#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 3.75 0.25 3.17 -0.21 -1.26 -0.32 119.66 125.04 1xqq s GLN 2 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.58 1xqq s GLN 2 Cb 0.00 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.84 1xqq s GLN 2 CO 0.00 0.65 0.06 0.96 -2.12 0.00 0.00 175.29 174.85 1xqq s ILE 3 N -1.22 0.71 0.25 1.08 -4.36 -0.72 -1.53 121.20 115.41 1xqq s ILE 3 Ca 0.26 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.76 1xqq s ILE 3 Cb -0.15 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 1xqq s ILE 3 CO 0.14 -0.11 -0.17 -0.36 0.24 0.00 0.00 174.94 174.68 1xqq s PHE 4 N -3.64 2.39 -0.14 1.37 0.08 -1.06 -0.63 117.98 116.34 1xqq s PHE 4 Ca 0.34 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.09 1xqq s PHE 4 Cb 0.07 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1xqq s PHE 4 CO 0.12 0.63 -0.15 0.08 -0.10 0.00 0.00 175.22 175.80 1xqq s VAL 5 N -2.20 1.58 -0.19 -0.44 1.01 -0.23 -0.97 120.40 118.96 1xqq s VAL 5 Ca 0.27 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1xqq s VAL 5 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1xqq s VAL 5 CO 0.15 0.46 0.02 -0.75 0.00 0.00 0.00 175.10 174.98 1xqq s LYS 6 N 1.36 3.78 0.57 2.72 2.20 -0.69 -0.16 119.74 129.52 1xqq s LYS 6 Ca 0.02 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1xqq s LYS 6 Cb -0.13 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1xqq s LYS 6 CO -0.09 0.15 0.84 0.95 -0.36 0.00 0.00 175.35 176.85 1xqq s THR 7 N 0.66 3.39 0.10 3.43 -4.23 0.50 -1.86 115.64 117.62 1xqq s THR 7 Ca 0.01 -0.26 -0.17 0.00 -1.18 0.00 0.00 61.69 60.09 1xqq s THR 7 Cb -0.14 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.31 1xqq s THR 7 CO 0.02 -0.30 1.55 -0.07 -0.54 0.00 0.00 174.62 175.28 1xqq h LEU 8 N -0.06 0.50 -1.59 4.79 3.38 -1.89 -3.25 115.31 117.18 1xqq h LEU 8 Ca -0.45 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 1xqq h LEU 8 Cb 1.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xqq h LEU 8 CO 0.59 0.67 -0.21 0.71 0.09 0.00 0.00 178.44 180.29 1xqq h THR 9 N 0.31 1.12 0.00 0.22 1.35 -1.95 -3.46 112.91 110.50 1xqq h THR 9 Ca 0.08 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1xqq h THR 9 Cb 0.41 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1xqq h THR 9 CO 0.01 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1xqq n GLY 10 N -0.91 2.00 3.76 5.82 0.00 -1.23 -5.12 105.19 109.51 1xqq n GLY 10 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N -0.08 4.20 -0.29 1.61 1.02 -1.26 -4.90 119.74 120.05 1xqq s LYS 11 Ca 0.00 0.41 -0.11 0.00 0.02 0.00 0.00 55.97 56.29 1xqq s LYS 11 Cb 0.00 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1xqq s LYS 11 CO 0.00 0.35 0.19 0.99 -0.92 0.00 0.00 175.35 175.96 1xqq s THR 12 N 0.02 5.20 -0.26 2.17 2.01 -1.26 -0.37 115.64 123.15 1xqq s THR 12 Ca 0.24 