#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 4.05 0.40 3.17 -0.21 -1.26 -0.40 119.66 125.41 1xqq s GLN 2 Ca 0.00 -0.30 0.07 0.00 0.02 0.00 0.00 55.36 55.16 1xqq s GLN 2 Cb 0.00 -3.34 -0.07 0.00 1.00 0.00 0.00 33.01 30.60 1xqq s GLN 2 CO 0.00 0.23 0.04 0.96 -2.12 0.00 0.00 175.29 174.40 1xqq s ILE 3 N 0.53 2.12 -0.04 1.08 -4.36 0.04 -1.26 121.20 119.32 1xqq s ILE 3 Ca 0.05 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1xqq s ILE 3 Cb -0.12 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.64 1xqq s ILE 3 CO 0.00 -0.03 -0.07 -0.36 0.24 0.00 0.00 174.94 174.73 1xqq s PHE 4 N -2.67 0.92 -0.31 1.37 0.08 -0.71 -0.83 117.98 115.82 1xqq s PHE 4 Ca 0.36 -0.27 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 1xqq s PHE 4 Cb 0.07 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1xqq s PHE 4 CO 0.19 -0.18 0.13 0.08 -0.10 0.00 0.00 175.22 175.34 1xqq s VAL 5 N 0.65 4.33 0.29 -0.44 1.01 0.01 -0.33 120.40 125.92 1xqq s VAL 5 Ca -0.10 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1xqq s VAL 5 Cb -0.13 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1xqq s VAL 5 CO 0.01 0.03 0.95 -0.54 0.00 0.00 0.00 175.10 175.55 1xqq s LYS 6 N 1.56 4.69 0.50 2.72 1.02 0.02 -1.47 119.74 128.77 1xqq s LYS 6 Ca 0.03 1.42 0.01 0.00 0.02 0.00 0.00 55.97 57.45 1xqq s LYS 6 Cb -0.17 -3.01 0.10 0.00 -0.52 0.00 0.00 37.83 34.22 1xqq s LYS 6 CO 0.05 0.37 0.68 0.25 -0.92 0.00 0.00 175.35 175.78 1xqq n THR 7 N 0.96 0.00 0.06 2.17 -2.24 -1.18 -0.26 114.28 113.79 1xqq n THR 7 Ca 0.00 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1xqq n THR 7 Cb 0.49 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 0.00 0.29 3.22 3.38 -1.95 -3.24 115.31 117.01 1xqq h LEU 8 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xqq h LEU 8 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xqq h LEU 8 CO 0.25 0.59 -0.14 0.71 0.09 0.00 0.00 178.44 179.95 1xqq h THR 9 N 0.00 0.63 0.00 0.22 1.35 -1.96 -3.49 112.91 109.66 1xqq h THR 9 Ca -0.11 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1xqq h THR 9 Cb 1.55 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1xqq h THR 9 CO 0.06 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xqq n GLY 10 N 0.10 0.33 3.87 5.82 0.00 -1.22 -5.15 105.19 108.93 1xqq n GLY 10 Ca -0.09 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 3.26 -0.31 1.61 -2.85 -1.26 -4.83 119.74 115.36 1xqq s LYS 11 Ca 0.00 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 1xqq s LYS 11 Cb 0.00 -2.95 -0.00 0.00 -2.06 0.00 0.00 37.83 32.82 1xqq s LYS 11 CO 0.00 0.61 1.37 0.99 0.10 0.00 0.00 175.35 178.41 1xqq s THR 12 N -1.44 4.03 -0.23 3.79 2.01 -1.26 -3.08 115.64 119.46 1xqq s THR 12 Ca 0.32 1.15 -0.14 0.00 0.31 0.00 0.00 61.69 63.33 1xqq s THR 12 Cb -0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1xqq s THR 12 CO 0.24 -0.51 0.32 -0.63 -0.69 0.00 0.00 174.62 173.35 1xqq s ILE 13 N 4.70 5.24 -0.22 1.82 1.01 -0.54 -4.99 121.20 128.22 1xqq s ILE 13 Ca 0.59 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 1xqq s ILE 13 Cb -0.17 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1xqq s ILE 13 CO 0.26 0.25 -0.02 -0.89 0.00 0.00 0.00 174.94 174.54 1xqq s THR 14 N 1.45 3.61 0.06 2.92 2.01 -1.26 -0.81 115.64 123.62 1xqq s THR 14 Ca 0.14 