#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 4.26 0.24 3.17 -2.07 -1.26 -1.48 119.66 122.51 1xqq s GLN 2 Ca 0.00 0.59 0.03 0.00 -1.82 0.00 0.00 55.36 54.16 1xqq s GLN 2 Cb 0.00 -3.35 -0.05 0.00 -1.09 0.00 0.00 33.01 28.51 1xqq s GLN 2 CO 0.00 0.35 0.02 0.96 -1.32 0.00 0.00 175.29 175.30 1xqq s ILE 3 N -0.07 0.90 -0.15 3.63 -4.36 0.08 -0.24 121.20 121.00 1xqq s ILE 3 Ca 0.28 -2.02 -0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1xqq s ILE 3 Cb -0.17 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 1xqq s ILE 3 CO 0.14 -0.26 -0.01 -0.36 0.24 0.00 0.00 174.94 174.70 1xqq s PHE 4 N -3.51 3.11 -0.29 1.37 0.08 -0.42 -0.83 117.98 117.49 1xqq s PHE 4 Ca 0.30 -0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.24 1xqq s PHE 4 Cb 0.06 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1xqq s PHE 4 CO 0.09 0.10 -0.03 0.08 -0.10 0.00 0.00 175.22 175.37 1xqq s VAL 5 N 0.14 2.71 -0.31 -0.44 1.01 -0.03 -0.80 120.40 122.67 1xqq s VAL 5 Ca 0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 1xqq s VAL 5 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1xqq s VAL 5 CO 0.02 -0.12 0.25 -0.75 0.00 0.00 0.00 175.10 174.51 1xqq s LYS 6 N 1.19 3.73 0.79 2.72 2.20 0.90 -2.07 119.74 129.21 1xqq s LYS 6 Ca -0.06 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.02 1xqq s LYS 6 Cb -0.20 -3.73 0.07 0.00 -1.51 0.00 0.00 37.83 32.45 1xqq s LYS 6 CO -0.03 -0.34 1.10 0.95 -0.36 0.00 0.00 175.35 176.67 1xqq s THR 7 N 1.81 3.10 0.14 3.43 -4.23 -0.36 -1.63 115.64 117.91 1xqq s THR 7 Ca 0.08 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1xqq s THR 7 Cb -0.17 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.58 1xqq s THR 7 CO 0.11 -0.47 1.65 0.25 -0.54 0.00 0.00 174.62 175.63 1xqq h LEU 8 N -1.07 -0.57 0.00 4.79 5.85 -1.63 -3.28 115.31 119.41 1xqq h LEU 8 Ca -0.47 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1xqq h LEU 8 Cb 1.27 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1xqq h LEU 8 CO 0.59 -0.22 0.00 0.35 -0.34 0.00 0.00 178.44 178.82 1xqq n THR 9 N -5.33 0.00 0.00 1.05 -2.24 -1.26 -5.01 114.28 101.50 1xqq n THR 9 Ca -0.02 1.48 0.00 0.00 -2.27 0.00 0.00 64.05 63.24 1xqq n THR 9 Cb 0.24 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.02 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N -0.98 -1.39 3.58 3.38 0.00 -1.24 -5.15 105.19 103.39 1xqq n GLY 10 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.39 -0.39 1.61 2.20 -1.26 -4.85 119.74 120.43 1xqq s LYS 11 Ca 0.00 -0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 54.98 1xqq s LYS 11 Cb 0.00 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.46 1xqq s LYS 11 CO 0.00 0.44 0.39 0.99 -0.36 0.00 0.00 175.35 176.80 1xqq s THR 12 N -0.15 5.14 -0.18 3.43 2.01 -1.26 -1.22 115.64 123.41 1xqq s THR 12 Ca 0.04 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1xqq s THR 12 Cb -0.13 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1xqq s THR 12 CO 0.02 -0.30 -0.02 0.27 -0.69 0.00 0.00 174.62 173.90 1xqq s ILE 13 N 2.02 3.93 -0.20 1.82 -4.36 -0.88 -4.95 121.20 118.59 1xqq s ILE 13 Ca 0.11 -0.33 -0.23 0.00 -0.26 0.00 0.00 60.65 59.93 1xqq s ILE 13 Cb -0.17 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1xqq s ILE 13 CO 0.12 0.46 0.76 -0.89 0.24 0.00 0.00 174.94 175.63 1xqq s THR 14 N 0.67 4.92 -0.20 8.37 2.01 -1.26 -0.85 