#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 3.82 0.27 3.17 -0.21 -1.26 -1.33 119.66 124.12 1xqq s GLN 2 Ca 0.00 -0.38 0.08 0.00 0.02 0.00 0.00 55.36 55.09 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 0.32 -0.11 0.96 -2.12 0.00 0.00 175.29 174.34 1xqq s ILE 3 N 0.21 1.91 -0.18 1.08 -5.25 -0.36 -1.35 121.20 117.27 1xqq s ILE 3 Ca 0.03 -2.22 -0.05 0.00 -0.99 0.00 0.00 60.65 57.42 1xqq s ILE 3 Cb -0.13 -2.33 -0.03 0.00 2.95 0.00 0.00 42.46 42.92 1xqq s ILE 3 CO 0.01 -0.39 0.01 -0.36 -1.79 0.00 0.00 174.94 172.42 1xqq s PHE 4 N -2.85 3.10 -0.28 1.37 0.08 -0.27 -1.12 117.98 118.01 1xqq s PHE 4 Ca 0.28 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.13 1xqq s PHE 4 Cb 0.01 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.50 1xqq s PHE 4 CO 0.12 -0.03 0.01 0.08 -0.10 0.00 0.00 175.22 175.30 1xqq s VAL 5 N 0.55 1.58 0.48 -0.44 1.01 -0.16 -0.03 120.40 123.40 1xqq s VAL 5 Ca -0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1xqq s VAL 5 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1xqq s VAL 5 CO 0.02 -0.37 0.75 -0.75 0.00 0.00 0.00 175.10 174.75 1xqq s LYS 6 N 1.31 3.27 0.00 2.72 2.20 0.16 -0.63 119.74 128.76 1xqq s LYS 6 Ca 0.02 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1xqq s LYS 6 Cb -0.19 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1xqq s LYS 6 CO -0.11 -0.29 0.00 0.25 -0.36 0.00 0.00 175.35 174.83 1xqq n THR 7 N -2.23 0.00 -0.04 3.43 -2.24 -1.11 0.20 114.28 112.29 1xqq n THR 7 Ca 0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1xqq n THR 7 Cb 0.56 -0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 1xqq n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xqq n LEU 8 N 0.00 2.50 -0.07 3.22 4.77 -1.25 -4.24 117.00 121.92 1xqq n LEU 8 Ca 0.00 0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1xqq n LEU 8 Cb 0.00 -1.06 0.15 0.00 -2.33 0.00 0.00 43.42 40.18 1xqq n LEU 8 CO 0.00 0.74 0.79 0.71 -1.33 0.00 0.00 177.39 178.30 1xqq h THR 9 N -0.19 1.26 0.00 -5.08 1.35 -1.97 -3.47 112.91 104.81 1xqq h THR 9 Ca -0.44 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1xqq h THR 9 Cb 1.86 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1xqq h THR 9 CO -0.01 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1xqq n GLY 10 N -0.44 1.10 3.58 5.82 0.00 -1.26 -5.10 105.19 108.89 1xqq n GLY 10 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.23 -0.00 1.61 2.20 -1.26 -4.68 119.74 120.83 1xqq s LYS 11 Ca 0.00 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 1xqq s LYS 11 Cb 0.00 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 1xqq s LYS 11 CO 0.00 -2.01 0.93 0.99 -0.36 0.00 0.00 175.35 174.90 1xqq s THR 12 N 6.72 4.88 0.21 3.43 2.01 -1.26 -2.75 115.64 128.88 1xqq s THR 12 Ca 0.63 1.96 0.07 0.00 0.31 0.00 0.00 61.69 64.65 1xqq s THR 12 Cb -0.14 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1xqq s THR 12 CO 0.27 0.19 0.12 0.27 -0.69 0.00 0.00 174.62 174.78 1xqq s ILE 13 N 0.90 4.23 -0.27 1.82 -4.36 0.20 -4.92 121.20 118.81 1xqq s ILE 13 Ca 0.49 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.55 1xqq s ILE 13 Cb -0.21 -3.21 0.07 0.00 1.25 0.00 0.00 42.46 40.36 1xqq s ILE 13 CO 0.26 -0.22 -0.01 -0.89 0.24 0.00 0.00 174.94 174.32 1xqq s THR 14 N -1.95 1.57 0.04 8.37 2.01 -1.26 -0.98 115.64 123.44 1xqq s THR 14 Ca 0.31 -1.46 0.07 0.00 0.31 