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 1xqq s THR 12 Cb -0.16 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1xqq s THR 12 CO 0.11 0.20 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.59 1xqq s ILE 13 N 1.74 3.17 -0.14 1.82 1.01 0.78 -4.96 121.20 124.62 1xqq s ILE 13 Ca 0.07 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 1xqq s ILE 13 Cb -0.16 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1xqq s ILE 13 CO 0.10 0.19 0.85 -0.89 0.00 0.00 0.00 174.94 175.19 1xqq s THR 14 N 1.38 4.88 -0.01 2.92 2.01 -1.26 -1.07 115.64 124.49 1xqq s THR 14 Ca 0.01 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 63.70 1xqq s THR 14 Cb -0.17 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1xqq s THR 14 CO -0.03 0.05 0.08 -0.76 -0.69 0.00 0.00 174.62 173.28 1xqq s LEU 15 N 1.95 3.92 -0.17 4.42 2.01 0.20 -4.98 118.68 126.02 1xqq s LEU 15 Ca 0.40 0.17 -0.11 0.00 0.01 0.00 0.00 54.13 54.60 1xqq s LEU 15 Cb -0.17 -2.26 -0.05 0.00 0.01 0.00 0.00 46.19 43.72 1xqq s LEU 15 CO 0.14 0.28 0.18 -1.61 1.01 0.00 0.00 176.35 176.35 1xqq s GLU 16 N -1.68 4.09 0.26 1.70 2.02 -1.26 -1.76 118.70 122.07 1xqq s GLU 16 Ca 0.22 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.12 1xqq s GLU 16 Cb -0.12 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1xqq s GLU 16 CO 0.13 0.36 0.14 0.14 0.02 0.00 0.00 175.26 176.06 1xqq s VAL 17 N 0.15 0.26 0.43 2.63 -7.23 0.57 -4.96 120.40 112.25 1xqq s VAL 17 Ca 0.12 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.12 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 1xqq s VAL 17 CO 0.01 0.00 0.05 -1.61 -0.31 0.00 0.00 175.10 173.24 1xqq s GLU 18 N -3.97 2.06 0.52 4.82 0.41 -1.26 -0.03 118.70 121.24 1xqq s GLU 18 Ca 0.38 -2.11 0.23 0.00 -0.41 0.00 0.00 54.97 53.05 1xqq s GLU 18 Cb 0.06 -1.70 1.34 0.00 -1.78 0.00 0.00 34.13 32.05 1xqq s GLU 18 CO 0.15 -0.14 2.00 -1.35 -0.49 0.00 0.00 175.26 175.44 1xqq h PRO 19 N 1.60 0.06 -0.59 0.39 0.11 -1.97 -2.76 132.00 128.83 1xqq h PRO 19 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xqq h PRO 19 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xqq h PRO 19 CO 0.77 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 179.03 1xqq n SER 20 N -4.40 3.21 -4.75 -2.05 7.64 -1.26 -2.74 113.62 109.27 1xqq n SER 20 Ca 0.09 -2.27 -0.41 0.00 1.01 0.00 0.00 58.87 57.29 1xqq n SER 20 Cb 0.54 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.76 7.31 0.60 6.43 1.01 -1.04 -4.79 116.67 125.42 1xqq s ASP 21 Ca 0.33 2.15 -0.07 0.00 0.71 0.00 0.00 52.55 55.67 1xqq s ASP 21 Cb 0.21 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1xqq s ASP 21 CO 0.16 -0.15 0.93 0.42 0.21 0.00 0.00 175.17 176.74 1xqq s THR 22 N -0.74 3.78 -0.52 -1.27 -4.23 -1.26 -1.59 115.64 109.82 1xqq s THR 22 Ca 0.46 0.14 0.25 0.00 -1.18 0.00 0.00 61.69 61.36 1xqq s THR 22 Cb -0.30 -3.51 0.32 0.00 1.34 0.00 0.00 