#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 4.61 0.28 2.12 -0.21 -1.26 -2.59 119.66 122.60 1xqq s GLN 2 Ca 0.00 1.25 0.05 0.00 0.02 0.00 0.00 55.36 56.68 1xqq s GLN 2 Cb 0.00 -3.34 -0.06 0.00 1.00 0.00 0.00 33.01 30.61 1xqq s GLN 2 CO 0.00 0.33 -0.01 0.96 -2.12 0.00 0.00 175.29 174.45 1xqq s ILE 3 N -0.32 1.36 -0.29 1.08 -4.36 -0.98 -0.79 121.20 116.91 1xqq s ILE 3 Ca 0.41 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1xqq s ILE 3 Cb -0.22 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.05 1xqq s ILE 3 CO 0.27 -0.22 0.02 -0.36 0.24 0.00 0.00 174.94 174.88 1xqq s PHE 4 N -3.20 2.64 -0.50 1.37 0.08 -0.90 -2.06 117.98 115.42 1xqq s PHE 4 Ca 0.31 -2.15 -0.18 0.00 0.12 0.00 0.00 56.93 55.03 1xqq s PHE 4 Cb 0.06 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1xqq s PHE 4 CO 0.12 -0.86 0.58 0.08 -0.10 0.00 0.00 175.22 175.04 1xqq s VAL 5 N 1.30 4.95 -0.19 -0.44 1.01 -0.25 -0.59 120.40 126.19 1xqq s VAL 5 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1xqq s VAL 5 Cb -0.18 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1xqq s VAL 5 CO -0.12 -0.78 -0.01 -0.75 0.00 0.00 0.00 175.10 173.44 1xqq s LYS 6 N 2.43 3.63 0.92 2.72 2.20 -0.13 -0.81 119.74 130.71 1xqq s LYS 6 Ca 0.13 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 55.07 1xqq s LYS 6 Cb -0.21 -3.03 0.21 0.00 -1.51 0.00 0.00 37.83 33.29 1xqq s LYS 6 CO 0.10 0.08 1.25 0.25 -0.36 0.00 0.00 175.35 176.68 1xqq n THR 7 N 4.04 0.00 -0.11 3.43 -2.24 -0.92 -1.75 114.28 116.72 1xqq n THR 7 Ca -0.17 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.52 1xqq n THR 7 Cb 0.52 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.22 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.69 0.00 3.22 5.85 -1.93 -3.00 115.31 120.15 1xqq h LEU 8 Ca -0.41 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 1xqq h LEU 8 Cb 1.13 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1xqq h LEU 8 CO 0.29 0.93 -0.60 0.71 -0.34 0.00 0.00 178.44 179.43 1xqq h THR 9 N 0.45 0.16 0.00 1.05 1.35 -1.94 -3.48 112.91 110.50 1xqq h THR 9 Ca 0.08 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1xqq h THR 9 Cb 0.66 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1xqq h THR 9 CO 0.04 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1xqq n GLY 10 N 1.18 0.81 3.19 5.82 0.00 -1.13 -5.10 105.19 109.95 1xqq n GLY 10 Ca 0.01 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.89 3.03 -0.56 1.61 2.20 -1.26 -4.91 119.74 117.95 1xqq s LYS 11 Ca 0.00 -0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 1xqq s LYS 11 Cb 0.00 -2.80 0.06 0.00 -1.51 0.00 0.00 37.83 33.58 1xqq s LYS 11 CO 0.00 -0.27 0.81 0.99 -0.36 0.00 0.00 175.35 176.53 1xqq s THR 12 N 1.34 4.59 -0.63 3.43 2.01 -1.26 -2.16 115.64 122.96 1xqq s THR 12 Ca 0.04 -0.28 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 1xqq s THR 12 Cb -0.14 -4.48 0.11 0.00 0.01 0.00 0.00 72.50 67.99 1xqq s THR 12 CO -0.08 -1.09 0.75 -0.63 -0.69 0.00 0.00 174.62 172.88 1xqq s ILE 13 N 3.38 