#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 3.91 0.28 3.17 -0.21 -1.26 -1.40 119.66 124.15 1xqq s GLN 2 Ca 0.00 0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.96 1xqq s GLN 2 Cb 0.00 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 1xqq s GLN 2 CO 0.00 0.11 0.12 0.96 -2.12 0.00 0.00 175.29 174.36 1xqq s ILE 3 N -2.09 0.47 -0.11 1.08 -4.36 -0.03 -1.02 121.20 115.13 1xqq s ILE 3 Ca 0.52 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1xqq s ILE 3 Cb -0.10 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1xqq s ILE 3 CO 0.22 0.00 -0.11 -0.36 0.24 0.00 0.00 174.94 174.93 1xqq s PHE 4 N -3.70 2.84 -0.34 1.37 0.08 0.17 -1.19 117.98 117.20 1xqq s PHE 4 Ca 0.37 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 57.02 1xqq s PHE 4 Cb 0.07 -1.81 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 1xqq s PHE 4 CO 0.15 -0.05 0.06 0.08 -0.10 0.00 0.00 175.22 175.36 1xqq s VAL 5 N 0.03 2.55 -0.12 -0.44 1.01 0.11 -0.75 120.40 122.78 1xqq s VAL 5 Ca -0.03 -2.11 -0.23 0.00 0.00 0.00 0.00 61.98 59.61 1xqq s VAL 5 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1xqq s VAL 5 CO 0.04 -0.50 0.70 -0.75 0.00 0.00 0.00 175.10 174.59 1xqq s LYS 6 N 1.01 4.35 0.80 2.72 2.20 -0.48 -1.10 119.74 129.25 1xqq s LYS 6 Ca 0.06 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.38 1xqq s LYS 6 Cb -0.20 -3.50 0.09 0.00 -1.51 0.00 0.00 37.83 32.71 1xqq s LYS 6 CO -0.06 -0.08 1.16 0.95 -0.36 0.00 0.00 175.35 176.96 1xqq s THR 7 N 1.31 2.05 0.40 3.43 -4.23 0.03 -2.18 115.64 116.44 1xqq s THR 7 Ca 0.35 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 1xqq s THR 7 Cb -0.17 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.97 1xqq s THR 7 CO 0.15 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.15 1xqq h LEU 8 N -1.03 0.52 -1.42 4.79 3.38 -1.90 -1.66 115.31 117.98 1xqq h LEU 8 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1xqq h LEU 8 Cb 1.32 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xqq h LEU 8 CO 0.62 0.34 -0.16 0.71 0.09 0.00 0.00 178.44 180.03 1xqq h THR 9 N 0.59 0.47 0.00 0.22 1.35 -1.96 -3.46 112.91 110.11 1xqq h THR 9 Ca 0.26 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1xqq h THR 9 Cb 0.28 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1xqq h THR 9 CO -0.08 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1xqq n GLY 10 N -0.12 0.53 3.82 5.82 0.00 -0.63 -5.10 105.19 109.51 1xqq n GLY 10 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.72 3.59 -0.16 1.61 2.20 -1.26 -4.73 119.74 120.26 1xqq s LYS 11 Ca 0.00 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.73 1xqq s LYS 11 Cb 0.00 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1xqq s LYS 11 CO 0.00 -0.58 -0.10 0.99 -0.36 0.00 0.00 175.35 175.30 1xqq s THR 12 N -2.46 3.20 -0.28 3.43 2.01 -1.26 -0.79 115.64 119.50 1xqq s THR 12 Ca 0.62 