#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 4.28 0.06 2.12 0.74 -1.26 0.04 119.66 125.64 1xqq s GLN 2 Ca 0.00 0.61 0.06 0.00 0.05 0.00 0.00 55.36 56.08 1xqq s GLN 2 Cb 0.00 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 1xqq s GLN 2 CO 0.00 -0.08 -0.17 0.96 -0.55 0.00 0.00 175.29 175.45 1xqq s ILE 3 N 1.38 1.32 -0.13 -2.34 -4.36 -0.72 0.24 121.20 116.58 1xqq s ILE 3 Ca 0.29 -1.20 -0.07 0.00 -0.26 0.00 0.00 60.65 59.42 1xqq s ILE 3 Cb -0.16 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 1xqq s ILE 3 CO 0.12 -0.02 0.12 -0.36 0.24 0.00 0.00 174.94 175.04 1xqq s PHE 4 N -0.98 3.51 -0.23 1.37 0.08 -0.18 -1.18 117.98 120.38 1xqq s PHE 4 Ca 0.03 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1xqq s PHE 4 Cb -0.09 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.45 1xqq s PHE 4 CO 0.02 0.61 -0.05 0.08 -0.10 0.00 0.00 175.22 175.79 1xqq s VAL 5 N -0.72 1.44 0.05 -0.44 1.01 0.46 -0.01 120.40 122.19 1xqq s VAL 5 Ca 0.13 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 1xqq s VAL 5 Cb -0.12 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1xqq s VAL 5 CO 0.03 -0.09 0.41 -0.75 0.00 0.00 0.00 175.10 174.70 1xqq s LYS 6 N 1.44 3.83 0.56 2.72 2.20 0.77 -1.18 119.74 130.09 1xqq s LYS 6 Ca -0.05 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1xqq s LYS 6 Cb -0.18 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1xqq s LYS 6 CO -0.06 0.60 0.78 0.95 -0.36 0.00 0.00 175.35 177.26 1xqq s THR 7 N -1.29 2.48 0.09 3.43 -4.23 -0.77 0.11 115.64 115.46 1xqq s THR 7 Ca 0.30 -0.83 -0.25 0.00 -1.18 0.00 0.00 61.69 59.73 1xqq s THR 7 Cb -0.15 -2.66 -0.15 0.00 1.34 0.00 0.00 72.50 70.88 1xqq s THR 7 CO 0.16 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.21 1xqq h LEU 8 N 0.11 -0.16 -0.53 4.79 5.85 -1.55 -3.19 115.31 120.64 1xqq h LEU 8 Ca -0.37 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 1xqq h LEU 8 Cb 1.28 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1xqq h LEU 8 CO 0.44 -0.11 -0.12 0.71 -0.34 0.00 0.00 178.44 179.03 1xqq h THR 9 N -0.18 1.27 0.00 1.05 1.35 -1.96 -3.48 112.91 110.96 1xqq h THR 9 Ca -0.01 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 1xqq h THR 9 Cb 0.14 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1xqq h THR 9 CO 0.02 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1xqq n GLY 10 N -0.24 0.44 3.68 5.82 0.00 -1.20 -5.12 105.19 108.57 1xqq n GLY 10 Ca 0.01 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.28 4.18 -0.37 1.61 2.20 -1.26 -4.82 119.74 121.00 1xqq s LYS 11 Ca 0.00 0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.58 1xqq s LYS 11 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1xqq s LYS 11 CO 0.00 0.03 0.44 0.99 -0.36 0.00 0.00 175.35 176.45 1xqq s THR 12 N 1.11 5.08 0.06 3.43 2.01 -1.26 -1.85 115.64 124.21 1xqq s THR 12 Ca 0.18 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 1xqq s THR 12 Cb -0.14 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 1xqq s THR 12 CO 0.07 -0.26 0.48 0.27 -0.69 0.00 0.00 174.62 174.49 1xqq s ILE 13 N 2.20 4.91 -0.20 1.82 -4.36 -0.32 -4.89 121.20 120.36 1xqq s ILE 13 Ca 0.14 0.92 -0.06 0.00 -0.26 0.00 0.00 60.65 61.40 1xqq s ILE 13 Cb -0.16 -3.77 -0.03 0.00 1.25 0.00 0.00 42.46 39.75 1xqq s ILE 13 CO 0.13 0.49 0.02 -0.89 0.24 0.00 0.00 174.94 