4.84 -0.09 1.82 1.01 0.01 -4.91 121.20 127.25 1xqq s ILE 13 Ca 0.21 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 1xqq s ILE 13 Cb -0.17 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 1xqq s ILE 13 CO 0.13 -1.16 1.32 -0.89 0.00 0.00 0.00 174.94 174.34 1xqq s THR 14 N 2.60 4.08 0.07 2.92 2.01 -1.26 -1.08 115.64 124.98 1xqq s THR 14 Ca 0.14 1.37 0.07 0.00 0.31 0.00 0.00 61.69 63.58 1xqq s THR 14 Cb -0.22 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1xqq s THR 14 CO 0.04 -0.07 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.02 1xqq s LEU 15 N 3.00 2.90 -0.13 4.42 2.01 -0.87 -4.98 118.68 125.02 1xqq s LEU 15 Ca 0.59 -0.39 -0.05 0.00 0.01 0.00 0.00 54.13 54.30 1xqq s LEU 15 Cb -0.26 -1.71 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 1xqq s LEU 15 CO 0.21 0.21 0.03 -1.83 1.01 0.00 0.00 176.35 175.98 1xqq s GLU 16 N -1.89 3.49 0.17 1.70 -1.05 -1.26 -2.31 118.70 117.55 1xqq s GLU 16 Ca 0.18 -0.37 -0.01 0.00 -0.15 0.00 0.00 54.97 54.63 1xqq s GLU 16 Cb -0.11 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.58 1xqq s GLU 16 CO 0.10 0.49 0.23 1.33 0.95 0.00 0.00 175.26 178.37 1xqq n VAL 17 N 2.82 0.00 -4.07 1.83 0.24 -1.07 -4.97 118.33 113.11 1xqq n VAL 17 Ca -0.18 -0.83 -0.09 0.00 -2.04 0.00 0.00 64.34 61.21 1xqq n VAL 17 Cb 0.53 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.37 0.83 0.60 7.34 0.41 -1.26 0.12 118.70 124.37 1xqq s GLU 18 Ca 0.14 -1.28 0.35 0.00 -0.41 0.00 0.00 54.97 53.76 1xqq s GLU 18 Cb -0.00 0.26 1.95 0.00 -1.78 0.00 0.00 34.13 34.55 1xqq s GLU 18 CO 0.10 -0.22 2.25 -1.35 -0.49 0.00 0.00 175.26 175.55 1xqq h PRO 19 N 2.92 0.00 -0.01 0.39 0.11 -1.95 -1.72 132.00 131.75 1xqq h PRO 19 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.60 0.02 -0.43 -1.13 -0.21 0.00 0.00 178.00 176.85 1xqq n SER 20 N -3.53 1.28 -4.80 -2.05 3.41 -1.26 -1.74 113.62 104.94 1xqq n SER 20 Ca -0.03 -1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 57.27 1xqq n SER 20 Cb 0.11 0.35 0.11 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.61 4.05 0.63 4.04 1.01 -0.65 -4.88 116.67 118.26 1xqq s ASP 21 Ca 0.19 1.16 -0.03 0.00 0.71 0.00 0.00 52.55 54.58 1xqq s ASP 21 Cb 0.18 -1.82 0.05 0.00 1.01 0.00 0.00 42.92 42.34 1xqq s ASP 21 CO 0.59 -2.23 0.90 0.42 0.21 0.00 0.00 175.17 175.06 1xqq s THR 22 N -3.21 2.46 -0.77 -1.27 -4.23 -1.26 -2.48 115.64 104.88 1xqq s THR 22 Ca 0.62 -0.47 0.25 0.00 -1.18 0.00 0.00 61.69 60.91 1xqq s THR 22 Cb -0.15 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1xqq s THR 22 CO 0.54 0.00 1.42 -0.38 -0.54 0.00 0.00 174.62 175.66 1xqq n ILE 23 N -2.63 0.24 -0.07 2.99 5.41 0.01 -2.56 119.36 122.74 1xqq n ILE 23 Ca 0.08 -0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.57 1xqq n ILE 23 Cb 0.60 -0.08 -0.02 0.00 -0.71 0.00 0.00 39.64 39.43 1xqq n ILE 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xqq h GLU 24 N 0.00 0.32 -0.95 0.38 4.81 -0.73 -3.02 114.58 115.38 1xqq h GLU 24 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1xqq