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1xqq s THR 12 Cb -0.14 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 70.02 1xqq s THR 12 CO 0.33 0.49 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.10 1xqq s ILE 13 N 0.75 3.02 -0.47 1.82 1.01 -0.26 -4.94 121.20 122.13 1xqq s ILE 13 Ca -0.04 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 1xqq s ILE 13 Cb -0.15 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1xqq s ILE 13 CO 0.02 0.05 0.53 -0.89 0.00 0.00 0.00 174.94 174.64 1xqq s THR 14 N 1.31 5.00 0.13 2.92 2.01 -1.26 -0.71 115.64 125.03 1xqq s THR 14 Ca -0.02 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.55 1xqq s THR 14 Cb -0.18 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1xqq s THR 14 CO -0.02 -0.63 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.45 1xqq s LEU 15 N 2.31 3.11 -0.41 4.42 1.43 -0.34 -4.95 118.68 124.27 1xqq s LEU 15 Ca 0.13 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1xqq s LEU 15 Cb -0.19 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 44.24 1xqq s LEU 15 CO 0.12 0.15 0.24 -1.61 0.23 0.00 0.00 176.35 175.48 1xqq s GLU 16 N -2.43 2.54 0.41 1.70 2.02 -1.26 -0.85 118.70 120.83 1xqq s GLU 16 Ca 0.23 -1.47 0.05 0.00 0.02 0.00 0.00 54.97 53.80 1xqq s GLU 16 Cb -0.11 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.34 1xqq s GLU 16 CO 0.15 -0.94 0.03 0.14 0.02 0.00 0.00 175.26 174.66 1xqq s VAL 17 N 1.39 1.58 0.49 2.63 -7.23 -0.49 -4.93 120.40 113.83 1xqq s VAL 17 Ca 0.03 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1xqq s VAL 17 Cb -0.23 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1xqq s VAL 17 CO 0.01 0.00 0.48 -1.61 -0.31 0.00 0.00 175.10 173.67 1xqq s GLU 18 N -3.78 2.41 0.40 4.82 2.02 -1.26 -0.18 118.70 123.14 1xqq s GLU 18 Ca 0.29 -1.70 0.28 0.00 0.02 0.00 0.00 54.97 53.86 1xqq s GLU 18 Cb 0.08 -2.36 1.03 0.00 0.10 0.00 0.00 34.13 32.97 1xqq s GLU 18 CO 0.14 -0.47 1.82 -1.35 0.02 0.00 0.00 175.26 175.43 1xqq h PRO 19 N 0.75 0.00 -0.37 0.39 0.11 -1.96 -3.10 132.00 127.82 1xqq h PRO 19 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xqq h PRO 19 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xqq h PRO 19 CO 0.53 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.75 1xqq n SER 20 N -2.73 2.10 -4.91 -2.05 7.64 -1.26 -1.51 113.62 110.89 1xqq n SER 20 Ca 0.02 -1.96 -0.28 0.00 1.01 0.00 0.00 58.87 57.65 1xqq n SER 20 Cb 0.33 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.08 6.43 0.46 6.43 1.01 -1.17 -4.86 116.67 123.88 1xqq s ASP 21 Ca 0.28 0.58 -0.00 0.00 0.71 0.00 0.00 52.55 54.11 1xqq s ASP 21 Cb 0.14 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.98 1xqq s ASP 21 CO 0.19 -0.12 0.69 0.42 0.21 0.00 0.00 175.17 176.56 1xqq s THR 22 N -1.97 4.02 0.26 -1.27 -4.23 -1.26 -0.59 115.64 110.60 1xqq s THR 22 Ca 0.42 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.46 