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1xqq s THR 14 Cb -0.15 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1xqq s THR 14 CO 0.08 0.41 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.50 1xqq s LEU 15 N 1.38 2.75 -0.37 4.42 1.43 -0.01 -4.99 118.68 123.30 1xqq s LEU 15 Ca 0.05 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1xqq s LEU 15 Cb -0.14 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.56 1xqq s LEU 15 CO -0.01 0.24 0.13 -1.61 0.23 0.00 0.00 176.35 175.33 1xqq s GLU 16 N -1.66 2.17 0.33 1.70 2.02 -1.26 -0.78 118.70 121.22 1xqq s GLU 16 Ca 0.16 -1.61 0.04 0.00 0.02 0.00 0.00 54.97 53.59 1xqq s GLU 16 Cb -0.11 -3.45 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 1xqq s GLU 16 CO 0.07 -0.91 0.04 0.14 0.02 0.00 0.00 175.26 174.63 1xqq s VAL 17 N 1.19 1.30 0.25 2.63 -7.23 0.47 -4.95 120.40 114.06 1xqq s VAL 17 Ca 0.04 -2.01 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1xqq s VAL 17 Cb -0.22 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1xqq s VAL 17 CO -0.03 -0.04 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.05 1xqq s GLU 18 N -3.86 2.12 0.00 4.82 0.41 -1.26 -0.32 118.70 120.61 1xqq s GLU 18 Ca 0.36 -1.45 0.26 0.00 -0.41 0.00 0.00 54.97 53.72 1xqq s GLU 18 Cb 0.08 -2.08 0.69 0.00 -1.78 0.00 0.00 34.13 31.04 1xqq s GLU 18 CO 0.15 0.37 1.52 -0.35 -0.49 0.00 0.00 175.26 176.47 1xqq n PRO 19 N -0.62 0.90 0.03 0.39 -0.04 -1.26 -2.06 135.00 132.34 1xqq n PRO 19 Ca -0.07 -0.56 0.10 0.00 -0.04 0.00 0.00 63.50 62.93 1xqq n PRO 19 Cb 0.58 -1.49 0.41 0.00 -0.04 0.00 0.00 33.50 32.97 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -0.56 0.20 -4.89 3.54 7.64 -1.26 -1.67 113.62 116.62 1xqq n SER 20 Ca 0.12 0.54 -0.29 0.00 1.01 0.00 0.00 58.87 60.25 1xqq n SER 20 Cb 0.36 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -3.37 6.27 0.24 6.43 1.01 -0.88 -4.82 116.67 121.56 1xqq s ASP 21 Ca 0.08 1.15 -0.01 0.00 0.71 0.00 0.00 52.55 54.47 1xqq s ASP 21 Cb 0.11 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1xqq s ASP 21 CO 0.37 -0.68 0.45 0.42 0.21 0.00 0.00 175.17 175.93 1xqq s THR 22 N -2.89 5.15 0.30 -1.27 -4.23 -1.26 -2.06 115.64 109.38 1xqq s THR 22 Ca 0.51 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 1xqq s THR 22 Cb -0.11 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.01 1xqq s THR 22 CO 0.47 -0.26 1.70 0.40 -0.54 0.00 0.00 174.62 176.40 1xqq h ILE 23 N 1.38 1.32 -0.98 2.99 1.08 -1.14 -1.05 117.51 121.12 1xqq h ILE 23 Ca -0.48 -1.57 0.17 0.00 -0.39 0.00 0.00 64.86 62.59 1xqq h ILE 23 Cb 1.20 1.75 -0.09 0.00 -3.07 0.00 0.00 36.82 36.61 1xqq h ILE 23 CO 0.66 0.46 0.61 -0.08 -0.69 0.00 0.00 178.15 179.12 1xqq h GLU 24 N 0.14 0.73 -0.01 2.37 4.81 -1.48 0.63 114.58 121.77 1xqq h GLU 24 Ca 0.01 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 1xqq h GLU 24 Cb 0.84 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1xqq h GLU 24 CO 0.06 0.48 -0.84 -0.97 -0.73 0.00 0.00 179.01 177.02 1xqq h ASN 25 N 0.75 0.28 -0.16 1.04 -0.73 -1.61 -1.05 115.58 114.10 1xqq h ASN 25 Ca 0.53 -0.22 -0.19 0.00 1.87 0.00 0.00 56.30 58.30 1xqq h ASN 25 Cb 0.84 -0.09 0.01 0.00 0.27 0.00 0.00 38.32 39.35 1xqq h ASN 25 CO -0.31 1.00 -0.62 0.58 -0.37 0.00 0.00 177.43 177.71 1xqq h VAL 26 N 0.13 1.31 0.00 2.57 2.07 0.11 -2.82 