h GLU 24 Cb 0.66 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 1xqq h GLU 24 CO 0.00 0.21 0.60 -0.97 -0.73 0.00 0.00 179.01 178.12 1xqq h ASN 25 N 0.33 0.91 -0.05 1.04 -0.73 -1.77 0.17 115.58 115.47 1xqq h ASN 25 Ca 0.11 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.35 1xqq h ASN 25 Cb -0.00 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.38 1xqq h ASN 25 CO -0.05 0.53 -0.31 0.58 -0.37 0.00 0.00 177.43 177.81 1xqq h VAL 26 N 1.01 0.32 -0.01 2.57 2.07 -1.57 0.62 116.25 121.26 1xqq h VAL 26 Ca 0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.95 1xqq h VAL 26 Cb 0.33 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1xqq h VAL 26 CO -0.22 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.42 1xqq h LYS 27 N -0.43 0.02 -0.01 1.57 1.57 -1.23 -0.07 116.57 117.98 1xqq h LYS 27 Ca 0.08 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1xqq h LYS 27 Cb 0.54 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xqq h LYS 27 CO -0.29 0.07 -0.31 0.00 -0.57 0.00 0.00 179.45 178.35 1xqq h ALA 28 N 1.93 1.46 0.00 3.86 0.00 -0.27 -2.00 119.26 124.24 1xqq h ALA 28 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xqq h ALA 28 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xqq h ALA 28 CO 0.01 0.40 -0.92 1.63 0.00 0.00 0.00 179.25 180.37 1xqq n LYS 29 N -4.16 0.27 -0.08 0.00 5.02 0.17 -2.73 118.16 116.65 1xqq n LYS 29 Ca -0.02 0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1xqq n LYS 29 Cb 0.36 -1.61 0.22 0.00 -0.02 0.00 0.00 35.03 33.98 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xqq h ILE 30 N 0.00 1.22 0.00 -0.18 2.04 -1.01 -2.34 117.51 117.24 1xqq h ILE 30 Ca 0.00 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1xqq h ILE 30 Cb 0.72 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1xqq h ILE 30 CO 0.00 0.31 -0.06 -0.61 0.00 0.00 0.00 178.15 177.79 1xqq h GLN 31 N 0.69 0.00 0.00 2.37 4.15 -1.23 0.31 115.11 121.41 1xqq h GLN 31 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1xqq h GLN 31 Cb 0.35 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1xqq h GLN 31 CO 0.01 0.06 -0.27 0.22 -1.93 0.00 0.00 178.83 176.91 1xqq h ASP 32 N 0.00 0.00 0.61 -0.69 3.58 -1.38 -3.26 116.42 115.28 1xqq h ASP 32 Ca -0.00 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1xqq h ASP 32 Cb 0.43 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1xqq h ASP 32 CO 0.01 0.70 -0.30 0.11 -2.88 0.00 0.00 179.24 176.88 1xqq h LYS 33 N -1.00 -0.80 0.00 0.28 1.57 -1.48 -3.40 116.57 111.75 1xqq h LYS 33 Ca -0.02 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1xqq h LYS 33 Cb 0.35 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xqq h LYS 33 CO -0.01 -0.53 -0.07 0.93 -0.57 0.00 0.00 179.45 179.19 1xqq h GLU 34 N -1.02 0.00 0.00 3.15 4.39 -0.63 -3.49 114.58 116.99 1xqq h GLU 34 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xqq h GLU 34 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1xqq h GLU 34 CO 0.14 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.58 