1xqq s THR 22 Cb -0.11 -3.50 0.25 0.00 1.34 0.00 0.00 72.50 70.48 1xqq s THR 22 CO 0.29 -0.36 1.84 0.40 -0.54 0.00 0.00 174.62 176.25 1xqq h ILE 23 N 0.36 0.99 -1.00 2.99 1.08 -1.46 -2.14 117.51 118.32 1xqq h ILE 23 Ca -0.46 -0.34 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1xqq h ILE 23 Cb 1.25 -0.08 -0.08 0.00 -3.07 0.00 0.00 36.82 34.84 1xqq h ILE 23 CO 0.58 0.18 0.64 -0.08 -0.69 0.00 0.00 178.15 178.77 1xqq h GLU 24 N 0.99 1.00 -0.89 2.37 4.81 -1.60 -1.81 114.58 119.44 1xqq h GLU 24 Ca 0.43 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.66 1xqq h GLU 24 Cb 0.30 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1xqq h GLU 24 CO -0.21 0.66 0.58 -0.91 -0.73 0.00 0.00 179.01 178.39 1xqq h ASN 25 N 1.03 0.89 -0.18 1.04 -0.26 -1.70 -1.89 115.58 114.50 1xqq h ASN 25 Ca 0.49 0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 56.16 1xqq h ASN 25 Cb 0.44 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1xqq h ASN 25 CO -0.25 0.57 -0.17 0.58 -1.06 0.00 0.00 177.43 177.10 1xqq h VAL 26 N 1.01 1.34 -0.79 2.81 2.07 -1.26 -3.00 116.25 118.42 1xqq h VAL 26 Ca 0.38 -1.33 0.11 0.00 0.82 0.00 0.00 66.70 66.68 1xqq h VAL 26 Cb 0.20 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1xqq h VAL 26 CO -0.14 0.40 0.52 0.11 0.02 0.00 0.00 177.57 178.48 1xqq h LYS 27 N 0.08 0.65 -0.81 1.57 1.57 -1.54 -2.68 116.57 115.42 1xqq h LYS 27 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 27 Cb 0.71 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1xqq h LYS 27 CO 0.04 0.43 0.52 0.00 -0.57 0.00 0.00 179.45 179.87 1xqq h ALA 28 N 1.61 1.38 0.00 3.86 0.00 -1.19 -0.80 119.26 124.12 1xqq h ALA 28 Ca 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1xqq h ALA 28 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xqq h ALA 28 CO -0.14 0.55 -0.37 0.87 0.00 0.00 0.00 179.25 180.16 1xqq h LYS 29 N 1.11 0.00 0.07 0.00 1.79 -1.48 -1.55 116.57 116.51 1xqq h LYS 29 Ca 0.29 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.52 1xqq h LYS 29 Cb -0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1xqq h LYS 29 CO -0.06 0.37 -1.12 0.82 -1.08 0.00 0.00 179.45 178.39 1xqq h ILE 30 N 0.00 1.55 -0.87 1.86 2.04 -1.46 -2.50 117.51 118.13 1xqq h ILE 30 Ca -0.00 -3.06 -0.03 0.00 1.00 0.00 0.00 64.86 62.77 1xqq h ILE 30 Cb 1.10 2.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.97 1xqq h ILE 30 CO 0.05 0.89 0.44 -0.61 0.00 0.00 0.00 178.15 178.92 1xqq h GLN 31 N 0.07 1.24 -0.43 2.37 4.15 -1.13 0.10 115.11 121.48 1xqq h GLN 31 Ca -0.09 -0.17 -0.13 0.00 0.77 0.00 0.00 58.65 59.03 1xqq h GLN 31 Cb 1.84 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 29.29 1xqq h GLN 31 CO 0.17 0.93 -0.25 0.22 -1.93 0.00 0.00 178.83 177.97 1xqq h ASP 32 N 1.23 0.96 0.00 -0.69 3.58 -1.02 -2.70 116.42 117.79 1xqq h ASP 32 Ca 0.30 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1xqq