#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 4.34 0.34 2.12 -0.21 -1.26 -1.62 119.66 123.37 1xqq s GLN 2 Ca 0.00 0.99 0.09 0.00 0.02 0.00 0.00 55.36 56.46 1xqq s GLN 2 Cb 0.00 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 1xqq s GLN 2 CO 0.00 -0.23 0.08 0.96 -2.12 0.00 0.00 175.29 173.98 1xqq s ILE 3 N 1.80 2.78 -0.10 1.08 -4.36 -0.66 0.13 121.20 121.86 1xqq s ILE 3 Ca 0.38 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 58.91 1xqq s ILE 3 Cb -0.17 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 1xqq s ILE 3 CO 0.14 -0.18 0.01 -0.36 0.24 0.00 0.00 174.94 174.79 1xqq s PHE 4 N -2.48 3.18 -0.32 1.37 0.08 -0.12 -1.42 117.98 118.26 1xqq s PHE 4 Ca 0.36 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.60 1xqq s PHE 4 Cb -0.01 -1.83 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 1xqq s PHE 4 CO 0.21 0.42 0.02 0.08 -0.10 0.00 0.00 175.22 175.85 1xqq s VAL 5 N -0.70 2.44 0.00 -0.44 1.01 0.11 -0.45 120.40 122.37 1xqq s VAL 5 Ca 0.11 -2.05 -0.21 0.00 0.00 0.00 0.00 61.98 59.83 1xqq s VAL 5 Cb -0.12 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1xqq s VAL 5 CO 0.02 -0.42 0.61 -0.75 0.00 0.00 0.00 175.10 174.56 1xqq s LYS 6 N 1.01 4.33 0.05 2.72 2.20 -0.04 -0.38 119.74 129.64 1xqq s LYS 6 Ca 0.04 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 56.41 1xqq s LYS 6 Cb -0.20 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1xqq s LYS 6 CO -0.06 0.36 0.07 0.25 -0.36 0.00 0.00 175.35 175.60 1xqq n THR 7 N 2.73 0.00 -0.08 3.43 -2.24 -0.70 -0.93 114.28 116.50 1xqq n THR 7 Ca -0.06 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1xqq n THR 7 Cb 0.51 -1.90 -0.16 0.00 -2.10 0.00 0.00 70.33 66.69 1xqq n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xqq n LEU 8 N 0.00 0.00 -0.11 3.22 7.94 -1.25 -3.72 117.00 123.09 1xqq n LEU 8 Ca 0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 1xqq n LEU 8 Cb 0.03 0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.32 1xqq n LEU 8 CO 0.02 0.37 0.59 0.71 -1.11 0.00 0.00 177.39 177.98 1xqq h THR 9 N 0.00 1.29 0.00 1.96 1.35 -1.96 -3.48 112.91 112.06 1xqq h THR 9 Ca -0.41 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1xqq h THR 9 Cb 1.92 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1xqq h THR 9 CO 0.02 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1xqq n GLY 10 N 0.08 0.73 3.16 5.82 0.00 -1.24 -5.13 105.19 108.61 1xqq n GLY 10 Ca -0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.83 2.17 -0.52 1.61 2.20 -1.26 -4.92 119.74 118.18 1xqq s LYS 11 Ca 0.00 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.72 1xqq s LYS 11 Cb 0.00 -1.80 0.06 0.00 -1.51 0.00 0.00 37.83 34.58 1xqq s LYS 11 CO 0.00 0.23 0.66 0.99 -0.36 0.00 0.00 175.35 176.87 1xqq s THR 12 N 0.13 4.83 -0.29 3.43 2.01 -1.26 -1.72 115.64 122.77 1xqq s THR 12 Ca -0.08 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1xqq s THR 12 Cb -0.14 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1xqq s THR 12 CO 0.04 -0.86 0.40 -0.63 -0.69 0.00 0.00 174.62 172.88 1xqq s ILE 13 N 2.75 5.15 -0.53 1.82 1.01 0.49 -4.91 121.20 126.99 1xqq s ILE 13 Ca 0.16 0.51 -0.17 0.00 0.00 0.00 0.00 60.65 61.15 1xqq s ILE 13 Cb -0.19 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.62 1xqq s ILE 13 CO 0.12 0.08 0.55 -0.89 0.00 0.00 0.00 174.94 174.80 