174.93 1xqq s THR 14 N -1.18 4.16 0.01 8.37 2.01 -1.26 -0.41 115.64 127.33 1xqq s THR 14 Ca 0.29 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1xqq s THR 14 Cb -0.17 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1xqq s THR 14 CO 0.17 0.42 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.55 1xqq s LEU 15 N 0.97 2.09 -0.37 4.42 2.01 -0.32 -5.01 118.68 122.47 1xqq s LEU 15 Ca 0.02 -0.43 -0.07 0.00 0.01 0.00 0.00 54.13 53.66 1xqq s LEU 15 Cb -0.14 -1.03 0.05 0.00 0.01 0.00 0.00 46.19 45.08 1xqq s LEU 15 CO 0.02 0.22 0.17 -1.61 1.01 0.00 0.00 176.35 176.16 1xqq s GLU 16 N -0.75 2.59 0.36 1.70 2.02 -1.26 -1.76 118.70 121.60 1xqq s GLU 16 Ca 0.08 -1.30 0.02 0.00 0.02 0.00 0.00 54.97 53.79 1xqq s GLU 16 Cb -0.08 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1xqq s GLU 16 CO 0.00 -0.78 0.06 1.33 0.02 0.00 0.00 175.26 175.89 1xqq n VAL 17 N 4.85 0.00 -4.09 2.63 0.24 0.11 -4.88 118.33 117.19 1xqq n VAL 17 Ca -0.11 -1.88 -0.22 0.00 -2.04 0.00 0.00 64.34 60.09 1xqq n VAL 17 Cb 0.44 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 1xqq n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xqq s GLU 18 N -3.32 3.00 0.00 7.34 0.41 -1.26 0.89 118.70 125.76 1xqq s GLU 18 Ca 0.09 -0.98 0.29 0.00 -0.41 0.00 0.00 54.97 53.95 1xqq s GLU 18 Cb 0.00 -2.62 1.15 0.00 -1.78 0.00 0.00 34.13 30.88 1xqq s GLU 18 CO 0.06 0.42 1.87 -0.35 -0.49 0.00 0.00 175.26 176.78 1xqq n PRO 19 N -1.08 0.01 -0.06 0.39 -0.04 -1.26 -2.43 135.00 130.53 1xqq n PRO 19 Ca -0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1xqq n PRO 19 Cb 0.57 -1.51 0.31 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.52 2.36 -4.82 3.54 7.64 -1.26 -1.13 113.62 118.43 1xqq n SER 20 Ca 0.07 -1.79 -0.31 0.00 1.01 0.00 0.00 58.87 57.85 1xqq n SER 20 Cb 0.34 -0.08 0.06 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.78 5.23 0.57 6.43 1.01 -1.02 -4.80 116.67 122.31 1xqq s ASP 21 Ca 0.34 1.48 -0.05 0.00 0.71 0.00 0.00 52.55 55.03 1xqq s ASP 21 Cb 0.20 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.81 1xqq s ASP 21 CO 0.30 -1.52 0.86 0.42 0.21 0.00 0.00 175.17 175.44 1xqq s THR 22 N -3.11 3.73 0.17 -1.27 -4.23 -1.26 -2.29 115.64 107.38 1xqq s THR 22 Ca 0.58 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.94 1xqq s THR 22 Cb -0.14 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.25 1xqq s THR 22 CO 0.54 -0.46 1.56 0.40 -0.54 0.00 0.00 174.62 176.13 1xqq h ILE 23 N -0.08 1.27 -0.66 2.99 1.08 -0.89 -2.84 117.51 118.38 1xqq h ILE 23 Ca -0.45 -1.38 0.10 0.00 -0.39 0.00 0.00 64.86 62.74 1xqq h ILE 23 Cb 1.25 1.13 -0.08 0.00 -3.07 0.00 0.00 36.82 36.06 1xqq h ILE 23 CO 0.60 0.48 0.27 -0.08 -0.69 0.00 0.00 178.15 178.72 1xqq h GLU 24 N 0.84 0.44 -0.77 2.37 4.81 -1.60 -0.60 114.58 120.08 1xqq h GLU 24 Ca 0.11 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1xqq h GLU 24 Cb 0.79 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1xqq h GLU 24 CO 0.07 0.29 0.48 -0.97 -0.73 0.00 0.00 179.01 178.15 1xqq h ASN 25 N 0.45 0.78 0.20 1.04 -0.73 -1.82 -1.14 115.58 114.36 1xqq h ASN 25 Ca 0.34 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.52 1xqq h ASN 25 Cb 0.43 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1xqq h ASN 25 CO -0.32 0.53 -0.24 0.58 -0.37 0.00 0.00 177.43 177.61 1xqq h VAL 26 N 0.92 0.49 -0.09 2.57 2.07 -0.93 -2.38 116.25 118.89 1xqq h VAL 26 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 1xqq h VAL 26 Cb 0.05 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1xqq h VAL 26 CO -0.12 0.00 0.08 0.11 0.02 0.00 0.00 177.57 177.65 1xqq h LYS 27 N -0.49 0.00 -0.69 1.57 1.57 -0.73 -0.67 116.57 117.14 1xqq h LYS 27 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 27 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1xqq h LYS 27 CO -0.08 0.00 0.13 0.00 -0.57 0.00 0.00 179.45 178.94 1xqq h ALA 28 N 1.93 0.91 -0.27 3.86 0.00 -1.05 -2.02 119.26 122.62 1xqq h ALA 28 Ca 0.04 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1xqq h ALA 28 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xqq h ALA 28 CO -0.00 0.66 -0.57 0.87 0.00 0.00 0.00 179.25 180.21 1xqq h LYS 29 N 1.05 0.83 -0.67 0.00 1.57 -0.61 -0.64 116.57 118.10 1xqq h LYS 29 Ca 0.21 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1xqq h LYS 29 Cb 0.41 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1xqq h LYS 29 CO 0.01 1.16 0.41 0.82 -0.57 0.00 0.00 179.45 181.29 1xqq h ILE 30 N 0.63 1.18 0.14 1.86 2.04 -1.45 0.30 117.51 122.22 1xqq h ILE 30 Ca 0.01 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1xqq h ILE 30 Cb 1.17 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1xqq h ILE 30 CO 0.12 0.19 -0.07 -0.61 0.00 0.00 0.00 178.15 177.79 1xqq h GLN 31 N 0.92 -0.18 -0.72 2.37 4.15 -1.03 -1.76 115.11 118.86 1xqq h GLN 31 Ca 0.24 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.82 1xqq h GLN 31 Cb -0.05 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.58 1xqq h GLN 31 CO -0.05 0.15 0.22 0.22 -1.93 0.00 0.00 178.83 177.45 1xqq h ASP 32 N -0.53 0.12 0.00 -0.69 1.82 -0.69 -1.78 116.42 114.68 1xqq h ASP 32 Ca -0.02 0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1xqq h ASP 32 Cb 0.41 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1xqq h ASP 32 CO 0.03 0.03 -0.00 0.50 -1.61 0.00 0.00 179.24 178.19 1xqq h LYS 33 N 0.34 -0.00 0.00 0.28 1.63 -0.88 -3.38 116.57 114.56 1xqq h LYS 33 Ca 0.40 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.87 1xqq h LYS 33 Cb 0.64 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 1xqq h LYS 33 CO -0.45 0.84 -2.26 0.39 -3.45 0.00 0.00 179.45 174.52 1xqq n GLU 34 N -4.64 0.99 -0.38 1.90 -0.58 -0.67 -5.03 120.64 112.23 1xqq n GLU 34 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1xqq n GLU 34 Cb 0.40 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 1.92 1.42 3.67 0.62 0.00 -0.67 -5.05 105.19 107.11 1xqq n GLY 35 Ca -0.31 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.07 5.12 1.22 -0.61 1.01 -1.25 -5.05 121.20 119.57 1xqq s ILE 36 Ca 0.00 0.96 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 1xqq s ILE 36 Cb 0.00 -3.84 0.30 0.00 0.01 0.00 0.00 42.46 38.93 1xqq s ILE 36 CO 0.00 0.20 1.01 -2.84 0.00 0.00 0.00 174.94 173.31 1xqq s PRO 37 N 1.47 -1.37 0.27 2.79 0.02 -1.26 -4.47 135.00 132.45 1xqq s PRO 37 Ca 0.24 0.65 0.14 0.00 0.02 0.00 0.00 61.00 62.06 1xqq s PRO 37 Cb -0.15 -1.52 0.24 0.00 0.02 0.00 0.00 34.50 33.09 1xqq s PRO 37 CO 0.10 -3.97 1.52 -1.00 -0.33 0.00 0.00 177.00 173.32 1xqq h PRO 38 N -2.79 0.00 0.00 5.54 0.13 -1.94 -3.22 132.00 129.71 1xqq h PRO 38 Ca -0.59 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 