h ASP 32 Cb 0.08 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 1xqq h ASP 32 CO -0.04 1.17 -0.13 0.11 -2.88 0.00 0.00 179.24 177.47 1xqq h LYS 33 N 0.76 0.00 0.06 0.28 1.57 -1.44 -3.43 116.57 114.37 1xqq h LYS 33 Ca 0.09 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.62 1xqq h LYS 33 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1xqq h LYS 33 CO 0.07 0.07 -1.34 0.93 -0.57 0.00 0.00 179.45 178.61 1xqq h GLU 34 N -1.00 0.12 -0.85 3.15 4.39 -0.94 -3.49 114.58 115.97 1xqq h GLU 34 Ca -0.01 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1xqq h GLU 34 Cb 0.18 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1xqq h GLU 34 CO -0.00 1.10 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 1xqq n GLY 35 N 1.64 0.72 3.61 -3.84 0.00 -1.02 -5.02 105.19 101.28 1xqq n GLY 35 Ca -0.28 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.34 5.29 0.89 -0.61 1.01 -1.26 -5.02 121.20 119.15 1xqq s ILE 36 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 1xqq s ILE 36 Cb 0.00 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 39.03 1xqq s ILE 36 CO 0.00 0.25 1.10 -2.84 0.00 0.00 0.00 174.94 173.45 1xqq s PRO 37 N 1.67 1.34 0.00 2.79 0.02 -1.26 -4.37 135.00 135.19 1xqq s PRO 37 Ca 0.09 0.66 0.26 0.00 0.02 0.00 0.00 61.00 62.04 1xqq s PRO 37 Cb -0.15 -1.83 0.68 0.00 0.02 0.00 0.00 34.50 33.22 1xqq s PRO 37 CO 0.09 -2.14 1.52 -0.35 -0.33 0.00 0.00 177.00 175.79 1xqq n PRO 38 N -3.79 0.66 0.05 5.54 -0.04 -1.26 -2.12 135.00 134.04 1xqq n PRO 38 Ca 0.07 -0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.07 1xqq n PRO 38 Cb 0.56 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.96 0.00 1.31 3.54 2.03 -2.00 -3.32 116.42 118.94 1xqq h ASP 39 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1xqq h ASP 39 Cb 0.51 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.99 1xqq h ASP 39 CO 0.00 0.95 -0.70 1.56 -1.03 0.00 0.00 179.24 180.02 1xqq h GLN 40 N 0.00 0.00 -6.17 4.15 4.20 -1.78 -3.44 115.11 112.07 1xqq h GLN 40 Ca -0.08 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.08 1xqq h GLN 40 Cb 1.80 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.53 1xqq h GLN 40 CO 0.11 0.62 0.25 -0.65 -0.67 0.00 0.00 178.83 178.49 1xqq s GLN 41 N -2.89 4.46 -0.07 1.46 -0.21 -0.93 -1.02 119.66 120.47 1xqq s GLN 41 Ca 0.03 1.12 0.03 0.00 0.02 0.00 0.00 55.36 56.55 1xqq s GLN 41 Cb 0.08 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.63 1xqq s GLN 41 CO 0.77 -0.05 -0.16 0.50 -2.12 0.00 0.00 175.29 174.23 1xqq s ARG 42 N 1.11 2.03 -0.07 2.91 3.52 -0.57 -4.90 118.95 122.98 1xqq s ARG 42 Ca 0.43 -0.56 -0.13 0.00 -0.13 0.00 0.00 55.73 55.34 1xqq s ARG 42 Cb -0.19 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.51 1xqq s ARG 42 CO 0.21 0.11 0.32 -0.51 -0.81 0.00 0.00 175.30 174.62 1xqq s LEU 43 N 0.45 4.40 -0.02 -0.88 1.43 -1.26 -0.31 118.68 122.50 1xqq