#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 3.81 0.04 3.17 -0.21 -1.26 -2.19 119.66 123.02 1xqq s GLN 2 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.02 1xqq s GLN 2 Cb 0.00 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 1xqq s GLN 2 CO 0.00 -0.11 -0.07 0.96 -2.12 0.00 0.00 175.29 173.96 1xqq s ILE 3 N 1.45 3.63 -0.03 1.08 -4.36 -0.81 -1.12 121.20 121.03 1xqq s ILE 3 Ca 0.06 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 1xqq s ILE 3 Cb -0.15 -2.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1xqq s ILE 3 CO 0.06 0.29 -0.01 -0.36 0.24 0.00 0.00 174.94 175.15 1xqq s PHE 4 N -1.09 3.08 -0.11 1.37 0.08 -1.07 -1.78 117.98 118.46 1xqq s PHE 4 Ca 0.19 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.34 1xqq s PHE 4 Cb -0.11 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1xqq s PHE 4 CO 0.11 0.44 -0.05 0.08 -0.10 0.00 0.00 175.22 175.70 1xqq s VAL 5 N -0.99 0.82 -0.22 -0.44 1.01 -0.44 -1.45 120.40 118.69 1xqq s VAL 5 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1xqq s VAL 5 Cb -0.11 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1xqq s VAL 5 CO 0.07 0.31 -0.13 -0.75 0.00 0.00 0.00 175.10 174.60 1xqq s LYS 6 N 1.79 2.75 1.30 2.72 2.20 0.02 -0.58 119.74 129.95 1xqq s LYS 6 Ca 0.05 -1.01 -0.19 0.00 -0.36 0.00 0.00 55.97 54.45 1xqq s LYS 6 Cb -0.13 -2.80 0.33 0.00 -1.51 0.00 0.00 37.83 33.72 1xqq s LYS 6 CO -0.07 -0.37 0.99 0.95 -0.36 0.00 0.00 175.35 176.49 1xqq s THR 7 N 1.25 1.51 0.23 3.43 -4.23 -0.24 -1.33 115.64 116.27 1xqq s THR 7 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1xqq s THR 7 Cb -0.16 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.56 1xqq s THR 7 CO -0.08 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 175.90 1xqq h LEU 8 N -3.02 0.70 0.04 4.79 5.85 -1.90 -3.33 115.31 118.43 1xqq h LEU 8 Ca -0.49 -0.25 -0.19 0.00 0.84 0.00 0.00 57.88 57.78 1xqq h LEU 8 Cb 1.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1xqq h LEU 8 CO 0.37 0.92 -1.00 0.71 -0.34 0.00 0.00 178.44 179.10 1xqq h THR 9 N 0.60 1.17 0.00 1.05 1.35 -1.95 -3.48 112.91 111.65 1xqq h THR 9 Ca 0.08 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1xqq h THR 9 Cb 0.73 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1xqq h THR 9 CO 0.06 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1xqq n GLY 10 N 1.58 0.00 3.66 5.82 0.00 -1.25 -5.12 105.19 109.88 1xqq n GLY 10 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 4.20 -0.46 1.61 2.20 -1.26 -4.92 119.74 121.11 1xqq s LYS 11 Ca 0.00 0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 55.94 1xqq s LYS 11 Cb 0.00 -3.57 0.06 0.00 -1.51 0.00 0.00 37.83 32.81 1xqq s LYS 11 CO 0.00 -0.19 0.38 0.99 -0.36 0.00 0.00 175.35 176.18 1xqq s THR 12 N 1.75 5.22 -0.29 3.43 2.01 -1.26 -1.07 115.64 125.41 1xqq s THR 12 Ca 0.26 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1xqq s THR 12 Cb -0.16 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1xqq s THR 12 CO 0.10 -0.51 0.36 -0.63 -0.69 0.00 0.00 174.62 173.25 1xqq s ILE 13 N 1.73 5.17 -0.26 1.82 1.01 0.26 -4.90 121.20 126.03 1xqq s ILE 13 Ca 0.05 0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1xqq s ILE 13 Cb -0.22 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1xqq s ILE 13 CO 0.08 0.08 0.17 -0.89 0.00 0.00 0.00 174.94 174.39 1xqq