116.25 119.61 1xqq h VAL 26 Ca -0.04 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.60 1xqq h VAL 26 Cb 1.45 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1xqq h VAL 26 CO 0.13 0.58 -0.13 0.11 0.02 0.00 0.00 177.57 178.28 1xqq h LYS 27 N 0.41 0.00 -0.04 1.57 1.57 0.13 -2.90 116.57 117.29 1xqq h LYS 27 Ca -0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 27 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1xqq h LYS 27 CO 0.13 0.13 -0.65 0.00 -0.57 0.00 0.00 179.45 178.48 1xqq h ALA 28 N 1.87 0.82 -0.97 3.86 0.00 -1.00 -1.22 119.26 122.62 1xqq h ALA 28 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1xqq h ALA 28 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xqq h ALA 28 CO 0.02 0.77 0.64 0.87 0.00 0.00 0.00 179.25 181.55 1xqq h LYS 29 N 0.13 1.23 -0.77 0.00 1.57 -1.44 -0.63 116.57 116.66 1xqq h LYS 29 Ca -0.01 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1xqq h LYS 29 Cb 1.17 -0.28 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1xqq h LYS 29 CO 0.10 0.81 0.40 0.82 -0.57 0.00 0.00 179.45 181.02 1xqq h ILE 30 N 1.27 0.84 -0.43 1.86 2.04 -1.19 -1.55 117.51 120.34 1xqq h ILE 30 Ca 0.37 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 1xqq h ILE 30 Cb -0.07 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1xqq h ILE 30 CO -0.10 0.12 -0.05 -0.61 0.00 0.00 0.00 178.15 177.51 1xqq h GLN 31 N 0.66 0.79 0.89 2.37 4.15 -1.00 -1.58 115.11 121.39 1xqq h GLN 31 Ca 0.39 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1xqq h GLN 31 Cb 0.43 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1xqq h GLN 31 CO -0.28 0.89 -0.43 0.22 -1.93 0.00 0.00 178.83 177.30 1xqq h ASP 32 N 0.63 -1.01 0.00 -0.69 3.58 -0.92 -2.76 116.42 115.24 1xqq h ASP 32 Ca 0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1xqq h ASP 32 Cb 0.56 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1xqq h ASP 32 CO 0.03 -0.68 0.00 0.29 -2.88 0.00 0.00 179.24 176.00 1xqq n LYS 33 N -5.58 0.00 0.02 0.28 5.02 -0.60 -4.28 118.16 113.02 1xqq n LYS 33 Ca -0.15 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1xqq n LYS 33 Cb 0.47 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.00 0.38 -0.07 1.97 4.39 -1.48 -3.49 114.58 116.28 1xqq h GLU 34 Ca 0.00 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1xqq h GLU 34 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xqq h GLU 34 CO 0.00 1.15 0.00 0.41 -1.16 0.00 0.00 179.01 179.41 1xqq n GLY 35 N 1.27 0.85 3.31 -3.84 0.00 -1.04 -5.04 105.19 100.70 1xqq n GLY 35 Ca -0.12 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.77 3.49 0.66 -0.61 1.01 -1.25 -5.00 121.20 117.73 1xqq s ILE 36 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1xqq s ILE 36 Cb 0.00 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1xqq s ILE 36 CO 0.00 0.29 1.05 -2.16 0.00 0.00 0.00 174.94 174.12 1xqq s PRO 37 N 1.46 3.26 0.00 2.79 0.04 -1.26 -3.94 135.00 137.35 1xqq s PRO 37 Ca 0.04 0.83 0.29 0.00 0.04 0.00 0.00 61.00 62.20 1xqq s PRO 37 Cb -0.15 -2.04 1.21 0.00 0.04 0.00 0.00 34.50 33.56 1xqq s PRO 37 CO -0.02 -0.84 1.84 -0.35 0.04 0.00 0.00 177.00 177.68 1xqq n PRO 38 N -2.94 1.12 0.00 0.56 -0.04 -1.26 -0.57 135.00 131.87 1xqq n PRO 38 Ca 0.07 -0.49 0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1xqq n PRO 38 Cb 