115.64 129.30 1xqq s THR 14 Ca -0.01 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 63.40 1xqq s THR 14 Cb -0.14 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1xqq s THR 14 CO 0.02 0.03 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.73 1xqq s LEU 15 N 2.26 3.05 -0.30 4.42 2.96 -0.01 -4.95 118.68 126.12 1xqq s LEU 15 Ca 0.34 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1xqq s LEU 15 Cb -0.16 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1xqq s LEU 15 CO 0.10 0.04 0.16 -1.61 -1.32 0.00 0.00 176.35 173.72 1xqq s GLU 16 N 1.16 3.57 0.29 1.98 2.02 -1.26 -0.74 118.70 125.71 1xqq s GLU 16 Ca 0.02 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.49 1xqq s GLU 16 Cb -0.15 -3.59 -0.06 0.00 0.10 0.00 0.00 34.13 30.44 1xqq s GLU 16 CO 0.00 -0.32 0.01 0.14 0.02 0.00 0.00 175.26 175.10 1xqq s VAL 17 N 1.67 1.33 0.34 2.63 -7.23 -0.55 -4.92 120.40 113.66 1xqq s VAL 17 Ca 0.06 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1xqq s VAL 17 Cb -0.16 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1xqq s VAL 17 CO 0.08 -0.17 0.16 -1.61 -0.31 0.00 0.00 175.10 173.25 1xqq s GLU 18 N -3.83 2.43 0.44 4.82 2.02 -1.26 -0.58 118.70 122.74 1xqq s GLU 18 Ca 0.32 -1.50 0.23 0.00 0.02 0.00 0.00 54.97 54.04 1xqq s GLU 18 Cb 0.06 -2.22 0.99 0.00 0.10 0.00 0.00 34.13 33.06 1xqq s GLU 18 CO 0.13 0.12 1.86 -1.00 0.02 0.00 0.00 175.26 176.39 1xqq h PRO 19 N 1.51 0.00 -0.00 0.39 0.13 -1.96 -2.88 132.00 129.19 1xqq h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xqq h PRO 19 CO 0.62 0.24 -0.08 0.43 -0.23 0.00 0.00 178.00 178.98 1xqq n SER 20 N -3.51 0.28 -4.70 1.44 7.64 -1.26 -1.01 113.62 112.50 1xqq n SER 20 Ca -0.01 -0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.10 1xqq n SER 20 Cb 0.40 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1xqq n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xqq n ASP 21 N -1.12 4.03 -4.84 6.43 8.00 -1.09 -4.84 116.55 123.12 1xqq n ASP 21 Ca 0.14 1.01 -0.31 0.00 0.71 0.00 0.00 54.79 56.33 1xqq n ASP 21 Cb 0.27 -1.55 0.02 0.00 -0.02 0.00 0.00 41.12 39.83 1xqq n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xqq s THR 22 N 2.34 4.29 0.38 -3.53 -4.23 -1.26 -2.15 115.64 111.49 1xqq s THR 22 Ca 0.80 0.86 0.06 0.00 -1.18 0.00 0.00 61.69 62.23 1xqq s THR 22 Cb -0.49 -3.60 0.24 0.00 1.34 0.00 0.00 72.50 69.99 1xqq s THR 22 CO 0.36 -0.86 2.01 0.40 -0.54 0.00 0.00 174.62 175.99 1xqq h ILE 23 N -0.12 1.14 -0.65 2.99 1.08 -0.75 -0.84 117.51 120.36 1xqq h ILE 23 Ca -0.45 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1xqq h ILE 23 Cb 1.20 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 35.43 1xqq h ILE 23 CO 0.59 0.15 -0.38 1.21 -0.69 0.00 0.00 178.15 179.03 1xqq n GLU 24 N -4.42 -0.29 0.11 2.37 2.13 -0.73 -1.93 120.64 117.88 1xqq n GLU 24 Ca 0.03 1.03 -0.03 0.00 0.66 0.00 0.00 57.16 58.86 1xqq n GLU 24 Cb 0.10 -1.52 0.18 0.00 0.27 0.00 0.00 31.44 30.48 1xqq n GLU 24 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1xqq h ASN 25 N 0.00 0.19 -0.38 4.31 4.21 -1.67 -3.03 115.58 119.21 1xqq h ASN 25 Ca 0.10 -0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.46 1xqq h ASN 25 Cb 0.27 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1xqq h ASN 25 CO -0.61 0.68 -0.00 0.58 -1.29 0.00 0.00 177.43 176.79 1xqq h VAL 26 N 0.13 1.26 -0.76 2.81 2.07 -0.66 -2.33 116.25 118.77 1xqq h VAL 26 Ca 0.00 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1xqq h VAL 26 Cb 0.97 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1xqq h VAL 26 CO 0.08 0.33 0.46 0.11 0.02 0.00 0.00 177.57 178.57 1xqq h LYS 27 N 0.49 0.84 -0.39 1.57 1.57 -1.33 -2.62 116.57 116.69 1xqq h LYS 27 Ca 0.11 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1xqq h LYS 27 CO 0.02 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 1xqq h ALA 28 N 1.36 1.27 -0.52 3.86 0.00 -1.40 -0.36 119.26 123.45 1xqq h ALA 28 Ca 0.33 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xqq h ALA 28 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xqq h ALA 28 CO -0.16 0.49 0.35 0.87 0.00 0.00 0.00 179.25 180.80 1xqq h LYS 29 N 0.60 0.66 -0.01 0.00 1.57 -1.06 -1.49 116.57 116.84 1xqq h LYS 29 Ca 0.12 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 1xqq h LYS 29 Cb 0.38 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xqq h LYS 29 CO 0.01 0.43 -0.95 0.82 -0.57 0.00 0.00 179.45 179.19 1xqq h ILE 30 N 0.68 1.37 -0.53 1.86 2.04 -1.21 -3.13 117.51 118.58 1xqq h ILE 30 Ca 0.20 -2.37 0.10 0.00 1.00 0.00 0.00 64.86 63.79 1xqq h ILE 30 Cb -0.03 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 1xqq h ILE 30 CO -0.05 0.72 0.36 -0.61 0.00 0.00 0.00 178.15 178.57 1xqq h GLN 31 N 0.28 0.28 -0.13 2.37 4.15 -0.51 0.39 115.11 121.95 1xqq h GLN 31 Ca -0.09 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.13 1xqq h GLN 31 Cb 1.59 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.22 1xqq h GLN 31 CO 0.17 0.19 -0.67 0.22 -1.93 0.00 0.00 178.83 176.81 1xqq h ASP 32 N 0.29 0.59 0.11 -0.69 3.58 -1.24 0.11 116.42 119.16 1xqq h ASP 32 Ca 0.25 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1xqq h ASP 32 Cb 0.59 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1xqq h ASP 32 CO -0.06 1.10 -0.05 0.11 -2.88 0.00 0.00 179.24 177.46 1xqq h LYS 33 N 0.36 -0.14 0.00 0.28 1.57 -1.35 -3.43 116.57 113.86 1xqq h LYS 33 Ca -0.02 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1xqq h LYS 33 Cb 1.24 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1xqq h LYS 33 CO 0.12 0.13 -0.59 0.39 -0.57 0.00 0.00 179.45 178.93 1xqq n GLU 34 N -5.03 0.25 0.00 3.15 -0.58 0.06 -5.07 120.64 113.42 1xqq n GLU 34 Ca -0.08 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1xqq n GLU 34 Cb 0.18 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 2.51 0.70 3.73 0.62 0.00 0.01 -5.02 105.19 107.75 1xqq n GLY 35 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.74 5.37 0.50 -0.61 1.01 -1.26 -5.03 121.20 120.44 1xqq s ILE 36 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1xqq s ILE 36 Cb 0.00 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 1xqq s ILE 36 CO 0.00 0.45 1.11 -2.84 0.00 0.00 0.00 174.94 173.66 1xqq s PRO 37 N 0.28 3.59 0.45 2.79 0.02 -1.26 -4.41 135.00 136.47 1xqq s PRO 37 Ca 0.08 1.58 0.31 0.00 0.02 0.00 0.00 61.00 62.99 1xqq s PRO 37 Cb -0.11 -2.14 1.31 0.00 0.02 0.00 0.00 34.50 33.57 1xqq s PRO 37 CO -0.02 -0.65 1.91 -1.35 -0.33 0.00 0.00 177.00 176.57 1xqq h PRO 38 N 1.54 0.00 0.00 5.54 0.11 -1.92 -2.39 132.00 134.88 1xqq h PRO 38 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1xqq h PRO 38 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.58 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.90 