0.00 0.00 61.69 60.92 1xqq s THR 14 Cb -0.09 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1xqq s THR 14 CO 0.23 -0.28 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.92 1xqq s LEU 15 N 1.34 2.17 -0.48 4.42 1.43 -0.28 -4.92 118.68 122.35 1xqq s LEU 15 Ca -0.00 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1xqq s LEU 15 Cb -0.19 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.16 1xqq s LEU 15 CO -0.10 0.15 0.50 -1.61 0.23 0.00 0.00 176.35 175.53 1xqq s GLU 16 N -1.17 3.05 0.23 1.70 2.02 -1.26 -1.23 118.70 122.05 1xqq s GLU 16 Ca 0.07 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 54.04 1xqq s GLU 16 Cb -0.09 -4.10 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 1xqq s GLU 16 CO 0.02 -1.10 -0.13 0.14 0.02 0.00 0.00 175.26 174.21 1xqq s VAL 17 N 2.14 1.79 0.41 2.63 -7.23 -0.44 -4.92 120.40 114.78 1xqq s VAL 17 Ca 0.10 -2.21 0.08 0.00 -1.81 0.00 0.00 61.98 58.13 1xqq s VAL 17 Cb -0.21 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1xqq s VAL 17 CO 0.10 -0.49 0.45 -1.61 -0.31 0.00 0.00 175.10 173.23 1xqq s GLU 18 N -3.65 2.68 0.34 4.82 0.41 -1.26 -0.41 118.70 121.62 1xqq s GLU 18 Ca 0.25 -1.39 0.25 0.00 -0.41 0.00 0.00 54.97 53.68 1xqq s GLU 18 Cb 0.00 -2.55 0.71 0.00 -1.78 0.00 0.00 34.13 30.51 1xqq s GLU 18 CO 0.09 -0.20 1.73 -1.35 -0.49 0.00 0.00 175.26 175.04 1xqq h PRO 19 N 0.88 0.00 0.00 0.39 0.11 -1.94 -2.34 132.00 129.10 1xqq h PRO 19 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xqq h PRO 19 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xqq h PRO 19 CO 0.52 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.74 1xqq n SER 20 N -2.66 0.00 -4.78 -2.05 7.64 -1.26 -1.56 113.62 108.95 1xqq n SER 20 Ca 0.04 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.59 1xqq n SER 20 Cb 0.43 -0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.64 7.04 0.49 6.43 1.01 -0.88 -4.83 116.67 123.29 1xqq s ASP 21 Ca 0.21 1.96 -0.19 0.00 0.71 0.00 0.00 52.55 55.24 1xqq s ASP 21 Cb 0.16 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.42 1xqq s ASP 21 CO 0.37 -0.29 1.00 0.42 0.21 0.00 0.00 175.17 176.89 1xqq s THR 22 N -1.62 4.17 0.24 -1.27 -4.23 -1.26 -1.45 115.64 110.21 1xqq s THR 22 Ca 0.54 1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 62.22 1xqq s THR 22 Cb -0.21 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 22 CO 0.27 -0.41 1.79 0.40 -0.54 0.00 0.00 174.62 176.12 1xqq h ILE 23 N 1.36 1.25 -0.84 2.99 2.04 -0.77 -2.55 117.51 120.99 1xqq h ILE 23 Ca -0.48 -0.83 0.21 0.00 1.00 0.00 0.00 64.86 64.75 1xqq h ILE 23 Cb 1.20 0.45 -0.14 0.00 -0.74 0.00 0.00 36.82 37.59 1xqq h ILE 23 CO 0.60 0.33 0.18 -0.08 0.00 0.00 0.00 178.15 179.18 1xqq h GLU 24 N 1.04 0.19 0.00 2.37 4.81 -1.34 -0.86 114.58 120.79 1xqq h GLU 24 Ca 0.23 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1xqq h GLU 24 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1xqq h GLU 24 CO -0.01 0.12 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.25 1xqq h ASN 25 N 0.19 0.00 -0.24 1.04 2.35 -1.75 -2.66 115.58 114.52 1xqq h ASN 25 Ca 0.50 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.19 1xqq h ASN 25 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1xqq h ASN 25 CO -0.64 0.23 -0.12 0.58 -1.65 0.00 0.00 177.43 175.83 1xqq h VAL 26 N 0.00 1.30 -0.99 2.81 2.07 -0.91 -3.00 116.25 