 60.65 61.83 1xqq s ILE 36 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1xqq s ILE 36 CO 0.00 -0.33 1.22 -2.84 0.00 0.00 0.00 174.94 172.99 1xqq s PRO 37 N 3.94 2.76 0.49 2.79 0.02 -1.26 -4.12 135.00 139.62 1xqq s PRO 37 Ca 0.57 1.85 0.28 0.00 0.02 0.00 0.00 61.00 63.72 1xqq s PRO 37 Cb -0.19 -1.90 0.93 0.00 0.02 0.00 0.00 34.50 33.36 1xqq s PRO 37 CO 0.20 -1.38 1.82 -1.00 -0.33 0.00 0.00 177.00 176.32 1xqq h PRO 38 N 0.62 0.00 0.00 5.54 0.13 -1.93 -0.96 132.00 135.41 1xqq h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.54 0.05 -0.06 0.38 -0.23 0.00 0.00 178.00 178.68 1xqq h ASP 39 N 0.00 0.00 0.92 1.44 2.03 -1.90 -2.99 116.42 115.93 1xqq h ASP 39 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1xqq h ASP 39 CO 0.01 0.00 -0.91 -0.61 -1.03 0.00 0.00 179.24 176.70 1xqq h GLN 40 N 0.00 0.00 -6.73 4.15 4.15 -1.55 -3.35 115.11 111.78 1xqq h GLN 40 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 1xqq h GLN 40 Cb 0.94 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.65 1xqq h GLN 40 CO 0.00 0.00 0.53 -0.65 -1.93 0.00 0.00 178.83 176.78 1xqq s GLN 41 N -3.30 4.54 -0.06 1.69 -0.21 -0.47 -2.16 119.66 119.69 1xqq s GLN 41 Ca 0.01 1.87 0.02 0.00 0.02 0.00 0.00 55.36 57.28 1xqq s GLN 41 Cb 0.11 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.93 1xqq s GLN 41 CO 0.77 0.02 -0.09 0.50 -2.12 0.00 0.00 175.29 174.37 1xqq s ARG 42 N -0.82 1.36 -0.15 2.91 3.52 -0.68 -4.81 118.95 120.28 1xqq s ARG 42 Ca 0.49 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 1xqq s ARG 42 Cb -0.33 -1.20 0.01 0.00 -1.56 0.00 0.00 34.95 31.87 1xqq s ARG 42 CO 0.40 -0.02 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.16 1xqq s LEU 43 N 0.79 2.22 -0.07 -0.88 1.43 -1.26 -1.82 118.68 119.08 1xqq s LEU 43 Ca -0.13 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1xqq s LEU 43 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1xqq s LEU 43 CO 0.02 0.07 -0.21 -0.63 0.23 0.00 0.00 176.35 175.83 1xqq s ILE 44 N 0.89 2.39 -0.23 -0.59 -1.09 -0.50 -1.52 121.20 120.56 1xqq s ILE 44 Ca -0.05 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1xqq s ILE 44 Cb -0.15 -1.91 0.05 0.00 -1.58 0.00 0.00 42.46 38.86 1xqq s ILE 44 CO -0.03 0.56 -0.13 0.12 -1.23 0.00 0.00 174.94 174.24 1xqq s PHE 45 N -0.09 2.92 0.00 3.97 5.36 0.51 -0.85 117.98 129.80 1xqq s PHE 45 Ca -0.05 -1.98 0.00 0.00 -0.96 0.00 0.00 56.93 53.94 1xqq s PHE 45 Cb -0.14 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 1xqq s PHE 45 CO 0.04 -0.83 0.00 0.00 -1.46 0.00 0.00 175.22 172.97 1xqq n ALA 46 N 4.54 0.00 -0.16 11.12 0.00 -1.26 -0.64 120.51 134.11 1xqq n ALA 46 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.17 3.81 0.00 0.00 -1.26 -5.05 105.19 102.86 1xqq n GLY 47 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.34 4.10 -0.31 1.61 1.02 0.19 -5.05 119.74 120.96 1xqq s LYS 48 Ca 0.00 0.59 -0.22 0.00 0.02 0.00 0.00 55.97 56.36 1xqq s LYS 48 Cb 0.00 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1xqq s LYS 48 CO 0.00 0.62 0.74 -1.14 -0.92 0.00 0.00 175.35 174.65 1xqq s GLN 49 N -0.96 3.93 -0.05 1.68 0.74 -1.26 -0.36 119.66 123.37 1xqq s GLN 49 Ca 0.27 0.49 -0.26 0.00 0.05 0.00 0.00 55.36 55.90 1xqq s GLN 49 Cb -0.18 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 1xqq s GLN 49 CO 0.16 -0.66 0.83 -0.51 -0.55 0.00 0.00 175.29 174.57 1xqq s LEU 50 N 2.86 4.32 0.17 3.68 1.43 -0.57 -4.96 118.68 125.61 1xqq s LEU 50 Ca 0.30 1.38 0.08 0.00 -1.03 0.00 0.00 54.13 54.86 1xqq s LEU 50 Cb -0.14 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1xqq s LEU 50 CO 0.12 -0.21 -0.03 -1.61 0.23 0.00 0.00 176.35 174.86 1xqq s GLU 51 N 1.04 2.32 0.03 1.70 2.02 -1.26 -4.52 118.70 120.03 1xqq s GLU 51 Ca 0.44 -1.