1xqq h ASP 39 N 0.00 0.00 0.45 -2.05 5.19 -2.00 -2.71 116.42 115.30 1xqq h ASP 39 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.40 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1xqq h ASP 39 CO 0.00 0.03 -1.64 1.67 -3.12 0.00 0.00 179.24 176.18 1xqq n GLN 40 N -3.15 0.64 -2.85 3.56 7.27 -0.91 -4.80 117.38 117.14 1xqq n GLN 40 Ca 0.00 0.04 -0.42 0.00 0.07 0.00 0.00 57.00 56.69 1xqq n GLN 40 Cb 0.30 -1.68 -0.04 0.00 2.41 0.00 0.00 30.24 31.23 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -3.15 4.17 -0.34 3.69 -0.21 -1.03 -0.06 119.66 122.74 1xqq s GLN 41 Ca -0.05 0.98 -0.03 0.00 0.02 0.00 0.00 55.36 56.29 1xqq s GLN 41 Cb 0.10 -3.65 0.07 0.00 1.00 0.00 0.00 33.01 30.53 1xqq s GLN 41 CO 0.84 -0.56 0.08 0.50 -2.12 0.00 0.00 175.29 174.03 1xqq s ARG 42 N 2.93 2.30 -0.18 2.91 3.52 -0.71 -4.94 118.95 124.79 1xqq s ARG 42 Ca 0.36 -1.44 -0.22 0.00 -0.13 0.00 0.00 55.73 54.31 1xqq s ARG 42 Cb -0.15 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1xqq s ARG 42 CO 0.08 -0.78 0.66 -0.51 -0.81 0.00 0.00 175.30 173.94 1xqq s LEU 43 N 1.23 4.17 -0.31 -0.88 1.43 -1.26 -1.06 118.68 122.00 1xqq s LEU 43 Ca -0.00 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1xqq s LEU 43 Cb -0.21 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1xqq s LEU 43 CO -0.02 -0.27 0.01 -0.63 0.23 0.00 0.00 176.35 175.67 1xqq s ILE 44 N 1.81 2.66 -0.44 -0.59 1.01 0.44 -1.52 121.20 124.58 1xqq s ILE 44 Ca 0.31 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.05 1xqq s ILE 44 Cb -0.16 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.68 1xqq s ILE 44 CO 0.11 -0.26 0.50 0.12 0.00 0.00 0.00 174.94 175.42 1xqq s PHE 45 N 1.13 3.14 0.00 3.97 5.36 0.64 -0.75 117.98 131.46 1xqq s PHE 45 Ca -0.01 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1xqq s PHE 45 Cb -0.20 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1xqq s PHE 45 CO -0.04 -0.79 0.00 0.00 -1.46 0.00 0.00 175.22 172.93 1xqq n ALA 46 N 5.79 0.00 0.16 11.12 0.00 -1.26 -0.85 120.51 135.47 1xqq n ALA 46 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1xqq n ALA 46 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.68 3.46 0.00 0.00 -1.26 -5.03 105.19 101.68 1xqq n GLY 47 Ca 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.56 3.62 -0.12 1.61 2.20 -0.03 -5.08 119.74 121.37 1xqq s LYS 48 Ca 0.04 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 54.95 1xqq s LYS 48 Cb 0.03 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1xqq s LYS 48 CO 0.07 0.09 0.41 -0.65 -0.36 0.00 0.00 175.35 174.92 1xqq s GLN 49 N 0.76 4.28 0.12 4.03 -0.21 -1.26 -0.26 119.66 127.13 1xqq s GLN 49 Ca -0.01 0.33 -0.04 0.00 0.02 0.00 0.00 55.36 55.67 1xqq s GLN 49 Cb -0.14 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 1xqq s GLN 49 CO 0.02 0.22 0.34 -0.51 -2.12 0.00 0.00 175.29 173.24 1xqq s LEU 50 N 0.46 4.29 0.08 2.90 1.43 -0.57 -4.99 118.68 122.27 1xqq s LEU 50 Ca 0.23 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 1xqq s LEU 50 Cb -0.15 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1xqq s LEU 50 CO 0.08 0.08 -0.06 -1.61 0.23 0.00 0.00 176.35 175.07 1xqq s GLU 51 N -2.62 2.35 0.13 1.70 2.02 -1.26 -4.69 118.70 116.33 1xqq s GLU 51 Ca 0.40 -0.90 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 1xqq s GLU 51 Cb -0.12 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1xqq