72.50 70.34 1xqq s THR 22 CO 0.37 -0.56 1.71 0.40 -0.54 0.00 0.00 174.62 176.01 1xqq h ILE 23 N -0.23 0.00 0.16 2.99 1.08 -0.64 -1.38 117.51 119.49 1xqq h ILE 23 Ca -0.45 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1xqq h ILE 23 Cb 1.25 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.69 1xqq h ILE 23 CO 0.61 0.00 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.92 1xqq h GLU 24 N 0.00 -0.20 0.00 2.37 4.81 -1.45 -1.63 114.58 118.48 1xqq h GLU 24 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1xqq h GLU 24 Cb 0.82 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1xqq h GLU 24 CO 0.00 -0.04 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.15 1xqq h ASN 25 N -0.32 0.00 0.45 1.04 2.35 -1.70 0.14 115.58 117.54 1xqq h ASN 25 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1xqq h ASN 25 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1xqq h ASN 25 CO 0.04 0.18 -0.22 0.58 -1.65 0.00 0.00 177.43 176.35 1xqq h VAL 26 N 0.00 0.47 -0.94 2.81 2.07 -1.19 -2.18 116.25 117.29 1xqq h VAL 26 Ca -0.00 -0.43 0.27 0.00 0.82 0.00 0.00 66.70 67.36 1xqq h VAL 26 Cb 0.47 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1xqq h VAL 26 CO 0.02 0.07 0.67 0.11 0.02 0.00 0.00 177.57 178.46 1xqq h LYS 27 N -0.89 0.04 -0.55 1.57 1.57 -0.77 -2.41 116.57 115.12 1xqq h LYS 27 Ca -0.06 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1xqq h LYS 27 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1xqq h LYS 27 CO 0.10 0.03 0.19 0.00 -0.57 0.00 0.00 179.45 179.19 1xqq h ALA 28 N 1.54 0.73 -0.14 3.86 0.00 -0.61 -1.48 119.26 123.16 1xqq h ALA 28 Ca 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xqq h ALA 28 Cb 1.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1xqq h ALA 28 CO -0.03 0.38 -0.00 0.87 0.00 0.00 0.00 179.25 180.47 1xqq h LYS 29 N 0.77 0.19 0.18 0.00 1.57 -0.91 -0.57 116.57 117.80 1xqq h LYS 29 Ca 0.18 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 29 Cb 0.26 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xqq h LYS 29 CO -0.01 0.22 -1.68 0.82 -0.57 0.00 0.00 179.45 178.23 1xqq h ILE 30 N 0.19 0.98 -0.53 1.86 2.04 -1.39 -2.51 117.51 118.15 1xqq h ILE 30 Ca 0.05 -2.51 0.11 0.00 1.00 0.00 0.00 64.86 63.50 1xqq h ILE 30 Cb 0.14 2.79 -0.11 0.00 -0.74 0.00 0.00 36.82 38.90 1xqq h ILE 30 CO 0.00 0.84 -0.20 -0.61 0.00 0.00 0.00 178.15 178.18 1xqq h GLN 31 N 0.05 -0.07 -0.99 2.37 4.15 -1.27 0.98 115.11 120.33 1xqq h GLN 31 Ca -0.33 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.17 1xqq h GLN 31 Cb 2.06 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.70 1xqq h GLN 31 CO 0.17 -0.05 0.64 0.22 -1.93 0.00 0.00 178.83 177.88 1xqq h ASP 32 N -0.08 0.99 0.00 -0.69 3.58 -1.20 -2.91 116.42 116.12 1xqq h ASP 32 Ca 0.25 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1xqq h ASP 32 Cb 0.46 