0.54 -1.49 0.54 0.00 -0.04 0.00 0.00 33.50 33.05 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xqq n ASP 39 N -0.51 1.15 -0.10 3.54 8.00 -1.26 -4.16 116.55 123.21 1xqq n ASP 39 Ca 0.17 -1.22 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 1xqq n ASP 39 Cb 0.29 0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.26 1xqq n ASP 39 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1xqq n GLN 40 N -0.23 0.68 -4.15 -1.24 -0.06 0.27 -4.95 117.38 107.69 1xqq n GLN 40 Ca 0.17 0.03 -0.28 0.00 -2.00 0.00 0.00 57.00 54.92 1xqq n GLN 40 Cb 0.32 -1.54 -0.08 0.00 -4.06 0.00 0.00 30.24 24.89 1xqq n GLN 40 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1xqq s GLN 41 N -2.50 2.53 0.04 3.69 -2.07 -1.09 -1.92 119.66 118.34 1xqq s GLN 41 Ca -0.12 -0.95 -0.12 0.00 -1.82 0.00 0.00 55.36 52.35 1xqq s GLN 41 Cb 0.06 -2.48 0.01 0.00 -1.09 0.00 0.00 33.01 29.52 1xqq s GLN 41 CO 0.81 0.50 0.26 1.03 -1.32 0.00 0.00 175.29 176.56 1xqq s ARG 42 N -2.67 0.74 0.11 9.60 0.52 -0.65 -4.80 118.95 121.81 1xqq s ARG 42 Ca 0.27 -0.52 0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1xqq s ARG 42 Cb -0.11 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 1xqq s ARG 42 CO 0.19 -0.22 -0.25 -0.51 0.02 0.00 0.00 175.30 174.52 1xqq s LEU 43 N -1.98 2.36 -0.03 2.53 1.43 -1.26 -1.68 118.68 120.04 1xqq s LEU 43 Ca -0.06 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1xqq s LEU 43 Cb -0.02 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 1xqq s LEU 43 CO -0.03 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 175.96 1xqq s ILE 44 N -1.03 1.32 -0.32 -0.59 1.01 -0.49 -1.29 121.20 119.81 1xqq s ILE 44 Ca 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1xqq s ILE 44 Cb -0.10 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.30 1xqq s ILE 44 CO 0.06 0.38 0.04 0.12 0.00 0.00 0.00 174.94 175.54 1xqq s PHE 45 N -0.06 3.34 0.00 3.97 5.36 -0.67 -0.03 117.98 129.89 1xqq s PHE 45 Ca -0.01 -1.99 0.00 0.00 -0.96 0.00 0.00 56.93 53.97 1xqq s PHE 45 Cb -0.10 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.25 1xqq s PHE 45 CO 0.01 -0.83 0.00 0.00 -1.46 0.00 0.00 175.22 172.94 1xqq n ALA 46 N 4.61 0.00 -0.15 11.12 0.00 -1.26 -1.97 120.51 132.86 1xqq n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.34 3.73 0.00 0.00 -1.26 -5.07 105.19 102.93 1xqq n GLY 47 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.39 -0.24 1.61 1.02 -0.83 -5.05 119.74 120.64 1xqq s LYS 48 Ca 0.00 0.77 -0.21 0.00 0.02 0.00 0.00 55.97 56.54 1xqq s LYS 48 Cb 0.00 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1xqq s LYS 48 CO 0.00 0.16 0.67 -1.14 -0.92 0.00 0.00 175.35 174.12 1xqq s GLN 49 N 0.51 4.15 0.29 1.68 0.74 -1.26 -1.67 119.66 124.10 1xqq s GLN 49 Ca 0.34 0.64 -0.22 0.00 0.05 0.00 0.00 55.36 56.17 1xqq s GLN 49 Cb -0.17 -3.63 -0.09 0.00 1.10 0.00 0.00 33.01 30.21 1xqq s GLN 49 CO 0.16 -0.39 0.84 -0.51 -0.55 0.00 0.00 175.29 174.84 1xqq s LEU 50 N 2.42 4.30 -0.07 3.68 1.43 -0.41 -5.00 118.68 125.03 1xqq s LEU 50 Ca 0.29 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 55.01 1xqq s LEU 50 Cb -0.16 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1xqq s LEU 50 CO 0.09 -0.05 -0.07 -1.61 0.23 0.00 0.00 176.35 174.94 1xqq s GLU 51 N -2.13 2.81 0.08 1.70 2.02 -1.26 -4.73 118.70 117.20 