s THR 14 N 2.05 5.30 -0.00 2.92 2.01 -1.26 -1.32 115.64 125.33 1xqq s THR 14 Ca 0.14 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1xqq s THR 14 Cb -0.16 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1xqq s THR 14 CO 0.11 0.29 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.34 1xqq s LEU 15 N 1.49 2.07 -0.17 4.42 1.43 -0.73 -5.01 118.68 122.17 1xqq s LEU 15 Ca 0.07 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1xqq s LEU 15 Cb -0.15 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1xqq s LEU 15 CO 0.08 0.26 0.12 -0.70 0.23 0.00 0.00 176.35 176.35 1xqq s GLU 16 N -0.70 3.95 0.29 1.70 2.12 -1.26 -1.93 118.70 122.86 1xqq s GLU 16 Ca 0.09 -0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.24 1xqq s GLU 16 Cb -0.09 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1xqq s GLU 16 CO -0.00 0.43 0.17 0.14 -0.54 0.00 0.00 175.26 175.47 1xqq s VAL 17 N -0.04 0.21 0.21 3.70 -7.23 -0.93 -4.98 120.40 111.34 1xqq s VAL 17 Ca 0.10 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.37 1xqq s VAL 17 Cb -0.11 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1xqq s VAL 17 CO -0.00 0.00 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.98 1xqq s GLU 18 N -3.81 1.46 0.55 4.82 2.02 -1.26 -0.24 118.70 122.24 1xqq s GLU 18 Ca 0.37 -1.57 0.28 0.00 0.02 0.00 0.00 54.97 54.07 1xqq s GLU 18 Cb 0.05 -1.55 1.62 0.00 0.10 0.00 0.00 34.13 34.34 1xqq s GLU 18 CO 0.18 0.31 2.16 -1.35 0.02 0.00 0.00 175.26 176.58 1xqq h PRO 19 N 2.84 0.00 -0.18 0.39 0.11 -1.97 -2.85 132.00 130.34 1xqq h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xqq h PRO 19 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xqq h PRO 19 CO 0.55 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 1xqq n SER 20 N -3.76 1.20 -4.84 -2.05 7.64 -1.26 -1.70 113.62 108.85 1xqq n SER 20 Ca -0.02 -1.83 -0.34 0.00 1.01 0.00 0.00 58.87 57.69 1xqq n SER 20 Cb 0.16 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -1.26 6.85 0.41 6.43 1.01 -1.08 -4.84 116.67 124.20 1xqq s ASP 21 Ca 0.23 1.23 -0.17 0.00 0.71 0.00 0.00 52.55 54.55 1xqq s ASP 21 Cb 0.12 -2.35 -0.09 0.00 1.01 0.00 0.00 42.92 41.61 1xqq s ASP 21 CO 0.17 -0.06 0.86 0.42 0.21 0.00 0.00 175.17 176.78 1xqq s THR 22 N -1.72 4.57 0.26 -1.27 -4.23 -1.26 -2.02 115.64 109.96 1xqq s THR 22 Ca 0.47 1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 62.09 1xqq s THR 22 Cb -0.13 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.29 1xqq s THR 22 CO 0.19 -0.38 1.75 0.40 -0.54 0.00 0.00 174.62 176.04 1xqq h ILE 23 N 1.60 0.70 -0.79 2.99 1.08 -0.96 -2.09 117.51 120.05 1xqq h ILE 23 Ca -0.48 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1xqq h ILE 23 Cb 1.18 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1xqq h ILE 23 CO 0.63 0.10 0.52 -0.08 -0.69 0.00 0.00 178.15 178.63 1xqq h GLU 24 N 0.55 1.02 -0.06 2.37 4.81 -1.48 -0.97 114.58 120.83 1xqq h GLU 24 Ca 0.44 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1xqq h GLU 24 Cb 0.64 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1xqq h GLU 24 CO -0.38 0.67 -0.66 -0.91 -0.73 0.00 0.00 179.01 177.00 1xqq h ASN 25 N 1.05 0.28 -0.45 1.04 2.35 -1.68 -1.07 115.58 117.10 1xqq h ASN 25 Ca 0.29 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1xqq h ASN 25 Cb -0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1xqq