117.53 1xqq h VAL 26 Ca -0.00 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.41 1xqq h VAL 26 Cb 0.90 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 1xqq h VAL 26 CO 0.03 0.37 0.63 0.11 0.02 0.00 0.00 177.57 178.73 1xqq h LYS 27 N 0.23 1.05 -0.87 1.57 1.57 -1.39 -1.60 116.57 117.13 1xqq h LYS 27 Ca 0.05 -0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1xqq h LYS 27 Cb 0.62 -0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 1xqq h LYS 27 CO 0.04 0.69 0.47 0.00 -0.57 0.00 0.00 179.45 180.08 1xqq h ALA 28 N 1.48 1.30 0.00 3.86 0.00 -1.39 -2.28 119.26 122.23 1xqq h ALA 28 Ca 0.45 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1xqq h ALA 28 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xqq h ALA 28 CO -0.21 -0.01 0.00 1.17 0.00 0.00 0.00 179.25 180.19 1xqq n LYS 29 N -4.81 0.23 0.04 0.00 3.00 -0.70 -1.63 118.16 114.29 1xqq n LYS 29 Ca 0.17 0.20 -0.01 0.00 -0.00 0.00 0.00 58.31 58.67 1xqq n LYS 29 Cb 0.40 -1.78 -0.07 0.00 0.00 0.00 0.00 35.03 33.58 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1xqq h ILE 30 N 0.00 0.64 -0.08 3.15 2.04 -1.18 -2.61 117.51 119.47 1xqq h ILE 30 Ca 0.00 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 1xqq h ILE 30 Cb 0.70 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1xqq h ILE 30 CO 0.00 0.37 0.03 -0.61 0.00 0.00 0.00 178.15 177.93 1xqq h GLN 31 N 0.00 0.13 -0.86 2.37 4.15 -1.13 0.19 115.11 119.96 1xqq h GLN 31 Ca -0.14 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.41 1xqq h GLN 31 Cb 1.61 -0.02 -0.16 0.00 0.21 0.00 0.00 27.48 29.12 1xqq h GLN 31 CO 0.06 0.29 -0.27 0.22 -1.93 0.00 0.00 178.83 177.19 1xqq h ASP 32 N -0.05 -0.99 0.00 -0.69 3.58 -1.44 -3.11 116.42 113.71 1xqq h ASP 32 Ca 0.03 0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1xqq h ASP 32 Cb 0.21 0.59 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1xqq h ASP 32 CO -0.00 -0.29 -0.10 1.17 -2.88 0.00 0.00 179.24 177.14 1xqq n LYS 33 N -5.53 0.09 0.03 0.28 3.00 -0.98 -4.65 118.16 110.39 1xqq n LYS 33 Ca 0.11 0.29 -0.14 0.00 -0.00 0.00 0.00 58.31 58.56 1xqq n LYS 33 Cb 0.42 -0.91 -0.14 0.00 0.00 0.00 0.00 35.03 34.40 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 -0.19 0.16 -2.92 1.64 4.39 -1.31 -3.50 114.58 112.85 1xqq h GLU 34 Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1xqq h GLU 34 Cb 0.10 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1xqq h GLU 34 CO 0.00 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.20 1xqq n GLY 35 N 1.67 0.06 3.10 -3.84 0.00 0.52 -5.00 105.19 101.70 1xqq n GLY 35 Ca -0.18 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1xqq n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xqq s ILE 36 N -2.97 1.33 0.65 -0.61 2.07 -1.26 -4.98 121.20 115.43 1xqq s ILE 36 Ca 0.00 -0.64 -0.13 0.00 -1.41 0.00 0.00 60.65 58.47 1xqq s ILE 36 Cb 0.00 -1.17 -0.01 0.00 0.13 0.00 0.00 42.46 41.41 1xqq s ILE 36 CO 0.00 0.39 1.06 -2.16 -1.91 0.00 0.00 174.94 172.32 1xqq s PRO 37 N 0.24 3.10 0.29 3.50 0.04 -1.26 -3.96 135.00 136.95 1xqq s PRO 37 Ca -0.08 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.30 1xqq s PRO 37 Cb -0.13 -2.01 0.96 0.00 0.04 0.00 0.00 34.50 33.36 1xqq s PRO 37 CO 0.03 -0.98 1.76 -1.35 0.04 0.00 0.00 177.00 176.50 1xqq h PRO 38 N -0.16 0.00 0.00 0.56 0.11 -1.94 -0.70 132.00 129.87 1xqq h PRO 38 