1xqq s GLU 51 Ca 0.48 -0.55 -0.14 0.00 0.02 0.00 0.00 54.97 54.77 1xqq s GLU 51 Cb -0.17 -2.60 -0.16 0.00 0.10 0.00 0.00 34.13 31.30 1xqq s GLU 51 CO 0.22 0.63 1.29 -0.44 0.02 0.00 0.00 175.26 176.97 1xqq h ASP 52 N 5.37 0.85 -0.46 -0.19 5.19 -1.97 -3.07 116.42 122.14 1xqq h ASP 52 Ca -0.47 -0.62 -0.25 0.00 -0.62 0.00 0.00 57.03 55.07 1xqq h ASP 52 Cb 1.17 -0.25 -0.14 0.00 0.18 0.00 0.00 39.33 40.30 1xqq h ASP 52 CO 0.53 1.33 0.32 0.61 -3.12 0.00 0.00 179.24 178.91 1xqq n GLY 53 N 0.67 3.30 2.11 2.75 0.00 -1.26 -1.43 105.19 111.33 1xqq n GLY 53 Ca -0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1xqq n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq n ARG 54 N -0.14 0.96 -4.17 1.61 5.12 -1.16 -4.99 116.66 113.89 1xqq n ARG 54 Ca 0.28 -1.84 -0.28 0.00 -1.93 0.00 0.00 57.85 54.08 1xqq n ARG 54 Cb 0.96 0.09 -0.03 0.00 -1.16 0.00 0.00 32.46 32.32 1xqq n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xqq s THR 55 N -1.33 1.59 -0.24 0.55 -4.23 -1.26 -1.41 115.64 109.31 1xqq s THR 55 Ca 0.22 -1.66 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1xqq s THR 55 Cb -0.02 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.78 1xqq s THR 55 CO 0.14 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 175.72 1xqq h LEU 56 N 1.01 0.00 -0.62 4.79 3.38 -1.46 -3.29 115.31 119.12 1xqq h LEU 56 Ca -0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 56 CO 0.64 0.25 -0.42 -1.28 0.09 0.00 0.00 178.44 177.72 1xqq h SER 57 N 0.00 0.00 0.23 -0.43 0.87 -1.61 -1.51 113.55 111.10 1xqq h SER 57 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1xqq h SER 57 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1xqq h SER 57 CO 0.03 0.42 -0.11 0.44 -0.53 0.00 0.00 176.83 177.08 1xqq h ASP 58 N 0.00 -0.27 1.58 6.23 3.32 -1.87 -3.27 116.42 122.14 1xqq h ASP 58 Ca -0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1xqq h ASP 58 Cb 1.07 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xqq h ASP 58 CO 0.05 0.13 -0.13 1.88 -1.72 0.00 0.00 179.24 179.45 1xqq h TYR 59 N -0.71 0.00 -2.37 4.55 0.05 -1.70 -3.47 116.97 113.32 1xqq h TYR 59 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1xqq h TYR 59 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1xqq h TYR 59 CO 0.04 0.00 0.00 -1.71 -1.05 0.00 0.00 178.16 175.44 1xqq n ASN 60 N -2.59 -1.85 -4.43 3.88 5.15 -1.21 -5.03 115.26 109.17 1xqq n ASN 60 Ca 0.04 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.59 1xqq n ASN 60 Cb 0.48 -0.46 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -2.89 4.56 0.71 -1.44 1.01 -0.57 -5.04 121.20 117.54 1xqq s ILE 61 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1xqq s ILE 61 Cb 0.00 -4.55 0.11 0.00 0.01 0.00 0.00 42.46 38.03 1xqq s ILE 61 CO 0.00 -1.23 0.98 0.00 0.00 0.00 0.00 174.94 174.69 1xqq s GLN 62 N 3.41 1.79 0.49 2.79 -2.07 -1.26 -4.74 119.66 120.08 1xqq s GLN 62 Ca 0.19 -0.96 -0.21 0.00 -1.82 0.00 0.00 55.36 52.55 1xqq s GLN 62 Cb -0.19 -2.32 -0.07 0.00 -1.09 0.00 0.00 33.01 29.34 1xqq s GLN 62 CO 0.10 -1.37 1.13 -1.59 -1.32 0.00 0.00 175.29 172.24 1xqq s LYS 63 N -5.13 3.64 -1.19 9.60 -2.85 -1.26 -3.73 119.74 118.82 1xqq s LYS 63 Ca 0.65 1.65 -0.04 0.00 -1.00 0.00 0.00 55.97 57.23 1xqq s LYS 63 Cb -0.06 -2.23 0.03 0.00 -2.06 0.00 0.00 37.83 33.50 1xqq s LYS 