s LEU 43 Ca -0.13 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1xqq s LEU 43 Cb -0.15 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1xqq s LEU 43 CO 0.05 0.30 -0.07 -0.63 0.23 0.00 0.00 176.35 176.23 1xqq s ILE 44 N -0.73 0.58 -0.42 -0.59 1.01 -0.13 -2.02 121.20 118.89 1xqq s ILE 44 Ca 0.20 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1xqq s ILE 44 Cb -0.15 -0.53 0.11 0.00 0.01 0.00 0.00 42.46 41.91 1xqq s ILE 44 CO 0.09 0.19 0.15 0.12 0.00 0.00 0.00 174.94 175.49 1xqq s PHE 45 N 0.20 3.35 0.00 3.97 5.36 -0.18 -0.89 117.98 129.80 1xqq s PHE 45 Ca -0.02 -3.01 0.00 0.00 -0.96 0.00 0.00 56.93 52.93 1xqq s PHE 45 Cb -0.07 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1xqq s PHE 45 CO -0.00 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 1xqq n ALA 46 N 3.73 0.00 -0.36 11.12 0.00 -1.26 -1.65 120.51 132.09 1xqq n ALA 46 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xqq n ALA 46 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.23 3.60 0.00 0.00 -1.26 -5.02 105.19 102.28 1xqq n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.09 3.78 0.35 1.61 1.02 -0.66 -5.02 119.74 120.74 1xqq s LYS 48 Ca 0.00 0.52 -0.27 0.00 0.02 0.00 0.00 55.97 56.24 1xqq s LYS 48 Cb 0.00 -3.83 -0.09 0.00 -0.52 0.00 0.00 37.83 33.39 1xqq s LYS 48 CO 0.00 -1.03 1.19 -0.65 -0.92 0.00 0.00 175.35 173.94 1xqq s GLN 49 N 3.62 4.27 -0.35 1.68 -0.21 -1.26 -1.00 119.66 126.41 1xqq s GLN 49 Ca 0.39 1.93 -0.08 0.00 0.02 0.00 0.00 55.36 57.62 1xqq s GLN 49 Cb -0.11 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 31.03 1xqq s GLN 49 CO 0.21 -0.16 0.14 -0.51 -2.12 0.00 0.00 175.29 172.85 1xqq s LEU 50 N -2.06 4.41 0.36 2.90 1.43 -0.86 -4.96 118.68 119.89 1xqq s LEU 50 Ca 0.52 -1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 1xqq s LEU 50 Cb -0.33 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 50 CO 0.43 -0.33 0.70 -1.61 0.23 0.00 0.00 176.35 175.77 1xqq s GLU 51 N 1.47 3.78 0.13 1.70 0.41 -1.26 -4.69 118.70 120.23 1xqq s GLU 51 Ca 0.00 0.38 -0.32 0.00 -0.41 0.00 0.00 54.97 54.63 1xqq s GLU 51 Cb -0.19 -2.47 -0.10 0.00 -1.78 0.00 0.00 34.13 29.59 1xqq s GLU 51 CO 0.04 0.07 1.56 -0.44 -0.49 0.00 0.00 175.26 176.00 1xqq h ASP 52 N 1.58 -1.60 -1.91 -0.19 5.19 -1.97 -3.18 116.42 114.33 1xqq h ASP 52 Ca -0.47 0.20 -0.71 0.00 -0.62 0.00 0.00 57.03 55.42 1xqq h ASP 52 Cb 1.18 0.64 -0.32 0.00 0.18 0.00 0.00 39.33 41.01 1xqq h ASP 52 CO 0.65 -0.46 0.45 0.61 -3.12 0.00 0.00 179.24 177.37 1xqq n GLY 53 N -1.43 5.74 3.30 2.75 0.00 -1.26 -1.62 105.19 112.67 1xqq n GLY 53 Ca -0.05 -2.59 -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 -3.92 1.21 0.46 1.61 0.52 -1.20 -4.99 118.95 112.63 1xqq s ARG 54 Ca 0.49 -1.