1xqq n GLY 35 N 1.73 1.63 3.73 -3.84 0.00 -0.95 -5.00 105.19 102.49 1xqq n GLY 35 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.77 5.12 0.74 -0.61 1.01 -1.25 -4.93 121.20 119.50 1xqq s ILE 36 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 60.65 61.59 1xqq s ILE 36 Cb 0.00 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.65 1xqq s ILE 36 CO 0.00 0.34 1.14 -2.84 0.00 0.00 0.00 174.94 173.58 1xqq s PRO 37 N 0.45 2.21 0.50 2.79 0.02 -1.26 -3.66 135.00 136.05 1xqq s PRO 37 Ca 0.29 1.48 0.28 0.00 0.02 0.00 0.00 61.00 63.06 1xqq s PRO 37 Cb -0.16 -1.87 1.25 0.00 0.02 0.00 0.00 34.50 33.74 1xqq s PRO 37 CO 0.13 -1.72 1.96 -1.35 -0.33 0.00 0.00 177.00 175.69 1xqq h PRO 38 N -0.61 0.00 0.00 5.54 0.11 -1.96 -3.01 132.00 132.07 1xqq h PRO 38 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 1xqq h PRO 38 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1xqq h PRO 38 CO 0.50 0.13 -0.75 0.38 -0.21 0.00 0.00 178.00 178.05 1xqq h ASP 39 N 0.00 0.00 -0.01 -2.05 2.03 -1.96 -3.19 116.42 111.25 1xqq h ASP 39 Ca -0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 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 0.02 0.75 -0.40 -0.61 -1.03 0.00 0.00 179.24 177.97 1xqq h GLN 40 N 0.00 0.52 -5.61 4.15 5.75 -1.90 -3.46 115.11 114.56 1xqq h GLN 40 Ca -0.01 -0.26 -0.61 0.00 -0.15 0.00 0.00 58.65 57.63 1xqq h GLN 40 Cb 1.47 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.94 1xqq h GLN 40 CO 0.10 0.83 -0.33 -0.65 -2.65 0.00 0.00 178.83 176.13 1xqq s GLN 41 N -4.24 4.06 -0.13 1.69 -0.21 -1.21 -4.42 119.66 115.20 1xqq s GLN 41 Ca -0.07 0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.40 1xqq s GLN 41 Cb 0.12 -3.35 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 1xqq s GLN 41 CO 0.82 0.41 -0.09 0.50 -2.12 0.00 0.00 175.29 174.81 1xqq s ARG 42 N -0.07 3.37 -0.15 2.91 3.52 -1.00 -5.03 118.95 122.49 1xqq s ARG 42 Ca 0.17 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1xqq s ARG 42 Cb -0.13 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1xqq s ARG 42 CO 0.05 0.31 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.18 1xqq s LEU 43 N 0.14 2.42 -0.12 -0.88 1.43 -1.26 -2.15 118.68 118.26 1xqq s LEU 43 Ca -0.04 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1xqq s LEU 43 Cb -0.14 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1xqq s LEU 43 CO 0.04 0.08 0.34 -0.63 0.23 0.00 0.00 176.35 176.40 1xqq s ILE 44 N 0.85 5.25 -0.19 -0.59 -1.09 0.18 -1.60 121.20 124.00 1xqq s ILE 44 Ca -0.05 0.65 0.01 0.00 -2.23 0.00 0.00 60.65 59.03 1xqq s ILE 44 Cb -0.15 -3.67 0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1xqq s ILE 44 CO -0.01 0.42 -0.13 0.12 -1.23 0.00 0.00 174.94 174.12 1xqq s PHE 45 N 0.15 2.52 0.00 3.97 5.36 0.24 -1.15 117.98 129.07 1xqq s PHE 45 Ca 0.19 -1.62 0.00 0.00 -0.96 0.00 0.00 56.93 54.55 1xqq s PHE 45 Cb -0.14 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1xqq s PHE 45 CO 0.07 -0.76 0.00 0.00 -1.46 0.00 0.00 175.22 173.07 1xqq n ALA 46 N 4.66 0.00 -2.40 11.12 0.00 -1.26 -1.30 120.51 131.33 1xqq n ALA 46 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 2.54 3.34 0.00 0.00 -1.26 -5.04 105.19 104.77 1xqq n GLY 47 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.10 1.80 0.11 1.61 2.20 -0.42 -5.12 119.74 117.83 1xqq s LYS 48 Ca 0.35 -1.