1xqq h PRO 38 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1xqq h PRO 38 CO 0.47 0.59 -0.19 0.38 -0.23 0.00 0.00 178.00 179.02 1xqq h ASP 39 N 0.00 0.00 0.07 1.44 2.03 -2.01 -3.32 116.42 114.64 1xqq h ASP 39 Ca -0.01 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1xqq h ASP 39 Cb 1.27 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 1xqq h ASP 39 CO 0.08 0.03 -1.18 1.56 -1.03 0.00 0.00 179.24 178.70 1xqq h GLN 40 N 0.00 0.16 -6.06 4.15 4.20 -1.90 -3.40 115.11 112.26 1xqq h GLN 40 Ca -0.00 -0.27 -0.67 0.00 0.06 0.00 0.00 58.65 57.77 1xqq h GLN 40 Cb 1.03 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1xqq h GLN 40 CO 0.00 1.13 1.28 1.04 -0.67 0.00 0.00 178.83 181.61 1xqq n GLN 41 N -4.13 1.27 -4.04 1.46 6.02 -1.22 -1.29 117.38 115.46 1xqq n GLN 41 Ca -0.24 0.40 -0.34 0.00 -0.01 0.00 0.00 57.00 56.80 1xqq n GLN 41 Cb 0.79 -2.44 -0.15 0.00 1.02 0.00 0.00 30.24 29.46 1xqq n GLN 41 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1xqq s ARG 42 N 5.43 3.10 -0.16 -1.09 3.52 -0.63 -4.80 118.95 124.33 1xqq s ARG 42 Ca 1.05 -0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 55.71 1xqq s ARG 42 Cb -0.86 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1xqq s ARG 42 CO 0.52 -0.22 0.42 -1.17 -0.81 0.00 0.00 175.30 174.04 1xqq s LEU 43 N 1.35 4.23 0.11 -0.88 2.96 -1.26 -1.40 118.68 123.79 1xqq s LEU 43 Ca 0.05 0.66 0.10 0.00 -0.22 0.00 0.00 54.13 54.72 1xqq s LEU 43 Cb -0.14 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1xqq s LEU 43 CO -0.09 -0.01 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.06 1xqq s ILE 44 N 0.85 2.46 0.00 6.68 -1.09 0.56 -1.85 121.20 128.82 1xqq s ILE 44 Ca 0.22 -1.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.04 1xqq s ILE 44 Cb -0.15 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 1xqq s ILE 44 CO 0.08 0.14 0.00 0.33 -1.23 0.00 0.00 174.94 174.26 1xqq n PHE 45 N 1.02 0.00 0.00 3.97 -0.00 0.22 -0.92 117.46 121.75 1xqq n PHE 45 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 1xqq n PHE 45 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xqq n ALA 46 N -1.56 0.00 -0.22 3.13 0.00 -1.26 -3.72 120.51 116.88 1xqq n ALA 46 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xqq n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.64 0.19 3.93 0.00 0.00 -1.26 -4.95 105.19 104.74 1xqq n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.27 3.28 0.68 1.61 1.02 -1.26 -5.09 119.74 119.71 1xqq s LYS 48 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 1xqq s LYS 48 Cb 0.00 -2.79 0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1xqq s LYS 48 CO 0.00 0.41 0.96 1.14 -0.92 0.00 0.00 175.35 176.94 1xqq s GLN 49 N -3.95 2.20 -0.25 1.68 -2.07 -1.26 0.69 119.66 116.69 1xqq s GLN 49 Ca 0.34 -0.45 -0.01 0.00 -1.82 0.00 0.00 55.36 53.42 1xqq s GLN 49 Cb -0.09 -2.25 0.08 0.00 -1.09 0.00 0.00 33.01 29.66 1xqq s GLN 49 CO 0.28 -1.16 0.04 -0.51 -1.32 0.00 0.00 175.29 172.62 1xqq s LEU 50 N -5.14 1.99 0.30 2.60 1.43 -0.77 -4.65 118.68 114.45 1xqq s LEU 50 Ca 0.60 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 1xqq s LEU 50 Cb -0.10 -0.86 -0.10 0.00 0.03 0.00 0.00 46.19 45.17 1xqq s LEU 50 CO 0.43 -0.34 1.14 -1.61 0.23 0.00 0.00 176.35 176.21 1xqq s GLU 51 N 1.64 4.53 0.05 1.70 2.02 -1.26 -4.67 118.70 122.71 1xqq