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.05 1xqq s GLU 51 Cb -0.19 -2.31 -0.16 0.00 0.10 0.00 0.00 34.13 31.57 1xqq s GLU 51 CO 0.21 0.45 1.41 -0.44 0.02 0.00 0.00 175.26 176.92 1xqq h ASP 52 N 2.78 0.15 -0.18 -0.19 5.19 -1.97 -1.62 116.42 120.59 1xqq h ASP 52 Ca -0.47 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 1xqq h ASP 52 Cb 1.20 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1xqq h ASP 52 CO 0.57 0.48 0.00 0.61 -3.12 0.00 0.00 179.24 177.78 1xqq n GLY 53 N -0.11 1.09 3.99 2.75 0.00 -1.26 -1.44 105.19 110.21 1xqq n GLY 53 Ca -0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.59 2.95 0.53 1.61 1.81 -0.61 -4.96 118.95 118.68 1xqq s ARG 54 Ca 0.15 -1.15 0.08 0.00 -1.72 0.00 0.00 55.73 53.08 1xqq s ARG 54 Cb 0.10 -2.77 0.05 0.00 -0.45 0.00 0.00 34.95 31.88 1xqq s ARG 54 CO 0.07 -0.11 0.56 0.95 -0.68 0.00 0.00 175.30 176.08 1xqq s THR 55 N -2.28 2.06 0.13 0.02 -4.23 -1.26 -2.01 115.64 108.07 1xqq s THR 55 Ca 0.50 -1.25 -0.15 0.00 -1.18 0.00 0.00 61.69 59.61 1xqq s THR 55 Cb -0.09 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1xqq s THR 55 CO 0.32 0.00 1.59 -0.07 -0.54 0.00 0.00 174.62 175.92 1xqq h LEU 56 N 0.56 0.69 -0.78 4.79 3.38 -1.50 -3.28 115.31 119.17 1xqq h LEU 56 Ca -0.35 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.47 1xqq h LEU 56 Cb 1.29 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1xqq h LEU 56 CO 0.50 0.81 0.35 -1.28 0.09 0.00 0.00 178.44 178.91 1xqq h SER 57 N 0.55 0.37 0.39 -0.43 0.87 -1.72 -2.39 113.55 111.19 1xqq h SER 57 Ca 0.12 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1xqq h SER 57 Cb 0.44 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1xqq h SER 57 CO 0.02 0.15 -0.33 0.44 -0.53 0.00 0.00 176.83 176.57 1xqq h ASP 58 N 0.51 0.00 0.61 6.23 3.32 -1.88 -2.76 116.42 122.45 1xqq h ASP 58 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1xqq h ASP 58 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xqq h ASP 58 CO -0.38 0.33 -0.41 -1.22 -1.72 0.00 0.00 179.24 175.84 1xqq n TYR 59 N -4.04 0.03 -1.24 4.55 4.01 -1.13 -4.96 117.16 114.38 1xqq n TYR 59 Ca -0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xqq n TYR 59 Cb 0.38 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.53 -1.49 -4.26 7.72 5.03 -1.04 -5.03 115.26 114.66 1xqq n ASN 60 Ca 0.06 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.09 1xqq n ASN 60 Cb 0.34 -0.37 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 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 -2.66 4.49 0.58 2.41 1.01 -0.91 -5.03 121.20 121.09 1xqq s ILE 61 Ca 0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.04 1xqq s ILE 61 Cb 0.00 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.71 1xqq s ILE 61 CO 0.00 -0.73 0.80 0.00 0.00 0.00 0.00 174.94 175.01 1xqq n GLN 62 N 5.00 -0.06 -2.09 2.79 6.02 -1.26 -4.56 117.38 123.22 1xqq n GLN 62 Ca -0.10 -2.04 -0.38 0.00 -0.01 0.00 0.00 57.00 54.47 1xqq n GLN 62 Cb 0.41 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 31.11 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -4.56 3.64 -0.78 -1.09 -2.85 -1.26 -4.17 119.74 108.67 1xqq s LYS 63 Ca 0.52 1.97 -0.01 0.00 -1.00 0.00 0.00 