h ASN 25 CO -0.07 0.86 0.17 0.58 -1.65 0.00 0.00 177.43 177.32 1xqq h VAL 26 N 0.17 1.20 0.00 2.81 2.07 -1.19 -0.68 116.25 120.63 1xqq h VAL 26 Ca -0.01 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1xqq h VAL 26 Cb 1.20 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1xqq h VAL 26 CO 0.10 0.25 -0.37 0.11 0.02 0.00 0.00 177.57 177.68 1xqq h LYS 27 N 0.72 0.00 -0.22 1.57 1.57 -0.59 -0.83 116.57 118.80 1xqq h LYS 27 Ca 0.17 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xqq h LYS 27 CO -0.01 0.37 -0.54 0.00 -0.57 0.00 0.00 179.45 178.70 1xqq h ALA 28 N 1.63 0.63 -0.23 3.86 0.00 -0.73 -3.01 119.26 121.40 1xqq h ALA 28 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1xqq h ALA 28 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xqq h ALA 28 CO 0.05 0.69 -0.06 0.87 0.00 0.00 0.00 179.25 180.80 1xqq h LYS 29 N 0.51 0.36 -0.09 0.00 1.57 -0.52 0.58 116.57 118.98 1xqq h LYS 29 Ca 0.01 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 29 Cb 1.11 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1xqq h LYS 29 CO 0.11 0.44 -0.46 0.82 -0.57 0.00 0.00 179.45 179.78 1xqq h ILE 30 N 0.35 1.33 -0.19 1.86 2.04 -1.22 0.27 117.51 121.95 1xqq h ILE 30 Ca 0.07 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 1xqq h ILE 30 Cb 0.33 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1xqq h ILE 30 CO 0.01 0.49 -0.21 -0.61 0.00 0.00 0.00 178.15 177.83 1xqq h GLN 31 N 0.18 0.48 -0.37 2.37 4.15 -1.05 -1.10 115.11 119.77 1xqq h GLN 31 Ca 0.01 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1xqq h GLN 31 Cb 0.89 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1xqq h GLN 31 CO 0.07 0.84 0.22 0.22 -1.93 0.00 0.00 178.83 178.25 1xqq h ASP 32 N 0.15 0.45 0.05 -0.69 3.58 0.43 -2.67 116.42 117.71 1xqq h ASP 32 Ca 0.03 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1xqq h ASP 32 Cb 0.76 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1xqq h ASP 32 CO 0.05 0.39 -0.02 0.50 -2.88 0.00 0.00 179.24 177.28 1xqq h LYS 33 N 0.48 -0.06 0.00 0.28 1.63 -0.52 -3.41 116.57 114.96 1xqq h LYS 33 Ca 0.13 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.84 1xqq h LYS 33 Cb 0.03 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1xqq h LYS 33 CO -0.02 -0.04 -0.65 1.49 -3.45 0.00 0.00 179.45 176.78 1xqq h GLU 34 N -0.93 0.00 0.00 1.90 4.57 -1.61 -3.50 114.58 115.01 1xqq h GLU 34 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1xqq h GLU 34 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1xqq h GLU 34 CO 0.01 0.61 0.00 0.41 -1.18 0.00 0.00 179.01 178.86 1xqq n GLY 35 N 1.56 1.64 3.70 1.92 0.00 -0.47 -5.02 105.19 108.53 1xqq n GLY 35 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 5.32 0.69 -0.61 1.01 -1.23 -4.97 121.20 119.40 1xqq s ILE 36 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 1xqq s ILE 36 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1xqq s ILE 36 CO 0.00 0.36 1.06 -2.16 0.00 0.00 0.00 174.94 174.20 1xqq s PRO 37 N 0.77 3.02 0.49 2.79 0.04 -1.26 -3.14 135.00 137.70 1xqq s PRO 37 Ca 0.13 0.73 0.26 0.00 0.04 0.00 0.00 61.00 62.16 1xqq s PRO 37 Cb -0.13 -2.02 1.27 0.00 0.04 0.00 0.00 34.50 33.67 1xqq s PRO 37 CO 0.04 -0.98 1.99 -1.35 0.04 0.00 0.00 177.00 176.73 1xqq h PRO 38 N -0.63 0.00 -0.17 0.56 0.11 -1.97 -3.15 132.00 126.75 1xqq h PRO 38 