1xqq s THR 14 N 2.12 5.05 -0.11 2.92 2.01 -1.26 0.05 115.64 126.41 1xqq s THR 14 Ca 0.16 -1.02 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1xqq s THR 14 Cb -0.16 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1xqq s THR 14 CO 0.10 -0.83 0.53 -0.76 -0.69 0.00 0.00 174.62 172.98 1xqq s LEU 15 N 2.11 4.27 -0.79 4.42 2.01 -0.50 -4.90 118.68 125.30 1xqq s LEU 15 Ca 0.08 0.89 -0.15 0.00 0.01 0.00 0.00 54.13 54.96 1xqq s LEU 15 Cb -0.24 -2.79 0.19 0.00 0.01 0.00 0.00 46.19 43.35 1xqq s LEU 15 CO 0.07 -0.05 0.78 -1.61 1.01 0.00 0.00 176.35 176.56 1xqq s GLU 16 N 0.77 3.48 0.49 1.70 2.02 -1.26 -1.66 118.70 124.24 1xqq s GLU 16 Ca 0.29 -2.18 0.08 0.00 0.02 0.00 0.00 54.97 53.18 1xqq s GLU 16 Cb -0.16 -4.47 0.04 0.00 0.10 0.00 0.00 34.13 29.64 1xqq s GLU 16 CO 0.12 -1.39 0.59 0.14 0.02 0.00 0.00 175.26 174.74 1xqq s VAL 17 N 0.91 2.43 -0.02 2.63 -7.23 -0.64 -4.83 120.40 113.66 1xqq s VAL 17 Ca 0.18 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 1xqq s VAL 17 Cb -0.13 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1xqq s VAL 17 CO -0.06 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.95 1xqq s GLU 18 N -4.41 2.34 0.41 4.82 0.41 -1.26 -0.27 118.70 120.74 1xqq s GLU 18 Ca 0.53 -0.80 0.23 0.00 -0.41 0.00 0.00 54.97 54.51 1xqq s GLU 18 Cb -0.06 -2.28 1.23 0.00 -1.78 0.00 0.00 34.13 31.23 1xqq s GLU 18 CO 0.32 0.59 1.66 -1.00 -0.49 0.00 0.00 175.26 176.34 1xqq h PRO 19 N 5.11 0.00 0.00 0.39 0.13 -1.93 -0.08 132.00 135.62 1xqq h PRO 19 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xqq h PRO 19 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xqq h PRO 19 CO 0.49 0.00 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.02 1xqq n SER 20 N -2.37 0.23 -4.77 1.44 3.41 -1.26 -2.28 113.62 108.02 1xqq n SER 20 Ca -0.02 0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 58.57 1xqq n SER 20 Cb 0.19 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -3.26 6.95 0.25 4.04 1.01 -0.05 -4.84 116.67 120.78 1xqq s ASP 21 Ca 0.13 2.20 -0.07 0.00 0.71 0.00 0.00 52.55 55.52 1xqq s ASP 21 Cb 0.18 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1xqq s ASP 21 CO 0.58 -0.36 0.54 0.42 0.21 0.00 0.00 175.17 176.55 1xqq s THR 22 N -1.39 5.00 0.57 -1.27 -4.23 -1.26 -2.57 115.64 110.49 1xqq s THR 22 Ca 0.52 0.21 0.26 0.00 -1.18 0.00 0.00 61.69 61.49 1xqq s THR 22 Cb -0.28 -3.68 0.35 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 22 CO 0.36 -0.20 2.12 0.40 -0.54 0.00 0.00 174.62 176.76 1xqq h ILE 23 N 1.65 0.63 -0.36 2.99 1.08 -1.18 -0.06 117.51 122.26 1xqq h ILE 23 Ca -0.47 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1xqq h ILE 23 Cb 1.18 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 1xqq h ILE 23 CO 0.68 0.00 0.10 -0.08 -0.69 0.00 0.00 178.15 178.16 1xqq h GLU 24 N 0.00 0.56 0.00 2.37 4.81 -1.02 -1.64 114.58 119.66 1xqq h GLU 24 Ca 0.08 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1xqq h GLU 24 CO -0.00 0.59 -0.60 -0.91 -0.73 0.00 0.00 179.01 177.36 1xqq h ASN 25 N 0.42 0.00 -0.18 1.04 2.35 -1.40 -2.46 115.58 115.35 1xqq h ASN 25 Ca 0.11 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1xqq h ASN 25 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1xqq h ASN 25 CO -0.00 0.60 -0.02 0.58 -1.65 0.00 0.00 177.43 176.93 1xqq h VAL 26 N 0.00 1.27 0.00 2.81 2.07 -1.03 -2.20 116.25 119.17 1xqq h VAL 26 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1xqq h VAL 26 Cb 1.11 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1xqq h VAL 26 CO 0.08 0.28 0.00 0.11 0.02 0.00 0.00 177.57 178.06 1xqq h LYS 27 N 0.06 0.00 0.00 1.57 1.57 -1.19 0.14 116.57 118.72 1xqq h LYS 27 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1xqq h LYS 27 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1xqq h LYS 27 CO 0.01 0.00 -0.42 0.00 -0.57 0.00 0.00 179.45 178.47 1xqq h ALA 28 N 2.00 0.73 0.11 3.86 0.00 -0.92 -2.45 119.26 122.60 1xqq h ALA 28 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 1xqq h ALA 28 Cb 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xqq h ALA 28 CO 0.00 0.51 -1.19 0.87 0.00 0.00 0.00 179.25 179.44 1xqq h LYS 29 N 0.00 0.36 -0.29 0.00 1.57 -0.68 0.25 116.57 117.78 1xqq h LYS 29 Ca -0.01 -0.53 -0.15 0.00 -1.87 0.00 0.00 60.65 58.09 1xqq h LYS 29 Cb 1.32 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1xqq h LYS 29 CO 0.05 1.23 -0.41 0.82 -0.57 0.00 0.00 179.45 180.57 1xqq h ILE 30 N 0.13 1.29 -0.00 1.86 2.04 -1.47 0.22 117.51 121.59 1xqq h ILE 30 Ca -0.14 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.17 1xqq h ILE 30 Cb 1.89 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.43 1xqq h ILE 30 CO 0.20 0.51 -0.23 -0.61 0.00 0.00 0.00 178.15 178.03 1xqq h GLN 31 N 0.58 -0.34 -0.02 2.37 4.15 -1.36 -0.98 115.11 119.51 1xqq h GLN 31 Ca 0.05 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1xqq h GLN 31 Cb 0.95 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1xqq h GLN 31 CO 0.09 -0.23 -0.23 0.22 -1.93 0.00 0.00 178.83 176.75 1xqq h ASP 32 N -0.35 0.03 0.28 -0.69 3.58 0.31 -0.84 116.42 118.73 1xqq h ASP 32 Ca 0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1xqq h ASP 32 Cb 0.44 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1xqq h ASP 32 CO -0.21 0.26 -0.13 0.11 -2.88 0.00 0.00 179.24 176.39 1xqq h LYS 33 N 0.03 -0.36 0.01 0.28 1.57 -0.58 -3.42 116.57 114.09 1xqq h LYS 33 Ca 0.00 0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.44 1xqq h LYS 33 Cb 0.42 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1xqq h LYS 33 CO 0.03 -0.24 -2.06 0.39 -0.57 0.00 0.00 179.45 177.00 1xqq n GLU 34 N -3.05 0.60 0.00 3.15 -0.58 -0.37 -5.01 120.64 115.37 1xqq n GLU 34 Ca -0.05 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1xqq n GLU 34 Cb 0.15 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.45 1.45 3.52 0.62 0.00 -0.33 -5.05 105.19 106.86 1xqq n GLY 35 Ca -0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 5.14 0.75 -0.61 1.01 -1.26 -4.99 121.20 119.24 1xqq s ILE 36 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1xqq s ILE 36 Cb 0.00 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1xqq s ILE 36 CO 0.00 -0.21 1.09 -2.84 0.00 0.00 0.00 174.94 172.98 1xqq s PRO 37 N 2.06 2.48 0.43 2.79 0.02 -1.26 -3.29 135.00 138.23 1xqq s PRO 37 Ca 0.12 0.61 0.12 0.00 0.02 0.00 0.00 61.00 61.87 1xqq s PRO 37 Cb -0.17 -1.97 0.92 0.00 0.02 0.00 0.00 34.50 33.31 1xqq s PRO 37 CO 0.12 -1.33 1.98 -1.35 -0.33 0.00 0.00 177.00 176.09 1xqq h PRO 38 N -0.88 0.14 -0.61 5.54 0.11 -1.97 -2.55 132.00 131.78 1xqq h PRO 38 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xqq h PRO 38 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xqq