s GLU 51 Ca 0.02 1.87 -0.10 0.00 0.02 0.00 0.00 54.97 56.79 1xqq s GLU 51 Cb -0.18 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 1xqq s GLU 51 CO -0.14 0.09 1.02 -0.25 0.02 0.00 0.00 175.26 175.99 1xqq n ASP 52 N 0.99 -0.33 -0.16 -0.19 9.92 -1.26 -3.49 116.55 122.02 1xqq n ASP 52 Ca -0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1xqq n ASP 52 Cb 0.44 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.08 -0.16 3.39 0.44 0.00 -1.26 -1.66 105.19 104.87 1xqq n GLY 53 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.68 2.15 0.51 1.61 1.81 -1.23 -4.96 118.95 117.16 1xqq s ARG 54 Ca 0.00 -0.91 -0.05 0.00 -1.72 0.00 0.00 55.73 53.04 1xqq s ARG 54 Cb 0.00 -2.15 -0.02 0.00 -0.45 0.00 0.00 34.95 32.33 1xqq s ARG 54 CO 0.00 0.56 0.81 0.95 -0.68 0.00 0.00 175.30 176.95 1xqq s THR 55 N -0.75 4.52 0.19 0.02 -4.23 -1.26 -1.19 115.64 112.94 1xqq s THR 55 Ca 0.12 0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.59 1xqq s THR 55 Cb -0.10 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 70.17 1xqq s THR 55 CO 0.01 -0.73 1.64 -0.07 -0.54 0.00 0.00 174.62 174.94 1xqq h LEU 56 N 0.12 -0.57 -0.54 4.79 3.38 -1.52 -2.18 115.31 118.79 1xqq h LEU 56 Ca -0.46 0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1xqq h LEU 56 Cb 1.22 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 1xqq h LEU 56 CO 0.61 -0.20 -0.02 -1.28 0.09 0.00 0.00 178.44 177.64 1xqq h SER 57 N -0.03 -0.28 -0.80 -0.43 0.87 -1.35 -0.39 113.55 111.14 1xqq h SER 57 Ca 0.25 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1xqq h SER 57 Cb 0.41 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 1xqq h SER 57 CO -0.55 -0.10 0.47 -0.78 -0.53 0.00 0.00 176.83 175.33 1xqq h ASP 58 N 0.09 0.98 0.14 6.23 3.58 -1.74 -1.76 116.42 123.94 1xqq h ASP 58 Ca 0.27 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1xqq h ASP 58 Cb 0.43 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1xqq h ASP 58 CO -0.47 0.77 -0.06 -1.22 -2.88 0.00 0.00 179.24 175.37 1xqq n TYR 59 N -4.36 0.00 -3.05 0.28 4.01 -0.86 -4.96 117.16 108.22 1xqq n TYR 59 Ca 0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.70 1xqq n TYR 59 Cb 0.08 -0.07 0.06 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 -0.56 -2.50 -4.47 7.72 4.13 -0.29 -5.00 115.26 114.28 1xqq n ASN 60 Ca 0.18 -0.43 -0.43 0.00 1.68 0.00 0.00 54.58 55.58 1xqq n ASN 60 Cb 0.27 -3.77 -0.07 0.00 -1.54 0.00 0.00 39.78 34.67 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 -3.25 4.94 0.54 2.41 1.01 -0.41 -5.00 121.20 121.44 1xqq s ILE 61 Ca 0.06 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.49 1xqq s ILE 61 Cb -0.03 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 38.31 1xqq s ILE 61 CO 0.52 -0.63 0.69 -1.10 0.00 0.00 0.00 174.94 174.42 1xqq s GLN 62 N 2.49 2.39 0.54 2.79 -0.21 -1.26 -4.47 119.66 121.94 1xqq s GLN 62 Ca 0.16 -1.63 -0.22 0.00 0.02 0.00 0.00 55.36 53.69 1xqq s GLN 62 Cb -0.17 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.21 1xqq s GLN 62 CO 0.14 -0.71 1.36 -1.59 -2.12 0.00 0.00 175.29 172.37 1xqq s LYS 63 N -4.54 3.17 0.00 2.91 -2.85 -1.26 -3.37 119.74 113.79 1xqq s LYS 63 Ca 0.57 2.25 0.00 0.00 -1.00 0.00 0.00 55.97 57.78 1xqq s LYS 63 Cb -0.06 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1xqq s LYS 63 CO 0.35 -1.17 0.00 0.39 