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.17 1xqq s ARG 54 Cb 0.39 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1xqq s ARG 54 CO -0.30 0.16 0.75 0.95 0.02 0.00 0.00 175.30 176.88 1xqq s THR 55 N -2.86 4.93 0.50 0.02 -4.23 -1.26 -2.28 115.64 110.45 1xqq s THR 55 Ca 0.18 0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1xqq s THR 55 Cb -0.01 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 55 CO 0.05 -0.78 2.12 -0.07 -0.54 0.00 0.00 174.62 175.39 1xqq h LEU 56 N 0.40 0.04 -2.26 4.79 3.38 -0.88 -2.43 115.31 118.36 1xqq h LEU 56 Ca -0.47 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.20 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xqq h LEU 56 CO 0.62 0.06 -0.00 0.77 0.09 0.00 0.00 178.44 179.97 1xqq h SER 57 N 0.04 0.00 0.29 -0.43 4.64 -1.53 0.24 113.55 116.80 1xqq h SER 57 Ca 0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.00 1xqq h SER 57 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1xqq h SER 57 CO 0.00 0.00 -1.58 -0.78 -0.87 0.00 0.00 176.83 173.60 1xqq h ASP 58 N 0.00 0.67 1.94 4.97 3.58 -1.73 -3.29 116.42 122.56 1xqq h ASP 58 Ca -0.00 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.61 1xqq h ASP 58 Cb 0.25 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1xqq h ASP 58 CO 0.00 1.69 0.00 1.88 -2.88 0.00 0.00 179.24 179.93 1xqq h TYR 59 N 0.12 0.00 -3.39 0.28 0.05 -1.52 -3.49 116.97 109.02 1xqq h TYR 59 Ca -0.28 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.43 1xqq h TYR 59 Cb 2.11 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.90 1xqq h TYR 59 CO 0.11 0.00 -0.20 0.09 -1.05 0.00 0.00 178.16 177.11 1xqq n ASN 60 N -3.05 -2.81 -4.69 3.88 4.13 0.83 -5.04 115.26 108.50 1xqq n ASN 60 Ca 0.04 -0.16 -0.41 0.00 1.68 0.00 0.00 54.58 55.73 1xqq n ASN 60 Cb 0.52 -1.61 -0.04 0.00 -1.54 0.00 0.00 39.78 37.10 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 -3.09 4.97 0.38 2.41 -1.09 -1.10 -5.02 121.20 118.66 1xqq s ILE 61 Ca 0.08 1.52 0.08 0.00 -2.23 0.00 0.00 60.65 60.10 1xqq s ILE 61 Cb -0.01 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1xqq s ILE 61 CO 0.17 0.14 0.41 0.00 -1.23 0.00 0.00 174.94 174.44 1xqq s GLN 62 N 1.46 2.74 0.61 2.79 -2.07 -1.26 -4.86 119.66 119.06 1xqq s GLN 62 Ca 0.38 -1.33 -0.19 0.00 -1.82 0.00 0.00 55.36 52.40 1xqq s GLN 62 Cb -0.17 -2.55 -0.03 0.00 -1.09 0.00 0.00 33.01 29.17 1xqq s GLN 62 CO 0.16 -0.09 1.32 -1.59 -1.32 0.00 0.00 175.29 173.76 1xqq s LYS 63 N -4.15 2.78 -1.84 9.60 -2.85 -1.26 -3.25 119.74 118.77 1xqq s LYS 63 Ca 0.47 2.13 0.00 0.00 -1.00 0.00 0.00 55.97 57.57 1xqq s LYS 63 Cb -0.06 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1xqq s LYS 63 CO 0.29 -1.44 0.00 0.39 0.10 0.00 0.00 175.35 174.69 1xqq n GLU 64 N -1.57 -1.63 -2.63 1.78 1.02 -0.19 -4.99 120.64 112.43 1xqq n GLU 64 Ca 0.14 1.04 -0.34 0.00 -0.02 0.00 0.00 57.16 57.98 1xqq n GLU 64 Cb 0.47 -5.65 -0.05 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.17 6.57 -0.50 1.62 0.01 -1.20 -4.80 113.70 113.24 1xqq s SER 65 Ca 0.00 1.82 -0.16 0.00 1.31 0.00 0.00 55.95 58.92 1xqq s SER 65 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.76 1xqq s SER 65 CO 0.00 -0.62 0.47 -0.89 0.41 0.00 0.00 173.24 172.61 1xqq s THR 66 N -2.09 5.14 0.01 1.44 2.01 -1.26 -0.66 115.64 120.23 1xqq s THR 66 Ca 0.65 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1xqq s THR 66 Cb -0.13 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1xqq s THR 66 CO 0.18 -0.70 0.72 -0.76 -0.69 0.00 0.00 174.62 173.37 1xqq s LEU 67 N 1.88 4.42 0.00 4.42 1.43 0.07 -4.72 118.68 126.17 1xqq s LEU 67 Ca 0.06 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1xqq s LEU 67 Cb -0.24 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1xqq s LEU 67 CO 0.07 0.01 0.04 -1.38 0.23 0.00 0.00 176.35 175.32 1xqq s HIS 68 N 0.08 3.18 -0.20 0.29 -3.43 -0.07 -1.38 115.29 113.76 1xqq s HIS 68 Ca 0.37 0.14 -0.07 0.00 -0.80 0.00 0.00 55.06 54.69 1xqq s HIS 68 Cb -0.20 -1.70 -0.04 0.00 -1.43 0.00 0.00 32.58 29.22 1xqq s HIS 68 CO 0.21 0.51 0.06 -1.17 -2.00 0.00 0.00 174.74 172.35 1xqq s LEU 69 N -1.69 3.71 0.16 5.38 2.96 -0.93 -0.96 118.68 127.32 1xqq s LEU 69 Ca 0.22 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1xqq s LEU 69 Cb -0.12 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1xqq s LEU 69 CO 0.12 0.12 0.01 0.68 -1.32 0.00 0.00 176.35 175.96 1xqq s VAL 70 N 0.68 0.58 0.12 1.68 -7.23 0.58 -4.22 120.40 112.59 1xqq s VAL 70 Ca 0.03 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1xqq s VAL 70 Cb -0.13 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.66 1xqq s VAL 70 CO 0.02 -0.50 0.57 -0.22 -0.31 0.00 0.00 175.10 174.65 1xqq s LEU 71 N -3.14 4.41 0.23 1.32 2.96 -1.26 -1.52 118.68 121.68 1xqq s LEU 71 Ca 0.23 1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 55.01 1xqq s LEU 71 Cb 0.06 -3.13 -0.09 0.00 0.50 0.00 0.00 46.19 43.53 1xqq s LEU 71 CO 0.03 0.17 1.25 -0.60 -1.32 0.00 0.00 176.35 175.88 1xqq s ARG 72 N -1.61 4.44 -0.01 1.98 3.52 -0.19 -4.88 118.95 122.20 1xqq s ARG 72 Ca 0.34 2.00 -0.25 0.00 -0.13 0.00 0.00 55.73 57.69 1xqq s ARG 72 Cb -0.17 -3.19 -0.19 0.00 -1.56 0.00 0.00 34.95 29.85 1xqq s ARG 72 CO 0.19 -0.14 1.28 -0.07 -0.81 0.00 0.00 175.30 175.75 1xqq h LEU 73 N 4.83 -0.08-10.46 -0.88 3.38 -1.96 -3.44 115.31 106.70 1xqq h LEU 73 Ca -0.46 -0.37 -0.49 0.00 0.09 0.00 0.00 57.88 56.65 1xqq h LEU 73 Cb 1.22 0.02 0.07 0.00 0.09 0.00 0.00 40.66 42.06 1xqq h LEU 73 CO 0.73 0.34 0.39 0.00 0.09 0.00 0.00 178.44 179.99 1xqq s ARG 74 N -4.46 2.94 -0.39 1.13 1.70 -1.26 -5.06 118.95 113.55 1xqq s ARG 74 Ca -0.15 0.44 0.10 0.00 -0.47 0.00 0.00 55.73 55.65 1xqq s ARG 74 Cb 0.02 -2.06 0.31 0.00 -0.57 0.00 0.00 34.95 32.66 1xqq s ARG 74 CO 0.63 -0.95 0.66 0.41 -1.08 0.00 0.00 175.30 174.97 1xqq n GLY 75 N -2.93 3.42 0.00 3.88 0.00 -1.26 -5.04 105.19 103.26 1xqq n GLY 75 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93