h PRO 38 CO 0.61 0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 1xqq n ASP 39 N -4.33 3.50 0.16 -2.05 8.00 -1.26 -3.16 116.55 117.41 1xqq n ASP 39 Ca -0.01 -1.99 0.04 0.00 0.71 0.00 0.00 54.79 53.54 1xqq n ASP 39 Cb 0.23 -0.40 0.09 0.00 -0.02 0.00 0.00 41.12 41.02 1xqq n ASP 39 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1xqq h GLN 40 N 3.95 0.00 -6.70 -1.24 5.75 -1.81 -3.49 115.11 111.57 1xqq h GLN 40 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 1xqq h GLN 40 Cb 0.90 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.42 1xqq h GLN 40 CO 0.00 0.42 0.20 -0.65 -2.65 0.00 0.00 178.83 176.15 1xqq s GLN 41 N -3.08 4.36 -0.17 1.69 -0.21 -1.19 -2.53 119.66 118.54 1xqq s GLN 41 Ca 0.04 1.03 -0.03 0.00 0.02 0.00 0.00 55.36 56.42 1xqq s GLN 41 Cb 0.08 -2.82 0.06 0.00 1.00 0.00 0.00 33.01 31.33 1xqq s GLN 41 CO 0.73 0.33 0.05 0.50 -2.12 0.00 0.00 175.29 174.78 1xqq s ARG 42 N -2.07 0.48 -0.27 2.91 3.52 -0.14 -4.96 118.95 118.41 1xqq s ARG 42 Ca 0.46 -0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.68 1xqq s ARG 42 Cb -0.17 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1xqq s ARG 42 CO 0.22 -0.60 0.28 -0.51 -0.81 0.00 0.00 175.30 173.87 1xqq s LEU 43 N 1.95 4.04 -0.17 -0.88 1.43 -1.26 -1.95 118.68 121.83 1xqq s LEU 43 Ca 0.01 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1xqq s LEU 43 Cb -0.16 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1xqq s LEU 43 CO -0.08 -0.11 0.14 -0.63 0.23 0.00 0.00 176.35 175.91 1xqq s ILE 44 N 1.86 5.44 -0.19 -0.59 -1.09 0.05 -1.31 121.20 125.36 1xqq s ILE 44 Ca 0.11 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1xqq s ILE 44 Cb -0.16 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1xqq s ILE 44 CO 0.10 0.50 -0.09 0.12 -1.23 0.00 0.00 174.94 174.35 1xqq s PHE 45 N -0.14 2.20 0.00 3.97 5.36 -0.58 -1.04 117.98 127.76 1xqq s PHE 45 Ca 0.11 -1.44 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 1xqq s PHE 45 Cb -0.11 -1.54 0.00 0.00 -0.34 0.00 0.00 43.02 41.02 1xqq s PHE 45 CO 0.00 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.06 1xqq n ALA 46 N 4.74 0.00 -0.90 11.12 0.00 -1.26 -1.33 120.51 132.88 1xqq n ALA 46 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xqq n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.49 3.84 0.00 0.00 -1.26 -5.08 105.19 101.19 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 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N -0.07 3.69 -0.19 1.61 2.20 -0.44 -5.07 119.74 121.46 1xqq s LYS 48 Ca 0.00 -0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.43 1xqq s LYS 48 Cb 0.00 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1xqq s LYS 48 CO 0.00 0.65 0.29 -1.14 -0.36 0.00 0.00 175.35 174.79 1xqq s GLN 49 N -0.71 4.20 0.40 4.03 0.74 -1.26 -1.52 119.66 125.54 1xqq s GLN 49 Ca 0.15 0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 1xqq s GLN 49 Cb -0.13 -3.47 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 1xqq s GLN 49 CO 0.04 0.14 0.83 -0.51 -0.55 0.00 0.00 175.29 175.24 1xqq s LEU 50 N 0.79 3.90 -0.08 3.68 1.43 -0.43 -5.01 118.68 122.96 1xqq s LEU 50 Ca 0.15 1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 54.56 1xqq s LEU 50 Cb -0.13 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1xqq s LEU 50 CO 0.05 -0.35 0.19 -1.61 