55.97 57.45 1xqq s LYS 63 Cb -0.03 -2.44 -0.01 0.00 -2.06 0.00 0.00 37.83 33.29 1xqq s LYS 63 CO 0.35 -0.70 0.65 0.39 0.10 0.00 0.00 175.35 176.14 1xqq n GLU 64 N -0.49 -3.68 -4.41 1.78 1.02 -0.73 -5.00 120.64 109.13 1xqq n GLU 64 Ca 0.07 0.57 -0.21 0.00 -0.02 0.00 0.00 57.16 57.57 1xqq n GLU 64 Cb 0.46 -4.66 -0.16 0.00 -0.02 0.00 0.00 31.44 27.06 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 -3.74 1.29 -0.27 1.62 0.15 -1.26 -4.93 113.70 106.56 1xqq s SER 65 Ca 0.08 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 1xqq s SER 65 Cb -0.01 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1xqq s SER 65 CO 0.49 0.05 1.20 -0.89 1.20 0.00 0.00 173.24 175.29 1xqq s THR 66 N 0.36 4.33 -0.06 6.45 2.01 -1.26 -0.29 115.64 127.19 1xqq s THR 66 Ca -0.06 1.55 0.04 0.00 0.31 0.00 0.00 61.69 63.52 1xqq s THR 66 Cb -0.11 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 1xqq s THR 66 CO 0.01 -0.37 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.65 1xqq s LEU 67 N 3.85 2.63 -0.26 4.42 1.02 -0.45 -4.75 118.68 125.14 1xqq s LEU 67 Ca 0.52 -0.26 -0.10 0.00 0.02 0.00 0.00 54.13 54.30 1xqq s LEU 67 Cb -0.16 -1.53 -0.05 0.00 0.02 0.00 0.00 46.19 44.47 1xqq s LEU 67 CO 0.17 0.31 0.16 -1.00 0.02 0.00 0.00 176.35 176.02 1xqq s HIS 68 N -0.54 3.26 -0.31 0.29 3.76 -0.03 -1.15 115.29 120.57 1xqq s HIS 68 Ca 0.07 0.13 -0.15 0.00 -0.15 0.00 0.00 55.06 54.97 1xqq s HIS 68 Cb -0.11 -2.31 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 1xqq s HIS 68 CO 0.01 -0.06 0.36 -1.17 -0.85 0.00 0.00 174.74 173.03 1xqq s LEU 69 N 1.38 4.24 0.42 0.89 2.96 0.06 -1.41 118.68 127.23 1xqq s LEU 69 Ca 0.07 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1xqq s LEU 69 Cb -0.15 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1xqq s LEU 69 CO 0.07 -0.26 0.08 0.68 -1.32 0.00 0.00 176.35 175.60 1xqq s VAL 70 N 2.03 0.87 0.04 1.68 -7.23 -0.76 -3.49 120.40 113.55 1xqq s VAL 70 Ca 0.13 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1xqq s VAL 70 Cb -0.16 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1xqq s VAL 70 CO 0.11 0.00 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.91 1xqq s LEU 71 N -3.66 2.15 0.00 1.32 1.02 -1.26 -1.68 118.68 116.57 1xqq s LEU 71 Ca 0.21 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1xqq s LEU 71 Cb 0.03 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 45.12 1xqq s LEU 71 CO 0.12 0.22 0.04 -2.11 0.02 0.00 0.00 176.35 174.63 1xqq n ARG 72 N 1.89 0.97 -2.36 1.70 1.85 -0.92 -4.90 116.66 114.90 1xqq n ARG 72 Ca -0.17 -3.01 -0.31 0.00 -1.00 0.00 0.00 57.85 53.36 1xqq n ARG 72 Cb 0.53 0.75 -0.02 0.00 -1.05 0.00 0.00 32.46 32.66 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xqq s LEU 73 N 0.00 3.57 0.54 2.89 1.43 -1.26 -4.84 118.68 121.01 1xqq s LEU 73 Ca 0.03 1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 1xqq s LEU 73 Cb -0.00 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1xqq s LEU 73 CO 0.02 -0.62 1.00 -0.13 0.23 0.00 0.00 176.35 176.85 1xqq s ARG 74 N -4.30 3.82 0.00 1.70 0.52 -1.26 -4.69 118.95 114.73 1xqq s ARG 74 Ca 0.56 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.72 1xqq s ARG 74 Cb -0.10 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1xqq s ARG 74 CO 0.37 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1xqq n GLY 75 N -1.69 -1.88 0.00 -3.53 0.00 -1.26 -5.03 105.19 91.80 1xqq n GLY 75 Ca 0.07 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93