63 CO 0.44 -0.62 0.25 0.39 0.10 0.00 0.00 175.35 175.91 1xqq n GLU 64 N -0.81 -2.95 -3.52 1.78 1.02 -0.38 -4.99 120.64 110.79 1xqq n GLU 64 Ca 0.09 0.58 -0.20 0.00 -0.02 0.00 0.00 57.16 57.61 1xqq n GLU 64 Cb 0.50 -5.24 -0.02 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.36 5.58 -0.10 1.62 0.15 -1.24 -4.91 113.70 112.43 1xqq s SER 65 Ca 0.18 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1xqq s SER 65 Cb -0.09 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1xqq s SER 65 CO 0.23 -0.49 -0.17 -0.89 1.20 0.00 0.00 173.24 173.12 1xqq s THR 66 N -2.28 2.73 0.09 6.45 2.01 -1.26 -1.75 115.64 121.64 1xqq s THR 66 Ca 0.46 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1xqq s THR 66 Cb -0.08 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1xqq s THR 66 CO 0.29 0.55 -0.02 -0.76 -0.69 0.00 0.00 174.62 174.00 1xqq s LEU 67 N 0.07 3.40 -0.31 4.42 1.02 0.56 -4.70 118.68 123.13 1xqq s LEU 67 Ca -0.07 -0.21 -0.09 0.00 0.02 0.00 0.00 54.13 53.78 1xqq s LEU 67 Cb -0.15 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1xqq s LEU 67 CO 0.05 0.17 0.14 -1.00 0.02 0.00 0.00 176.35 175.73 1xqq s HIS 68 N -1.30 3.18 0.04 0.29 3.76 0.96 -0.80 115.29 121.41 1xqq s HIS 68 Ca 0.25 -0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 1xqq s HIS 68 Cb -0.12 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 1xqq s HIS 68 CO 0.18 -0.51 1.04 -1.17 -0.85 0.00 0.00 174.74 173.43 1xqq s LEU 69 N 1.57 4.39 0.30 0.89 2.96 0.64 -1.40 118.68 128.03 1xqq s LEU 69 Ca 0.04 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 55.79 1xqq s LEU 69 Cb -0.17 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.88 1xqq s LEU 69 CO 0.05 -0.29 0.00 0.68 -1.32 0.00 0.00 176.35 175.47 1xqq s VAL 70 N 0.85 1.37 0.48 1.68 -7.23 -0.68 -4.24 120.40 112.63 1xqq s VAL 70 Ca 0.53 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1xqq s VAL 70 Cb -0.24 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1xqq s VAL 70 CO 0.29 -0.16 0.05 -0.76 -0.31 0.00 0.00 175.10 174.21 1xqq s LEU 71 N -3.45 2.17 0.01 1.32 1.02 -1.26 -1.63 118.68 116.86 1xqq s LEU 71 Ca 0.33 -1.68 -0.04 0.00 0.02 0.00 0.00 54.13 52.76 1xqq s LEU 71 Cb 0.07 -0.50 -0.01 0.00 0.02 0.00 0.00 46.19 45.76 1xqq s LEU 71 CO 0.13 -0.90 -0.07 0.54 0.02 0.00 0.00 176.35 176.07 1xqq n ARG 72 N -1.16 0.10 0.00 1.70 1.74 -0.81 -4.88 116.66 113.36 1xqq n ARG 72 Ca -0.15 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1xqq n ARG 72 Cb 0.66 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 1xqq n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xqq n LEU 73 N -3.38 0.03 -4.87 0.55 4.77 -1.26 -5.06 117.00 107.79 1xqq n LEU 73 Ca -0.03 0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 1xqq n LEU 73 Cb 0.10 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1xqq n LEU 73 CO 0.04 -0.51 0.28 -0.13 -1.33 0.00 0.00 177.39 175.74 1xqq s ARG 74 N -1.03 3.87 -0.16 3.23 0.52 -1.26 -4.99 118.95 119.14 1xqq s ARG 74 Ca 0.00 0.40 0.18 0.00 -0.52 0.00 0.00 55.73 55.79 1xqq s ARG 74 Cb 0.00 -2.58 -0.25 0.00 0.52 0.00 0.00 34.95 32.63 1xqq s ARG 74 CO 0.00 0.27 0.20 0.41 0.02 0.00 0.00 175.30 176.20 1xqq n GLY 75 N -0.19 -1.01 0.00 -3.53 0.00 -1.26 -4.98 105.19 94.22 1xqq n GLY 75 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93