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1xqq h ASP 32 CO -0.59 0.61 0.00 1.17 -2.88 0.00 0.00 179.24 177.55 1xqq n LYS 33 N -4.53 0.00 0.02 0.28 3.00 -0.29 -4.67 118.16 111.98 1xqq n LYS 33 Ca 0.16 0.28 -0.01 0.00 -0.00 0.00 0.00 58.31 58.74 1xqq n LYS 33 Cb 0.23 -0.77 -0.09 0.00 0.00 0.00 0.00 35.03 34.41 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1xqq h GLU 34 N 0.00 0.00 -0.55 1.64 4.39 -1.06 -3.49 114.58 115.51 1xqq h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xqq h GLU 34 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xqq h GLU 34 CO 0.00 0.33 0.00 0.41 -1.16 0.00 0.00 179.01 178.59 1xqq n GLY 35 N 1.42 0.81 3.67 -3.84 0.00 -1.10 -5.04 105.19 101.10 1xqq n GLY 35 Ca -0.11 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.21 5.08 0.41 -0.61 -1.09 -1.26 -4.99 121.20 116.54 1xqq s ILE 36 Ca 0.00 1.03 -0.23 0.00 -2.23 0.00 0.00 60.65 59.22 1xqq s ILE 36 Cb 0.00 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1xqq s ILE 36 CO 0.00 0.17 1.01 -2.84 -1.23 0.00 0.00 174.94 172.04 1xqq s PRO 37 N 1.65 4.19 0.53 2.79 0.02 -1.26 -4.10 135.00 138.82 1xqq s PRO 37 Ca 0.26 1.37 0.32 0.00 0.02 0.00 0.00 61.00 62.96 1xqq s PRO 37 Cb -0.16 -2.43 1.30 0.00 0.02 0.00 0.00 34.50 33.23 1xqq s PRO 37 CO 0.10 -0.09 1.96 -1.00 -0.33 0.00 0.00 177.00 177.64 1xqq h PRO 38 N 2.33 0.00 0.00 5.54 0.13 -1.95 -1.19 132.00 136.86 1xqq h PRO 38 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1xqq h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.62 0.05 -0.45 0.38 -0.23 0.00 0.00 178.00 178.37 1xqq h ASP 39 N 0.00 0.00 1.43 1.44 2.03 -2.00 -2.91 116.42 116.41 1xqq h ASP 39 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1xqq h ASP 39 Cb 0.54 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1xqq h ASP 39 CO 0.01 0.45 -0.30 1.56 -1.03 0.00 0.00 179.24 179.93 1xqq h GLN 40 N 0.00 0.00 -6.52 4.15 1.08 -1.60 -3.44 115.11 108.78 1xqq h GLN 40 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.64 1xqq h GLN 40 Cb 0.92 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.29 1xqq h GLN 40 CO 0.06 0.30 1.04 -0.65 -0.95 0.00 0.00 178.83 178.63 1xqq s GLN 41 N -3.24 3.48 -0.27 1.46 -0.21 -1.07 -4.23 119.66 115.59 1xqq s GLN 41 Ca 0.04 0.56 -0.03 0.00 0.02 0.00 0.00 55.36 55.94 1xqq s GLN 41 Cb 0.08 -4.04 0.02 0.00 1.00 0.00 0.00 33.01 30.07 1xqq s GLN 41 CO 0.69 -1.70 -0.00 0.50 -2.12 0.00 0.00 175.29 172.65 1xqq s ARG 42 N 5.09 2.86 -0.31 2.91 3.52 -1.22 -5.00 118.95 126.79 1xqq s ARG 42 Ca 0.52 -0.98 -0.12 0.00 -0.13 0.00 0.00 55.73 55.02 1xqq s ARG 42 Cb -0.10 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1xqq s ARG 42 CO 0.28 -0.45 0.21 -0.51 -0.81 0.00 0.00 175.30 174.02 1xqq s LEU 43 N 1.37 4.24 0.21 -0.88 1.43 -1.26 -2.12 118.68 121.67 1xqq s LEU 43 Ca 0.00 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1xqq s LEU 43 Cb -0.17 