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 1xqq s LYS 48 Cb 0.37 -1.97 -0.06 0.00 -1.51 0.00 0.00 37.83 34.66 1xqq s LYS 48 CO -0.09 0.51 0.90 -1.14 -0.36 0.00 0.00 175.35 175.17 1xqq s GLN 49 N -1.20 4.66 0.18 4.03 0.74 -1.26 -0.59 119.66 126.21 1xqq s GLN 49 Ca 0.11 1.34 -0.15 0.00 0.05 0.00 0.00 55.36 56.72 1xqq s GLN 49 Cb -0.10 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 1xqq s GLN 49 CO 0.02 0.28 0.59 -0.51 -0.55 0.00 0.00 175.29 175.12 1xqq s LEU 50 N -0.21 4.30 0.50 3.68 1.43 -0.63 -4.94 118.68 122.82 1xqq s LEU 50 Ca 0.44 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1xqq s LEU 50 Cb -0.23 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1xqq s LEU 50 CO 0.28 0.05 0.80 -1.61 0.23 0.00 0.00 176.35 176.11 1xqq s GLU 51 N -2.12 3.44 -0.09 1.70 2.02 -1.26 -4.69 118.70 117.71 1xqq s GLU 51 Ca 0.41 0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.45 1xqq s GLU 51 Cb -0.15 -2.36 -0.28 0.00 0.10 0.00 0.00 34.13 31.45 1xqq s GLU 51 CO 0.20 -0.28 0.54 -0.44 0.02 0.00 0.00 175.26 175.29 1xqq h ASP 52 N 0.16 0.47 -0.51 -0.19 5.19 -1.99 -3.37 116.42 116.18 1xqq h ASP 52 Ca -0.47 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.04 1xqq h ASP 52 Cb 1.21 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1xqq h ASP 52 CO 0.61 1.74 0.00 0.61 -3.12 0.00 0.00 179.24 179.09 1xqq n GLY 53 N 1.84 2.56 3.94 2.75 0.00 -1.26 -0.06 105.19 114.97 1xqq n GLY 53 Ca -0.27 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.20 2.86 0.49 1.61 0.52 -1.26 -4.93 118.95 116.04 1xqq s ARG 54 Ca 0.45 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.39 1xqq s ARG 54 Cb 0.32 -2.42 0.04 0.00 0.52 0.00 0.00 34.95 33.41 1xqq s ARG 54 CO 0.16 -0.57 0.61 0.95 0.02 0.00 0.00 175.30 176.47 1xqq s THR 55 N -2.80 2.47 0.22 0.02 -4.23 -1.26 -1.66 115.64 108.40 1xqq s THR 55 Ca 0.53 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1xqq s THR 55 Cb -0.10 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.22 1xqq s THR 55 CO 0.41 0.00 1.66 -0.07 -0.54 0.00 0.00 174.62 176.08 1xqq h LEU 56 N 0.53 0.79 -0.67 4.79 3.38 -1.51 -2.61 115.31 120.01 1xqq h LEU 56 Ca -0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1xqq h LEU 56 Cb 1.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1xqq h LEU 56 CO 0.47 0.95 0.37 0.28 0.09 0.00 0.00 178.44 180.60 1xqq h SER 57 N 0.70 0.83 -0.71 -0.43 0.02 -1.62 0.17 113.55 112.52 1xqq h SER 57 Ca 0.11 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1xqq h SER 57 Cb 0.66 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 1xqq h SER 57 CO 0.05 0.68 0.31 0.44 -1.14 0.00 0.00 176.83 177.17 1xqq h ASP 58 N 0.92 0.34 1.52 3.07 3.32 -1.76 -0.31 