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 38 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.60 0.16 0.00 -0.44 -0.21 0.00 0.00 178.00 178.12 1xqq h ASP 39 N 0.00 0.22 1.09 -2.05 5.19 -1.93 -3.06 116.42 115.89 1xqq h ASP 39 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1xqq h ASP 39 Cb 0.47 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1xqq h ASP 39 CO 0.02 0.26 0.00 1.56 -3.12 0.00 0.00 179.24 177.96 1xqq h GLN 40 N 0.24 0.00 -4.56 3.56 4.20 -1.75 -3.41 115.11 113.39 1xqq h GLN 40 Ca 0.06 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.06 1xqq h GLN 40 Cb 0.16 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.71 1xqq h GLN 40 CO 0.00 0.00 -0.48 -0.65 -0.67 0.00 0.00 178.83 177.03 1xqq s GLN 41 N -3.37 2.89 -0.53 1.46 -0.21 -1.16 -0.18 119.66 118.55 1xqq s GLN 41 Ca 0.05 -1.05 -0.19 0.00 0.02 0.00 0.00 55.36 54.18 1xqq s GLN 41 Cb 0.09 -3.83 0.07 0.00 1.00 0.00 0.00 33.01 30.34 1xqq s GLN 41 CO 0.51 -0.72 0.66 1.03 -2.12 0.00 0.00 175.29 174.64 1xqq s ARG 42 N 1.60 3.10 -0.29 2.91 0.52 -0.19 -4.98 118.95 121.62 1xqq s ARG 42 Ca 0.03 -1.00 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 1xqq s ARG 42 Cb -0.19 -4.14 -0.03 0.00 0.52 0.00 0.00 34.95 31.11 1xqq s ARG 42 CO 0.08 -1.32 0.42 -0.51 0.02 0.00 0.00 175.30 173.98 1xqq s LEU 43 N 2.69 4.15 -0.08 2.53 1.43 -1.26 -2.43 118.68 125.70 1xqq s LEU 43 Ca 0.14 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1xqq s LEU 43 Cb -0.20 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1xqq s LEU 43 CO 0.10 -0.27 -0.13 -0.63 0.23 0.00 0.00 176.35 175.65 1xqq s ILE 44 N 2.15 3.15 -0.23 -0.59 1.01 -1.03 -1.16 121.20 124.50 1xqq s ILE 44 Ca 0.16 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1xqq s ILE 44 Cb -0.16 -2.27 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1xqq s ILE 44 CO 0.11 0.57 -0.14 0.12 0.00 0.00 0.00 174.94 175.60 1xqq s PHE 45 N -0.39 3.05 0.00 3.97 5.36 0.06 -0.26 117.98 129.78 1xqq s PHE 45 Ca 0.04 -2.07 0.00 0.00 -0.96 0.00 0.00 56.93 53.95 1xqq s PHE 45 Cb -0.12 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 1xqq s PHE 45 CO 0.02 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 172.93 1xqq n ALA 46 N 4.51 0.00 -1.23 11.12 0.00 -1.26 -2.69 120.51 130.95 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 0.23 0.00 0.00 0.00 0.00 19.45 20.12 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 4.49 3.09 0.00 0.00 -1.26 -5.00 105.19 106.51 1xqq n GLY 47 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.06 0.88 -0.04 1.61 2.20 -1.10 -5.15 119.74 115.08 1xqq s LYS 48 Ca 0.44 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1xqq s LYS 48 Cb 0.38 -0.85 -0.03 0.00 -1.51 0.00 0.00 37.83 35.82 1xqq s LYS 48 CO 0.04 0.22 -0.06 -1.14 -0.36 0.00 0.00 175.35 174.06 1xqq s GLN 49 N -0.64 2.69 -0.02 4.03 0.74 -1.26 -0.76 119.66 124.44 1xqq s GLN 49 Ca 0.02 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.71 1xqq s GLN 49 Cb -0.06 -2.57 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 1xqq s GLN 49 CO 0.00 0.64 0.34 -0.51 -0.55 0.00 0.00 175.29 175.21 1xqq s LEU 50 N -1.07 4.44 -0.10 3.68 1.43 -0.31 -5.01 118.68 121.75 1xqq s LEU 50 Ca 0.15 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1xqq s LEU 50 Cb -0.11 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1xqq