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 43 CO -0.02 -0.14 0.37 0.27 0.23 0.00 0.00 176.35 177.07 1xqq s ILE 44 N 1.74 5.24 -0.01 -0.59 -4.36 -1.01 -0.30 121.20 121.91 1xqq s ILE 44 Ca 0.07 -0.62 -0.00 0.00 -0.26 0.00 0.00 60.65 59.84 1xqq s ILE 44 Cb -0.17 -3.78 -0.00 0.00 1.25 0.00 0.00 42.46 39.76 1xqq s ILE 44 CO 0.11 -0.24 0.01 0.15 0.24 0.00 0.00 174.94 175.21 1xqq h PHE 45 N 1.69 -0.00 0.00 1.37 3.57 -1.54 -0.83 116.94 121.19 1xqq h PHE 45 Ca -0.49 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1xqq h PHE 45 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1xqq h PHE 45 CO 0.52 -0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.60 1xqq n ALA 46 N -2.09 3.00 0.00 2.41 0.00 -1.26 -4.30 120.51 118.27 1xqq n ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xqq n ALA 46 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 2.45 0.00 3.87 0.00 0.00 -1.26 -5.07 105.19 105.18 1xqq n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.69 3.55 0.20 1.61 3.01 -1.26 -5.07 119.74 120.09 1xqq s LYS 48 Ca 0.00 -0.03 -0.12 0.00 -1.01 0.00 0.00 55.97 54.81 1xqq s LYS 48 Cb 0.00 -3.20 -0.07 0.00 -1.01 0.00 0.00 37.83 33.55 1xqq s LYS 48 CO 0.00 0.75 0.56 -1.14 0.51 0.00 0.00 175.35 176.03 1xqq s GLN 49 N -1.00 3.89 -0.30 1.68 0.74 -1.26 -1.42 119.66 121.99 1xqq s GLN 49 Ca 0.17 0.39 -0.12 0.00 0.05 0.00 0.00 55.36 55.85 1xqq s GLN 49 Cb -0.13 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1xqq s GLN 49 CO 0.06 0.38 0.22 -0.51 -0.55 0.00 0.00 175.29 174.88 1xqq s LEU 50 N -2.46 4.16 0.11 3.68 1.43 0.58 -4.90 118.68 121.29 1xqq s LEU 50 Ca 0.44 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1xqq s LEU 50 Cb -0.13 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 50 CO 0.20 -0.11 0.38 -1.61 0.23 0.00 0.00 176.35 175.43 1xqq s GLU 51 N 1.77 3.66 0.27 1.70 2.02 -1.26 -4.58 118.70 122.28 1xqq s GLU 51 Ca 0.07 0.00 -0.05 0.00 0.02 0.00 0.00 54.97 55.02 1xqq s GLU 51 Cb -0.16 -2.91 0.53 0.00 0.10 0.00 0.00 34.13 31.68 1xqq s GLU 51 CO 0.11 0.51 1.61 -0.44 0.02 0.00 0.00 175.26 177.07 1xqq h ASP 52 N 3.22 -0.45 -0.91 -0.19 5.19 -1.98 -3.11 116.42 118.20 1xqq h ASP 52 Ca -0.47 0.23 -0.50 0.00 -0.62 0.00 0.00 57.03 55.67 1xqq h ASP 52 Cb 1.18 0.41 -0.28 0.00 0.18 0.00 0.00 39.33 40.82 1xqq h ASP 52 CO 0.70 -0.24 0.63 0.61 -3.12 0.00 0.00 179.24 177.82 1xqq n GLY 53 N -1.46 4.48 3.44 2.75 0.00 -1.26 -1.19 105.19 111.95 1xqq n GLY 53 Ca 0.16 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.08 1.67 0.40 1.61 0.52 -1.17 -4.96 118.95 113.94 1xqq s ARG 54 Ca 0.53 -1.95 0.08 0.00 -0.52 0.00 0.00 55.73 53.87 1xqq s ARG 54 Cb 0.44 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 35.19 1xqq s ARG 54 CO 0.08 -0.26 0.55 0.95 0.02 0.00 0.00 175.30 176.64 1xqq s THR 55 N -3.35 3.22 0.28 0.02 -4.23 -1.26 -1.93 115.64 108.39 1xqq s THR 55 Ca 0.34 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1xqq s THR 55 Cb 0.07 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 71.11 1xqq s THR 55 CO 0.15 -0.03 1.84 -0.07 -0.54 0.00 0.00 174.62 175.96 1xqq h LEU 56 N 0.69 0.93 -0.01 4.79 3.38 -1.34 -2.63 115.31 121.13 1xqq h LEU 56 Ca -0.41 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xqq h LEU 56 Cb 1.