0.10 0.00 0.00 175.35 175.02 1xqq n GLU 64 N -0.99 0.00 -1.56 1.78 1.02 0.14 -4.99 120.64 116.04 1xqq n GLU 64 Ca 0.10 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.78 1xqq n GLU 64 Cb 0.45 -3.21 -0.02 0.00 -0.02 0.00 0.00 31.44 28.64 1xqq n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xqq n SER 65 N 0.00 1.01 -4.58 1.62 7.64 -1.22 -4.77 113.62 113.32 1xqq n SER 65 Ca 0.00 1.16 -0.36 0.00 1.01 0.00 0.00 58.87 60.69 1xqq n SER 65 Cb 0.00 -1.23 -0.11 0.00 -1.01 0.00 0.00 64.21 61.86 1xqq n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xqq s THR 66 N -0.83 4.84 0.40 0.44 2.01 -1.26 -1.01 115.64 120.24 1xqq s THR 66 Ca 0.63 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.70 1xqq s THR 66 Cb -0.77 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1xqq s THR 66 CO 0.58 0.38 0.28 -0.76 -0.69 0.00 0.00 174.62 174.40 1xqq s LEU 67 N 1.03 3.29 -0.02 4.42 1.02 0.99 -4.74 118.68 124.68 1xqq s LEU 67 Ca 0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.35 1xqq s LEU 67 Cb -0.14 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.28 1xqq s LEU 67 CO 0.04 -0.57 0.01 -1.00 0.02 0.00 0.00 176.35 174.85 1xqq s HIS 68 N -2.50 0.10 -0.31 0.29 3.76 -0.10 -0.16 115.29 116.37 1xqq s HIS 68 Ca 0.44 0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1xqq s HIS 68 Cb -0.01 -0.23 0.06 0.00 1.11 0.00 0.00 32.58 33.52 1xqq s HIS 68 CO 0.25 -0.08 0.01 -1.17 -0.85 0.00 0.00 174.74 172.91 1xqq s LEU 69 N 0.79 4.08 0.44 0.89 2.96 0.12 -0.32 118.68 127.64 1xqq s LEU 69 Ca -0.07 -1.47 0.06 0.00 -0.22 0.00 0.00 54.13 52.43 1xqq s LEU 69 Cb -0.10 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1xqq s LEU 69 CO -0.02 -0.30 0.08 0.68 -1.32 0.00 0.00 176.35 175.47 1xqq s VAL 70 N 1.18 1.91 0.31 1.68 -7.23 -0.49 -1.29 120.40 116.47 1xqq s VAL 70 Ca -0.03 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 1xqq s VAL 70 Cb -0.20 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 1xqq s VAL 70 CO -0.03 0.00 0.77 -0.22 -0.31 0.00 0.00 175.10 175.32 1xqq s LEU 71 N -3.83 4.14 -0.06 1.32 2.96 -1.26 -1.60 118.68 120.35 1xqq s LEU 71 Ca 0.31 1.41 -0.16 0.00 -0.22 0.00 0.00 54.13 55.47 1xqq s LEU 71 Cb 0.06 -4.00 -0.05 0.00 0.50 0.00 0.00 46.19 42.70 1xqq s LEU 71 CO 0.17 -0.15 0.43 -0.60 -1.32 0.00 0.00 176.35 174.88 1xqq s ARG 72 N -2.67 4.12 -0.21 1.98 3.52 -0.41 -4.73 118.95 120.55 1xqq s ARG 72 Ca 0.52 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1xqq s ARG 72 Cb -0.12 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1xqq s ARG 72 CO 0.18 0.45 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.85 1xqq s LEU 73 N -0.30 2.52 -0.09 -0.88 0.20 -1.26 -4.89 118.68 113.98 1xqq s LEU 73 Ca 0.24 -1.01 -0.20 0.00 0.69 0.00 0.00 54.13 53.85 1xqq s LEU 73 Cb -0.16 -1.29 -0.16 0.00 -0.43 0.00 0.00 46.19 44.14 1xqq s LEU 73 CO 0.12 -0.16 0.68 -0.09 -0.29 0.00 0.00 176.35 176.61 1xqq h ARG 74 N 7.93 -0.08 0.00 1.98 2.43 -1.96 -3.47 114.38 121.21 1xqq h ARG 74 Ca -0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1xqq h ARG 74 Cb 1.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1xqq h ARG 74 CO 0.47 0.47 0.00 0.41 -1.51 0.00 0.00 179.97 179.81 1xqq n GLY 75 N 1.17 1.81 0.00 2.80 0.00 -1.26 -5.32 105.19 104.39 1xqq n GLY 75 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93