s GLU 51 CO 0.25 0.54 1.78 -0.44 0.02 0.00 0.00 175.26 177.42 1xqq h ASP 52 N 3.76 0.31 -0.38 -0.19 3.32 -1.99 -3.25 116.42 118.02 1xqq h ASP 52 Ca -0.48 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 1xqq h ASP 52 Cb 1.17 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1xqq h ASP 52 CO 0.55 0.24 0.19 0.61 -1.72 0.00 0.00 179.24 179.11 1xqq n GLY 53 N -1.15 2.79 3.59 2.75 0.00 -1.26 -1.77 105.19 110.14 1xqq n GLY 53 Ca -0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.57 2.13 0.58 1.61 1.81 -1.23 -4.96 118.95 117.32 1xqq s ARG 54 Ca 0.25 -1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 53.01 1xqq s ARG 54 Cb 0.20 -2.20 0.03 0.00 -0.45 0.00 0.00 34.95 32.53 1xqq s ARG 54 CO 0.06 0.44 0.84 0.95 -0.68 0.00 0.00 175.30 176.90 1xqq s THR 55 N -1.70 2.91 0.16 0.02 -4.23 -1.26 -1.15 115.64 110.39 1xqq s THR 55 Ca 0.25 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1xqq s THR 55 Cb -0.09 -3.14 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 1xqq s THR 55 CO 0.16 -0.12 1.41 -0.07 -0.54 0.00 0.00 174.62 175.46 1xqq h LEU 56 N -0.08 0.59 -0.61 4.79 3.38 -1.14 -2.99 115.31 119.25 1xqq h LEU 56 Ca -0.44 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.26 1xqq h LEU 56 Cb 1.29 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1xqq h LEU 56 CO 0.56 1.13 -0.30 -1.28 0.09 0.00 0.00 178.44 178.64 1xqq h SER 57 N 0.34 -1.06 -0.80 -0.43 0.87 -1.29 -1.46 113.55 109.71 1xqq h SER 57 Ca -0.03 0.22 0.17 0.00 -1.23 0.00 0.00 61.79 60.92 1xqq h SER 57 Cb 1.31 0.55 -0.11 0.00 -0.44 0.00 0.00 62.40 63.71 1xqq h SER 57 CO 0.13 -0.29 0.31 0.44 -0.53 0.00 0.00 176.83 176.89 1xqq h ASP 58 N -0.13 0.24 1.83 6.23 3.32 -1.83 -1.32 116.42 124.76 1xqq h ASP 58 Ca 0.25 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1xqq h ASP 58 Cb 0.54 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1xqq h ASP 58 CO -0.68 0.04 0.00 1.88 -1.72 0.00 0.00 179.24 178.76 1xqq h TYR 59 N 0.40 0.00 -4.64 4.55 0.05 -1.56 -3.48 116.97 112.29 1xqq h TYR 59 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1xqq h TYR 59 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1xqq h TYR 59 CO -0.18 0.00 -0.06 0.09 -1.05 0.00 0.00 178.16 176.96 1xqq n ASN 60 N -2.93 -6.07 -4.20 3.88 3.02 -0.50 -5.05 115.26 103.41 1xqq n ASN 60 Ca 0.04 0.03 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 1xqq n ASN 60 Cb 0.50 -4.02 -0.15 0.00 -0.61 0.00 0.00 39.78 35.50 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -2.84 2.75 0.50 2.41 1.01 -0.59 -5.03 121.20 119.41 1xqq s ILE 61 Ca 0.03 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.91 1xqq s ILE 61 Cb -0.01 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.21 1xqq s ILE 61 CO 0.52 0.36 0.67 -1.10 0.00 0.00 0.00 174.94 175.40 1xqq s GLN 62 N 1.35 2.55 0.98 2.79 -0.21 -1.26 -4.46 119.66 121.40 1xqq s GLN 62 Ca 0.03 -1.47 -0.13 0.00 0.02 0.00 0.00 55.36 53.81 1xqq s GLN 62 Cb -0.15 -2.68 0.07 0.00 1.00 0.00 0.00 33.01 31.25 1xqq s GLN 62 CO -0.07 -0.57 0.47 0.36 -2.12 0.00 0.00 175.29 173.36 1xqq n LYS 63 N -2.04 -0.61 -3.90 2.91 2.85 -1.26 -3.87 118.16 112.24 1xqq n LYS 63 Ca 0.11 -0.14 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 1xqq n LYS 63 Cb 0.60 -1.92 0.01 0.00 -0.65 0.00 0.00 35.03 33.07 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 -2.24 -4.28 -4.23 -1.58 1.02 0.67 -4.97 120.64 105.03 1xqq n GLU 64 Ca 0.06 0.51 -0.16 0.00 -0.02 0.00 0.00 57.16 57.55 1xqq n GLU 64 Cb 0.55 -5.02 -0.11 0.00 -0.02 0.00 0.00 31.44 26.84 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 -4.00 1.85 -0.20 1.62 0.15 -1.25 -4.91 113.70 106.96 1xqq s SER 65 Ca 0.24 -0.85 0.01 0.00 0.70 0.00 0.00 55.95 56.05 1xqq s SER 65 Cb -0.12 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1xqq s SER 65 CO 0.86 -0.20 -0.17 -0.89 1.20 0.00 0.00 173.24 174.03 1xqq s THR 66 N -2.44 2.21 0.01 6.45 2.01 -1.26 -1.31 115.64 121.32 1xqq s THR 66 Ca 0.10 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 1xqq s THR 66 Cb -0.03 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1xqq s THR 66 CO 0.02 0.45 0.18 -0.76 -0.69 0.00 0.00 174.62 173.82 1xqq s LEU 67 N 1.28 4.31 -0.12 4.42 1.43 0.02 -4.72 118.68 125.30 1xqq s LEU 67 Ca 0.03 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1xqq s LEU 67 Cb -0.14 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1xqq s LEU 67 CO -0.11 0.23 -0.03 -2.28 0.23 0.00 0.00 176.35 174.39 1xqq s HIS 68 N -1.37 3.04 -0.53 0.29 5.65 0.07 -0.07 115.29 122.36 1xqq s HIS 68 Ca 0.29 -0.13 -0.09 0.00 0.25 0.00 0.00 55.06 55.38 1xqq s HIS 68 Cb -0.13 -1.88 0.14 0.00 -1.18 0.00 0.00 32.58 29.53 1xqq s HIS 68 CO 0.21 0.14 0.41 -1.17 -0.65 0.00 0.00 174.74 173.69 1xqq s LEU 69 N -0.11 5.79 0.16 8.88 2.96 -0.65 -0.42 118.68 135.29 1xqq s LEU 69 Ca 0.03 -2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 51.78 1xqq s LEU 69 Cb -0.13 -2.03 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 1xqq s LEU 69 CO 0.02 -0.65 0.39 -0.69 -1.32 0.00 0.00 176.35 174.11 1xqq s VAL 70 N 1.08 5.15 -0.07 1.68 1.01 -0.22 -1.55 120.40 127.47 1xqq s VAL 70 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1xqq s VAL 70 Cb -0.24 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1xqq s VAL 70 CO -0.02 0.01 0.06 -0.76 0.00 0.00 0.00 175.10 174.40 1xqq s LEU 71 N -2.72 3.90 0.16 3.92 1.43 -1.26 -1.73 118.68 122.38 1xqq s LEU 71 Ca 0.42 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 1xqq s LEU 71 Cb -0.12 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.02 1xqq s LEU 71 CO 0.25 0.36 1.03 -0.60 0.23 0.00 0.00 176.35 177.62 1xqq s ARG 72 N -1.15 4.66 -0.08 1.70 3.52 0.92 -4.91 118.95 123.60 1xqq s ARG 72 Ca 0.16 1.60 0.04 0.00 -0.13 0.00 0.00 55.73 57.40 1xqq s ARG 72 Cb -0.12 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1xqq s ARG 72 CO 0.06 0.17 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.00 1xqq s LEU 73 N -0.32 1.97 -0.07 -0.88 1.43 -1.26 -4.95 118.68 114.61 1xqq s LEU 73 Ca 0.48 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 1xqq s LEU 73 Cb -0.27 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1xqq s LEU 73 CO 0.33 0.14 1.15 -0.13 0.23 0.00 0.00 176.35 178.07 1xqq s ARG 74 N 0.29 4.37 0.00 1.70 0.52 -1.26 -4.36 118.95 120.22 1xqq s ARG 74 Ca -0.14 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 1xqq s ARG 74 Cb -0.16 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1xqq s ARG 74 CO 0.06 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.39 1xqq n GLY 75 N 3.28 -1.29 0.85 -3.53 0.00 -1.26 -5.35 105.19 97.90 1xqq n GLY 75 Ca 0.10 0.47 0.12 0.00 0.00 0.00 0.00 46.02 46.71 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93