s LEU 50 CO 0.04 0.33 -0.05 -0.70 0.23 0.00 0.00 176.35 176.20 1xqq s GLU 51 N -1.15 3.09 0.13 1.70 2.12 -1.26 -4.74 118.70 118.59 1xqq s GLU 51 Ca 0.22 -0.52 -0.32 0.00 0.36 0.00 0.00 54.97 54.71 1xqq s GLU 51 Cb -0.15 -2.72 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 1xqq s GLU 51 CO 0.11 0.53 1.53 -0.44 -0.54 0.00 0.00 175.26 176.45 1xqq h ASP 52 N 5.73 -1.88 0.26 -1.70 5.19 -1.97 -1.92 116.42 120.12 1xqq h ASP 52 Ca -0.43 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1xqq h ASP 52 Cb 1.18 0.78 0.00 0.00 0.18 0.00 0.00 39.33 41.48 1xqq h ASP 52 CO 0.56 -0.36 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 1xqq n GLY 53 N -1.34 -0.84 3.95 2.75 0.00 -1.26 -1.39 105.19 107.06 1xqq n GLY 53 Ca -0.02 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.40 0.83 0.55 1.61 1.81 -0.72 -4.89 118.95 115.74 1xqq s ARG 54 Ca 0.22 -0.68 0.07 0.00 -1.72 0.00 0.00 55.73 53.62 1xqq s ARG 54 Cb 0.13 -1.98 0.06 0.00 -0.45 0.00 0.00 34.95 32.71 1xqq s ARG 54 CO 0.28 -2.20 0.55 0.95 -0.68 0.00 0.00 175.30 174.20 1xqq s THR 55 N -3.70 1.85 0.18 0.02 -4.23 -1.26 -1.36 115.64 107.15 1xqq s THR 55 Ca 0.73 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1xqq s THR 55 Cb -0.04 -2.16 -0.11 0.00 1.34 0.00 0.00 72.50 71.54 1xqq s THR 55 CO 0.51 0.00 1.43 -0.07 -0.54 0.00 0.00 174.62 175.95 1xqq h LEU 56 N 0.54 0.37 -0.22 4.79 3.38 -1.13 -3.10 115.31 119.94 1xqq h LEU 56 Ca -0.34 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.23 1xqq h LEU 56 Cb 1.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1xqq h LEU 56 CO 0.51 1.00 -0.66 -1.28 0.09 0.00 0.00 178.44 178.10 1xqq h SER 57 N 0.20 0.00 -0.27 -0.43 0.87 -1.58 0.18 113.55 112.52 1xqq h SER 57 Ca -0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1xqq h SER 57 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 1xqq h SER 57 CO 0.12 0.66 0.01 -0.78 -0.53 0.00 0.00 176.83 176.32 1xqq h ASP 58 N 0.00 0.54 -0.07 6.23 3.58 -1.82 0.31 116.42 125.19 1xqq h ASP 58 Ca -0.01 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1xqq h ASP 58 Cb 1.41 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1xqq h ASP 58 CO 0.09 0.60 0.00 -1.22 -2.88 0.00 0.00 179.24 175.83 1xqq n TYR 59 N -4.27 0.08 -3.52 0.28 4.01 -1.19 -4.99 117.16 107.55 1xqq n TYR 59 Ca 0.02 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1xqq n TYR 59 Cb 0.25 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.06 -2.18 -4.62 7.72 4.13 0.11 -4.95 115.26 115.52 1xqq n ASN 60 Ca 0.18 -0.67 -0.43 0.00 1.68 0.00 0.00 54.58 55.34 1xqq n ASN 60 Cb 0.30 -4.82 -0.02 0.00 -1.54 0.00 0.00 39.78 33.70 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 -3.43 4.31 0.65 2.41 -1.09 0.02 -4.97 121.20 119.10 1xqq s ILE 61 Ca 0.06 1.44 -0.05 0.00 -2.23 0.00 0.00 60.65 59.86 1xqq s ILE 61 Cb -0.03 -4.44 0.14 0.00 -1.58 0.00 0.00 42.46 36.55 1xqq s ILE 61 CO 0.75 -0.70 0.89 0.00 -1.23 0.00 0.00 174.94 174.65 1xqq n GLN 62 N 7.37 -0.37 -1.94 2.79 6.02 -1.26 -4.61 117.38 125.37 1xqq n GLN 62 Ca 0.13 -1.94 -0.41 0.00 -0.01 0.00 0.00 57.00 54.76 1xqq n GLN 62 Cb 0.48 -0.74 -0.02 0.00 1.02 0.00 0.00 30.24 30.98 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 -4.83 4.22 -0.89 -1.09 -2.85 -1.26 -3.26 119.74 109.78 1xqq s LYS 63 Ca 0.55 2.38 -0.01 0.00 -1.00 0.00 0.00 55.97 57.89 1xqq s