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 38 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.57 0.00 -0.75 -0.44 -0.21 0.00 0.00 178.00 177.17 1xqq h ASP 39 N 0.00 0.00 0.70 -2.05 3.32 -1.95 -3.12 116.42 113.32 1xqq h ASP 39 Ca 0.00 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 56.75 1xqq h ASP 39 Cb 0.50 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1xqq h ASP 39 CO 0.00 0.05 -1.43 1.56 -1.72 0.00 0.00 179.24 177.70 1xqq h GLN 40 N 0.00 0.00 -6.65 3.56 4.20 -1.31 -3.45 115.11 111.46 1xqq h GLN 40 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1xqq h GLN 40 Cb 0.88 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.60 1xqq h GLN 40 CO 0.00 0.39 0.97 -0.65 -0.67 0.00 0.00 178.83 178.87 1xqq s GLN 41 N -2.82 3.66 -0.48 1.46 -0.21 -1.11 -1.07 119.66 119.09 1xqq s GLN 41 Ca -0.03 0.63 -0.15 0.00 0.02 0.00 0.00 55.36 55.83 1xqq s GLN 41 Cb 0.08 -3.95 0.08 0.00 1.00 0.00 0.00 33.01 30.22 1xqq s GLN 41 CO 0.81 -1.47 0.40 0.50 -2.12 0.00 0.00 175.29 173.41 1xqq s ARG 42 N 4.65 2.96 -0.05 2.91 3.52 -0.05 -4.94 118.95 127.96 1xqq s ARG 42 Ca 0.51 -1.40 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 1xqq s ARG 42 Cb -0.09 -4.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1xqq s ARG 42 CO 0.32 -1.06 0.29 -0.51 -0.81 0.00 0.00 175.30 173.52 1xqq s LEU 43 N 1.62 4.43 0.03 -0.88 1.43 -1.26 -0.04 118.68 124.00 1xqq s LEU 43 Ca 0.04 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1xqq s LEU 43 Cb -0.25 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 1xqq s LEU 43 CO 0.06 0.35 -0.08 -0.63 0.23 0.00 0.00 176.35 176.28 1xqq s ILE 44 N -1.09 0.61 -0.30 -0.59 -1.09 -0.80 -0.76 121.20 117.18 1xqq s ILE 44 Ca 0.21 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1xqq s ILE 44 Cb -0.14 -0.62 0.08 0.00 -1.58 0.00 0.00 42.46 40.20 1xqq s ILE 44 CO 0.10 -0.18 -0.01 0.12 -1.23 0.00 0.00 174.94 173.74 1xqq s PHE 45 N -0.95 3.24 0.00 3.97 5.36 0.04 -1.55 117.98 128.10 1xqq s PHE 45 Ca -0.05 -2.51 0.00 0.00 -0.96 0.00 0.00 56.93 53.41 1xqq s PHE 45 Cb -0.07 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 1xqq s PHE 45 CO 0.00 -0.90 0.00 0.00 -1.46 0.00 0.00 175.22 172.87 1xqq n ALA 46 N 4.42 0.00 0.04 11.12 0.00 -1.26 -0.68 120.51 134.14 1xqq n ALA 46 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.23 3.76 0.00 0.00 -1.26 -4.96 105.19 101.50 1xqq n GLY 47 Ca 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.98 4.56 0.40 1.61 1.02 0.14 -5.07 119.74 119.41 1xqq s LYS 48 Ca -0.03 1.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.89 1xqq s LYS 48 Cb 0.09 -3.32 -0.10 0.00 -0.52 0.00 0.00 37.83 33.97 1xqq s LYS 48 CO 0.81 0.39 0.97 -1.14 -0.92 0.00 0.00 175.35 175.47 1xqq s GLN 49 N -0.50 4.29 -0.33 1.68 0.74 -1.26 -0.78 119.66 123.50 1xqq s GLN 49 Ca 0.38 1.28 -0.06 0.00 0.05 0.00 0.00 55.36 57.02 1xqq s GLN 49 Cb -0.22 -2.43 0.04 0.00 1.10 0.00 0.00 33.01 31.50 1xqq s GLN 49 CO 0.25 0.01 0.08 -0.51 -0.55 0.00 0.00 175.29 174.57 1xqq s LEU 50 N -2.76 4.19 0.32 3.68 1.43 0.06 -4.83 118.68 120.77 1xqq s LEU 50 Ca 0.58 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 1xqq s LEU 50 Cb -0.15 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 1xqq s LEU 50 CO 0.20 -0.30 0.90 -1.61 0.23 0.00 0.00 176.35 175.77 1xqq s GLU 51 N 1.38 4.46 0.07 1.70 2.02 -1.26 -4.51 118.70 122.56 1xqq s GLU 51 Ca -0.02 1.20 -0.23 0.00 0.02 0.00 0.00 54.97 55.94 1xqq s GLU 51 Cb -0.19 -2.71 -0.15 0.00 0.10 0.00 0.00 34.13 31.18 1xqq s GLU 51 CO 0.02 0.25 1.62 -0.44 0.02 0.00 0.00 175.26 176.73 1xqq h ASP 52 N 2.99 0.05 -0.27 -0.19 3.32 -1.97 -3.12 116.42 117.23 1xqq h ASP 52 Ca -0.47 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1xqq h ASP 52 Cb 1.