0.23 0.00 0.00 176.35 174.85 1xqq s GLU 51 N -3.44 3.50 0.17 1.70 2.02 -1.26 -4.76 118.70 116.64 1xqq s GLU 51 Ca 0.56 -0.10 -0.13 0.00 0.02 0.00 0.00 54.97 55.32 1xqq s GLU 51 Cb -0.10 -3.17 0.07 0.00 0.10 0.00 0.00 34.13 31.04 1xqq s GLU 51 CO 0.23 0.74 1.80 -0.44 0.02 0.00 0.00 175.26 177.61 1xqq h ASP 52 N 4.66 0.69 -0.90 -0.19 3.32 -1.97 -2.98 116.42 119.05 1xqq h ASP 52 Ca -0.53 -0.07 -0.56 0.00 0.02 0.00 0.00 57.03 55.89 1xqq h ASP 52 Cb 1.22 -0.17 -0.29 0.00 0.22 0.00 0.00 39.33 40.31 1xqq h ASP 52 CO 0.61 0.56 0.55 0.61 -1.72 0.00 0.00 179.24 179.84 1xqq n GLY 53 N -1.10 5.34 3.51 2.75 0.00 -1.26 -0.41 105.19 114.02 1xqq n GLY 53 Ca 0.03 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.56 1.82 0.33 1.61 0.52 -1.13 -4.99 118.95 113.56 1xqq s ARG 54 Ca 0.59 -1.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1xqq s ARG 54 Cb 0.48 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 34.00 1xqq s ARG 54 CO 0.04 0.37 0.42 0.95 0.02 0.00 0.00 175.30 177.10 1xqq s THR 55 N -2.10 3.99 0.24 0.02 -4.23 -1.26 -2.13 115.64 110.17 1xqq s THR 55 Ca 0.27 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 1xqq s THR 55 Cb -0.07 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.62 1xqq s THR 55 CO 0.15 -0.17 1.83 -0.07 -0.54 0.00 0.00 174.62 175.82 1xqq h LEU 56 N 0.99 0.77 -1.36 4.79 3.38 -1.43 -2.92 115.31 119.54 1xqq h LEU 56 Ca -0.46 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1xqq h LEU 56 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.54 0.47 -0.05 -1.28 0.09 0.00 0.00 178.44 178.22 1xqq h SER 57 N 0.90 0.34 0.01 -0.43 0.87 -1.67 -0.20 113.55 113.38 1xqq h SER 57 Ca 0.39 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1xqq h SER 57 Cb 0.26 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1xqq h SER 57 CO -0.21 0.44 -0.00 0.44 -0.53 0.00 0.00 176.83 176.97 1xqq h ASP 58 N 0.36 -0.01 0.16 6.23 3.32 -1.82 -2.75 116.42 121.91 1xqq h ASP 58 Ca 0.08 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1xqq h ASP 58 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1xqq h ASP 58 CO 0.01 0.40 0.00 -1.22 -1.72 0.00 0.00 179.24 176.72 1xqq n TYR 59 N -4.90 0.00 -3.31 4.55 4.02 -1.20 -4.91 117.16 111.41 1xqq n TYR 59 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1xqq n TYR 59 Cb 0.22 -0.09 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1xqq n ASN 60 N -1.09 -6.79 -4.21 7.72 5.15 -1.04 -5.03 115.26 109.98 1xqq n ASN 60 Ca 0.18 -0.42 -0.39 0.00 -0.60 0.00 0.00 54.58 53.35 1xqq n ASN 60 Cb 0.13 -4.24 -0.10 0.00 -0.53 0.00 0.00 39.78 35.04 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 -3.06 3.90 0.32 -1.44 1.01 -0.10 -5.02 121.20 116.81 1xqq s ILE 61 Ca 0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 1xqq s ILE 61 Cb -0.02 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 39.02 1xqq s ILE 61 CO 0.80 -0.60 0.44 0.00 0.00 0.00 0.00 174.94 175.57 1xqq n GLN 62 N 4.81 0.20 -1.21 2.79 6.02 -1.26 -4.42 117.38 124.31 1xqq n GLN 62 Ca -0.08 -1.10 -0.34 0.00 -0.01 0.00 0.00 57.00 55.48 1xqq n GLN 62 Cb 0.42 -0.32 0.11 0.00 1.02 0.00 0.00 30.24 31.48 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -1.82 0.33 -1.93 -1.09 2.85 -1.26 -3.80 118.16 111.43 1xqq n LYS 63 Ca 0.07 0.18 -0.16 0.00 -1.05 0.00 0.00 58.31 57.35 1xqq n LYS 63 Cb 0.25 -2.39 -0.03 0.00 -0.65 0.00 0.00 35.03 32.20 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N -2.82 -1.19 -2.84 -1.58 1.02 0.12 -4.95 120.64 108.40 1xqq n GLU 64 Ca 0.14 0.89 -0.41 0.00 -0.02 0.00 0.00 57.16 57.76 1xqq n GLU 64 Cb 0.50 -5.18 -0.04 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.53 7.25 -0.40 1.62 0.01 -1.25 -4.67 113.70 113.74 1xqq s SER 65 Ca 0.00 1.51 -0.27 0.00 1.31 0.00 0.00 55.95 58.50 1xqq s SER 65 Cb 0.00 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1xqq s SER 65 CO 0.00 -0.17 0.98 -0.89 0.41 0.00 0.00 173.24 173.57 1xqq s THR 66 N 0.72 4.49 0.06 1.44 2.01 -1.26 -0.95 115.64 122.16 1xqq s THR 66 Ca 0.46 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.64 1xqq s THR 66 Cb -0.20 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1xqq s THR 66 CO 0.25 -0.67 0.15 -0.76 -0.69 0.00 0.00 174.62 172.90 1xqq s LEU 67 N 3.71 4.10 -0.24 4.42 1.02 0.41 -4.84 118.68 127.27 1xqq s LEU 67 Ca 0.40 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.68 1xqq s LEU 67 Cb -0.11 -2.71 0.02 0.00 0.02 0.00 0.00 46.19 43.41 1xqq s LEU 67 CO 0.22 0.18 -0.05 -1.00 0.02 0.00 0.00 176.35 175.72 1xqq s HIS 68 N -1.43 3.03 -0.13 0.29 3.76 -0.21 -0.86 115.29 119.74 1xqq s HIS 68 Ca 0.32 -1.35 -0.25 0.00 -0.15 0.00 0.00 55.06 53.63 1xqq s HIS 68 Cb -0.13 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 1xqq s HIS 68 CO 0.24 -0.67 0.81 -1.17 -0.85 0.00 0.00 174.74 173.10 1xqq s LEU 69 N 1.38 4.23 -0.16 0.89 2.96 -0.10 -0.77 118.68 127.10 1xqq s LEU 69 Ca 0.02 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 1xqq s LEU 69 Cb -0.16 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1xqq s LEU 69 CO -0.04 -0.31 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.79 1xqq s VAL 70 N 1.71 2.26 0.07 1.68 1.01 -0.82 -3.75 120.40 122.56 1xqq s VAL 70 Ca 0.39 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1xqq s VAL 70 Cb -0.17 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1xqq s VAL 70 CO 0.15 0.53 0.35 -0.76 0.00 0.00 0.00 175.10 175.38 1xqq s LEU 71 N 0.97 4.33 -0.07 3.92 1.43 -1.26 -0.97 118.68 127.04 1xqq s LEU 71 Ca -0.03 0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1xqq s LEU 71 Cb -0.15 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 1xqq s LEU 71 CO -0.05 0.16 0.12 0.03 0.23 0.00 0.00 176.35 176.85 1xqq h ARG 72 N 3.55 -0.09 0.09 1.70 3.08 -1.86 -3.40 114.38 117.44 1xqq h ARG 72 Ca -0.48 0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.30 1xqq h ARG 72 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1xqq h ARG 72 CO 0.68 -0.06 -1.45 -0.07 -1.07 0.00 0.00 179.97 178.00 1xqq h LEU 73 N -0.80 0.30 -8.42 3.04 3.38 -1.95 -3.47 115.31 107.39 1xqq h LEU 73 Ca -0.01 -0.80 -0.58 0.00 0.09 0.00 0.00 57.88 56.58 1xqq h LEU 73 Cb 0.07 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1xqq h LEU 73 CO 0.02 1.62 0.80 -0.60 0.09 0.00 0.00 178.44 180.36 1xqq s ARG 74 N -2.46 3.28 -0.47 1.13 3.52 -1.26 -4.88 118.95 117.81 1xqq s ARG 74 Ca -0.22 -0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 1xqq s ARG 74 Cb 0.05 -4.12 0.38 0.00 -1.56 0.00 0.00 34.95 29.69 1xqq s ARG 74 CO 0.73 -1.80 1.95 0.41 -0.81 0.00 0.00 175.30 175.78 1xqq n GLY 75 N 5.23 4.79 0.00 8.12 0.00 -1.26 -4.58 105.19 117.49 1xqq n GLY 75 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93