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xqq h LEU 56 CO 0.47 0.49 0.00 -1.28 0.09 0.00 0.00 178.44 178.21 1xqq h SER 57 N 1.00 0.01 -0.65 -0.43 0.87 -1.77 0.01 113.55 112.59 1xqq h SER 57 Ca 0.50 -0.19 0.08 0.00 -1.23 0.00 0.00 61.79 60.95 1xqq h SER 57 Cb 0.49 -0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.34 1xqq h SER 57 CO -0.27 0.20 -0.50 0.44 -0.53 0.00 0.00 176.83 176.17 1xqq h ASP 58 N -0.18 -1.73 -0.06 6.23 3.32 -1.82 0.10 116.42 122.28 1xqq h ASP 58 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.34 1xqq h ASP 58 Cb 0.19 0.77 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 1xqq h ASP 58 CO -0.00 -0.33 0.28 1.88 -1.72 0.00 0.00 179.24 179.35 1xqq h TYR 59 N -0.21 0.00 -5.98 4.55 0.05 -1.38 -3.47 116.97 110.53 1xqq h TYR 59 Ca 0.16 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.56 1xqq h TYR 59 Cb 0.54 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.39 1xqq h TYR 59 CO -0.79 0.00 -0.88 0.09 -1.05 0.00 0.00 178.16 175.53 1xqq n ASN 60 N -3.08 -4.16 -4.75 3.88 5.03 0.36 -5.03 115.26 107.50 1xqq n ASN 60 Ca -0.01 -0.87 -0.37 0.00 0.87 0.00 0.00 54.58 54.20 1xqq n ASN 60 Cb 0.35 -4.08 -0.06 0.00 -1.02 0.00 0.00 39.78 34.97 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 -3.52 5.20 0.00 2.41 1.01 -0.05 -5.01 121.20 121.24 1xqq s ILE 61 Ca 0.30 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1xqq s ILE 61 Cb -0.08 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1xqq s ILE 61 CO 0.81 0.40 0.00 0.00 0.00 0.00 0.00 174.94 176.15 1xqq n GLN 62 N 3.26 2.17 -2.64 2.79 1.13 -1.26 -4.60 117.38 118.22 1xqq n GLN 62 Ca -0.10 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 1xqq n GLN 62 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1xqq s LYS 63 N -0.03 4.41 -1.13 -1.09 2.20 -1.26 -3.72 119.74 119.12 1xqq s LYS 63 Ca 0.00 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1xqq s LYS 63 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1xqq s LYS 63 CO 0.00 -0.34 0.00 0.39 -0.36 0.00 0.00 175.35 175.04 1xqq n GLU 64 N 5.03 -0.96 -2.14 4.03 1.02 -0.58 -5.03 120.64 122.01 1xqq n GLU 64 Ca 0.09 0.69 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 1xqq n GLU 64 Cb 0.48 -4.83 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 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 -2.55 5.92 -0.19 1.62 0.01 -1.24 -4.74 113.70 112.53 1xqq s SER 65 Ca 0.00 1.82 -0.17 0.00 1.31 0.00 0.00 55.95 58.91 1xqq s SER 65 