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1xqq h ASP 52 CO 0.64 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 1xqq n GLY 53 N -0.75 1.33 3.94 2.75 0.00 -1.26 -1.02 105.19 110.18 1xqq n GLY 53 Ca -0.07 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.66 3.38 0.65 1.61 0.52 -1.18 -4.93 118.95 117.34 1xqq s ARG 54 Ca 0.22 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.06 1xqq s ARG 54 Cb 0.14 -2.63 0.08 0.00 0.52 0.00 0.00 34.95 33.07 1xqq s ARG 54 CO 0.10 0.03 0.91 0.95 0.02 0.00 0.00 175.30 177.31 1xqq s THR 55 N -2.39 2.36 -0.04 0.02 -4.23 -1.26 -0.86 115.64 109.23 1xqq s THR 55 Ca 0.42 -0.58 0.18 0.00 -1.18 0.00 0.00 61.69 60.54 1xqq s THR 55 Cb -0.10 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 71.09 1xqq s THR 55 CO 0.37 0.00 1.59 -0.07 -0.54 0.00 0.00 174.62 175.97 1xqq h LEU 56 N -0.32 0.00 -0.41 4.79 3.38 -0.99 -3.24 115.31 118.53 1xqq h LEU 56 Ca -0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 1xqq h LEU 56 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1xqq h LEU 56 CO 0.47 0.40 -0.66 -1.28 0.09 0.00 0.00 178.44 177.46 1xqq h SER 57 N 0.00 0.61 -1.00 -0.43 0.87 -1.55 -0.64 113.55 111.41 1xqq h SER 57 Ca -0.00 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.22 1xqq h SER 57 Cb 1.13 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1xqq h SER 57 CO 0.05 1.11 0.66 0.44 -0.53 0.00 0.00 176.83 178.56 1xqq h ASP 58 N 0.38 1.11 -0.04 6.23 3.32 -1.83 -2.20 116.42 123.39 1xqq h ASP 58 Ca -0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xqq h ASP 58 Cb 1.23 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1xqq h ASP 58 CO 0.12 0.77 0.00 -1.22 -1.72 0.00 0.00 179.24 177.19 1xqq n TYR 59 N -4.42 0.05 -3.65 4.55 4.01 -1.16 -4.95 117.16 111.59 1xqq n TYR 59 Ca 0.13 -0.02 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 1xqq n TYR 59 Cb 0.07 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.35 -1.92 -4.50 7.72 4.13 -0.83 -4.98 115.26 114.54 1xqq n ASN 60 Ca 0.18 -0.81 -0.42 0.00 1.68 0.00 0.00 54.58 55.21 1xqq n ASN 60 Cb 0.21 -4.16 -0.10 0.00 -1.54 0.00 0.00 39.78 34.19 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 -3.61 5.23 0.54 2.41 1.01 -0.27 -5.02 121.20 121.49 1xqq s ILE 61 Ca 0.07 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1xqq s ILE 61 Cb -0.02 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.65 1xqq s ILE 61 CO 0.80 -0.20 0.63 -1.10 0.00 0.00 0.00 174.94 175.08 1xqq s GLN 62 N 1.81 2.37 0.47 2.79 -0.21 -1.26 -4.65 119.66 120.97 1xqq s GLN 62 Ca 0.07 -1.69 -0.21 0.00 0.02 0.00 0.00 55.36 53.55 1xqq s GLN 62 Cb -0.18 -2.49 -0.08 0.00 1.00 0.00 0.00 33.01 31.26 1xqq s GLN 62 CO 0.11 -0.68 1.07 -1.59 -2.12 0.00 0.00 175.29 172.08 1xqq s LYS 63 N -4.48 3.82 -1.98 2.91 -2.85 -1.26 -2.52 119.74 113.37 1xqq s LYS 63 Ca 0.52 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.96 1xqq s LYS 63 Cb -0.05 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.51 1xqq s