LYS 63 Cb -0.02 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.65 1xqq s LYS 63 CO 0.37 -0.50 0.07 0.39 0.10 0.00 0.00 175.35 175.79 1xqq n GLU 64 N 2.50 -1.24 -2.92 1.78 1.02 -0.28 -5.01 120.64 116.48 1xqq n GLU 64 Ca 0.08 0.51 -0.40 0.00 -0.02 0.00 0.00 57.16 57.32 1xqq n GLU 64 Cb 0.39 -4.56 -0.05 0.00 -0.02 0.00 0.00 31.44 27.20 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 -2.60 7.27 -0.24 1.62 0.15 -1.20 -4.93 113.70 113.77 1xqq s SER 65 Ca 0.04 1.52 -0.08 0.00 0.70 0.00 0.00 55.95 58.12 1xqq s SER 65 Cb -0.02 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1xqq s SER 65 CO 0.05 -0.01 0.10 -0.89 1.20 0.00 0.00 173.24 173.68 1xqq s THR 66 N 0.02 4.69 0.18 6.45 2.01 -1.26 -2.59 115.64 125.13 1xqq s THR 66 Ca 0.41 -0.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 1xqq s THR 66 Cb -0.21 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.04 1xqq s THR 66 CO 0.24 0.35 0.86 -0.76 -0.69 0.00 0.00 174.62 174.63 1xqq s LEU 67 N 1.29 4.59 -0.36 4.42 1.43 -0.53 -4.79 118.68 124.74 1xqq s LEU 67 Ca 0.05 1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 1xqq s LEU 67 Cb -0.15 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1xqq s LEU 67 CO 0.05 0.13 0.74 -1.00 0.23 0.00 0.00 176.35 176.49 1xqq s HIS 68 N -0.89 3.13 -0.50 0.29 3.76 0.64 -0.80 115.29 120.92 1xqq s HIS 68 Ca 0.40 0.50 -0.20 0.00 -0.15 0.00 0.00 55.06 55.60 1xqq s HIS 68 Cb -0.24 -3.31 0.05 0.00 1.11 0.00 0.00 32.58 30.19 1xqq s HIS 68 CO 0.29 -0.69 0.68 -1.17 -0.85 0.00 0.00 174.74 172.99 1xqq s LEU 69 N 2.96 4.74 -0.10 0.89 2.96 -0.44 -2.47 118.68 127.22 1xqq s LEU 69 Ca 0.29 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1xqq s LEU 69 Cb -0.14 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1xqq s LEU 69 CO 0.16 -0.92 0.03 -0.69 -1.32 0.00 0.00 176.35 173.61 1xqq s VAL 70 N 2.87 4.53 -0.10 1.68 1.01 -1.02 -4.06 120.40 125.30 1xqq s VAL 70 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1xqq s VAL 70 Cb -0.17 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1xqq s VAL 70 CO 0.14 0.59 0.08 -0.76 0.00 0.00 0.00 175.10 175.15 1xqq s LEU 71 N -0.74 4.02 0.42 3.92 1.43 -1.26 -1.03 118.68 125.44 1xqq s LEU 71 Ca 0.12 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1xqq s LEU 71 Cb -0.12 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 71 CO 0.02 0.39 0.04 0.00 0.23 0.00 0.00 176.35 177.03 1xqq s ARG 72 N -0.96 1.97 0.00 1.70 1.70 0.74 -4.95 118.95 119.15 1xqq s ARG 72 Ca 0.14 -2.18 0.00 0.00 -0.47 0.00 0.00 55.73 53.23 1xqq s ARG 72 Cb -0.12 -1.29 0.00 0.00 -0.57 0.00 0.00 34.95 32.97 1xqq s ARG 72 CO 0.03 -0.24 0.13 -0.11 -1.08 0.00 0.00 175.30 174.03 1xqq n LEU 73 N -1.00 1.36 0.00 -1.89 0.00 -1.26 -4.51 117.00 109.70 1xqq n LEU 73 Ca -0.09 0.31 -0.05 0.00 0.00 0.00 0.00 56.01 56.18 1xqq n LEU 73 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 43.42 43.84 1xqq n LEU 73 CO 0.42 -0.22 -0.03 0.54 0.00 0.00 0.00 177.39 178.09 1xqq n ARG 74 N -1.17 0.58 0.00 1.96 5.12 -1.26 -4.40 116.66 117.48 1xqq n ARG 74 Ca 0.00 -0.79 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 1xqq n ARG 74 Cb 0.00 0.51 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqq n GLY 75 N 0.97 1.97 0.00 -0.13 0.00 -1.26 -5.00 105.19 101.74 1xqq n GLY 75 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93