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1xqq s SER 65 CO 0.00 -1.07 0.44 -0.89 0.41 0.00 0.00 173.24 172.13 1xqq s THR 66 N -2.39 5.17 0.27 1.44 2.01 -1.26 -2.58 115.64 118.30 1xqq s THR 66 Ca 0.64 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 63.41 1xqq s THR 66 Cb -0.16 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1xqq s THR 66 CO 0.34 0.24 0.52 -0.76 -0.69 0.00 0.00 174.62 174.27 1xqq s LEU 67 N 1.30 4.09 -0.27 4.42 1.43 -0.15 -4.88 118.68 124.62 1xqq s LEU 67 Ca 0.21 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1xqq s LEU 67 Cb -0.15 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.70 1xqq s LEU 67 CO 0.09 -0.17 -0.05 -1.00 0.23 0.00 0.00 176.35 175.45 1xqq s HIS 68 N -2.05 3.02 -0.19 0.29 3.76 -0.32 -1.70 115.29 118.09 1xqq s HIS 68 Ca 0.43 -2.26 -0.29 0.00 -0.15 0.00 0.00 55.06 52.78 1xqq s HIS 68 Cb -0.11 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.56 1xqq s HIS 68 CO 0.30 -0.86 1.12 -1.17 -0.85 0.00 0.00 174.74 173.28 1xqq s LEU 69 N 1.18 4.15 0.00 0.89 2.96 -0.77 -2.39 118.68 124.69 1xqq s LEU 69 Ca -0.03 1.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 1xqq s LEU 69 Cb -0.19 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1xqq s LEU 69 CO -0.07 -0.68 0.09 1.33 -1.32 0.00 0.00 176.35 175.70 1xqq n VAL 70 N 5.24 0.00 -2.93 1.68 0.24 -0.90 -3.87 118.33 117.79 1xqq n VAL 70 Ca 0.12 -2.41 -0.18 0.00 -2.04 0.00 0.00 64.34 59.83 1xqq n VAL 70 Cb 0.46 0.71 0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xqq s LEU 71 N 0.00 3.47 -0.08 1.34 1.43 -1.26 -3.45 118.68 120.13 1xqq s LEU 71 Ca 0.13 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1xqq s LEU 71 Cb 0.01 -2.49 -0.29 0.00 0.03 0.00 0.00 46.19 43.45 1xqq s LEU 71 CO 0.09 -0.97 0.69 -0.09 0.23 0.00 0.00 176.35 176.30 1xqq h ARG 72 N 0.41 0.27 0.00 1.70 2.43 -1.92 -3.42 114.38 113.85 1xqq h ARG 72 Ca -0.38 -0.47 -0.16 0.00 -0.81 0.00 0.00 59.98 58.16 1xqq h ARG 72 Cb 1.28 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1xqq h ARG 72 CO 0.45 1.22 -1.26 -0.11 -1.51 0.00 0.00 179.97 178.76 1xqq n LEU 73 N -3.99 1.88 -4.87 3.80 7.94 -1.26 -5.04 117.00 115.47 1xqq n LEU 73 Ca -0.21 0.45 -0.31 0.00 -1.11 0.00 0.00 56.01 54.83 1xqq n LEU 73 Cb 0.88 -0.85 -0.04 0.00 0.53 0.00 0.00 43.42 43.93 1xqq n LEU 73 CO 0.44 -0.01 0.41 -0.13 -1.11 0.00 0.00 177.39 176.99 1xqq s ARG 74 N -2.49 3.86 -0.30 1.96 0.52 -1.26 -5.04 118.95 116.20 1xqq s ARG 74 Ca -0.27 0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 1xqq s ARG 74 Cb 0.06 -2.43 0.20 0.00 0.52 0.00 0.00 34.95 33.30 1xqq s ARG 74 CO 0.42 0.07 1.16 0.20 0.02 0.00 0.00 175.30 177.18 1xqq s GLY 75 N -2.76 -1.70 0.00 -3.53 0.00 -1.26 -4.26 107.32 93.81 1xqq s GLY 75 Ca 0.52 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1xqq s GLY 75 CO 0.25 4.48 0.00 0.61 0.00 0.00 0.00 173.10 178.44