LYS 63 CO 0.33 -0.44 0.00 0.39 0.10 0.00 0.00 175.35 175.73 1xqq n GLU 64 N -0.77 -1.34 -2.12 1.78 1.02 -0.45 -4.99 120.64 113.78 1xqq n GLU 64 Ca 0.08 1.16 -0.30 0.00 -0.02 0.00 0.00 57.16 58.08 1xqq n GLU 64 Cb 0.51 -5.47 0.01 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.78 6.14 -0.19 1.62 0.01 -1.05 -4.73 113.70 112.72 1xqq s SER 65 Ca 0.00 1.22 -0.01 0.00 1.31 0.00 0.00 55.95 58.47 1xqq s SER 65 Cb 0.00 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.92 1xqq s SER 65 CO 0.00 -0.84 -0.14 -0.89 0.41 0.00 0.00 173.24 171.78 1xqq s THR 66 N -3.06 2.60 0.16 1.44 2.01 -1.26 -1.11 115.64 116.42 1xqq s THR 66 Ca 0.53 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1xqq s THR 66 Cb -0.11 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1xqq s THR 66 CO 0.51 0.49 0.28 -0.76 -0.69 0.00 0.00 174.62 174.46 1xqq s LEU 67 N 1.31 4.30 -0.15 4.42 1.43 0.95 -4.73 118.68 126.22 1xqq s LEU 67 Ca 0.04 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1xqq s LEU 67 Cb -0.14 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1xqq s LEU 67 CO -0.08 0.04 -0.01 -1.00 0.23 0.00 0.00 176.35 175.53 1xqq s HIS 68 N -1.77 3.10 -0.48 0.29 3.76 -0.59 0.36 115.29 119.94 1xqq s HIS 68 Ca 0.34 -0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 1xqq s HIS 68 Cb -0.11 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.66 1xqq s HIS 68 CO 0.28 0.09 0.68 -1.17 -0.85 0.00 0.00 174.74 173.77 1xqq s LEU 69 N 0.17 4.63 0.11 0.89 2.96 0.13 -1.91 118.68 125.66 1xqq s LEU 69 Ca 0.00 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1xqq s LEU 69 Cb -0.13 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1xqq s LEU 69 CO 0.02 -0.89 0.23 -0.69 -1.32 0.00 0.00 176.35 173.70 1xqq s VAL 70 N 2.91 5.23 -0.23 1.68 1.01 0.94 -3.89 120.40 128.05 1xqq s VAL 70 Ca 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1xqq s VAL 70 Cb -0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1xqq s VAL 70 CO 0.16 0.01 0.13 -0.22 0.00 0.00 0.00 175.10 175.18 1xqq s LEU 71 N -2.90 3.97 -0.04 3.92 2.96 -1.26 -0.87 118.68 124.47 1xqq s LEU 71 Ca 0.34 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1xqq s LEU 71 Cb -0.12 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1xqq s LEU 71 CO 0.27 0.09 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.69 1xqq s ARG 72 N 0.92 1.27 0.00 1.98 3.52 -0.23 -4.89 118.95 121.52 1xqq s ARG 72 Ca 0.06 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1xqq s ARG 72 Cb -0.13 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1xqq s ARG 72 CO 0.03 0.06 0.00 1.28 -0.81 0.00 0.00 175.30 175.86 1xqq n LEU 73 N 3.58 0.00 -4.86 -0.88 4.77 -1.26 -4.27 117.00 114.08 1xqq n LEU 73 Ca -0.21 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.42 1xqq n LEU 73 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1xqq n LEU 73 CO 0.25 -0.08 0.14 -0.13 -1.33 0.00 0.00 177.39 176.23 1xqq s ARG 74 N 0.00 3.84 0.00 3.23 0.52 -1.26 -4.88 118.95 120.40 1xqq s ARG 74 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1xqq s ARG 74 Cb 0.00 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1xqq s ARG 74 CO 0.00 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.25 1xqq n GLY 75 N 0.84 -1.37 0.00 -3.53 0.00 -1.26 -5.26 105.19 94.62 1xqq n GLY 75 Ca -0.07 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93