116.42 123.52 1xqq h ASP 58 Ca 0.24 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1xqq h ASP 58 Cb 0.03 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xqq h ASP 58 CO -0.04 0.17 0.00 1.88 -1.72 0.00 0.00 179.24 179.53 1xqq h TYR 59 N 0.49 0.00 -4.35 4.55 0.05 -1.65 -3.49 116.97 112.58 1xqq h TYR 59 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1xqq h TYR 59 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1xqq h TYR 59 CO -0.15 0.00 -0.04 0.09 -1.05 0.00 0.00 178.16 177.01 1xqq n ASN 60 N -2.42 -5.34 -4.32 3.88 4.13 -0.13 -5.02 115.26 106.04 1xqq n ASN 60 Ca 0.05 0.01 -0.37 0.00 1.68 0.00 0.00 54.58 55.96 1xqq n ASN 60 Cb 0.44 -3.48 -0.13 0.00 -1.54 0.00 0.00 39.78 35.07 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 -2.83 3.84 0.00 2.41 1.01 0.52 -5.00 121.20 121.15 1xqq s ILE 61 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1xqq s ILE 61 Cb -0.01 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1xqq s ILE 61 CO 0.43 0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1xqq n GLN 62 N 4.84 1.73 -2.15 2.79 1.13 -1.26 -4.75 117.38 119.71 1xqq n GLN 62 Ca -0.15 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.51 1xqq n GLN 62 Cb 0.48 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.80 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -0.20 4.37 -0.17 -1.09 0.00 -1.26 -3.08 119.74 118.30 1xqq s LYS 63 Ca 0.00 2.16 0.00 0.00 0.00 0.00 0.00 55.97 58.13 1xqq s LYS 63 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 37.83 34.71 1xqq s LYS 63 CO 0.00 -0.22 0.00 0.39 0.00 0.00 0.00 175.35 175.52 1xqq n GLU 64 N 1.58 -0.68 -3.10 1.78 1.02 0.03 -4.96 120.64 116.32 1xqq n GLU 64 Ca 0.03 0.31 -0.39 0.00 -0.02 0.00 0.00 57.16 57.08 1xqq n GLU 64 Cb 0.42 -3.91 -0.06 0.00 -0.02 0.00 0.00 31.44 27.87 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 -2.19 7.18 -0.34 1.62 0.15 -1.18 -4.71 113.70 114.23 1xqq s SER 65 Ca 0.00 1.41 -0.23 0.00 0.70 0.00 0.00 55.95 57.83 1xqq s SER 65 Cb 0.00 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1xqq s SER 65 CO 0.00 0.16 0.78 -0.89 1.20 0.00 0.00 173.24 174.49 1xqq s THR 66 N -0.68 4.76 0.18 6.45 2.01 -1.26 -2.11 115.64 124.99 1xqq s THR 66 Ca 0.34 0.97 -0.07 0.00 0.31 0.00 0.00 61.69 63.24 1xqq s THR 66 Cb -0.21 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1xqq s THR 66 CO 0.22 -0.37 0.46 -0.76 -0.69 0.00 0.00 174.62 173.48 1xqq s LEU 67 N 3.04 4.22 -0.41 4.42 1.43 0.24 -4.76 118.68 126.86 1xqq s LEU 67 Ca 0.31 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 1xqq s LEU 67 Cb -0.13 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1xqq s LEU 67 CO 0.15 -0.00 0.32 -1.00 0.23 0.00 0.00 176.35 176.05 1xqq s HIS 68 N -1.72 3.23 -0.31 0.29 3.76 -0.30 -0.96 115.29 119.29 1xqq s HIS 68 Ca 0.44 -0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 54.61 1xqq s HIS 68 Cb -0.12 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 1xqq s HIS 68 CO 0.23 -0.61 0.37 -1.17 -0.85 0.00 0.00 174.74 172.70 1xqq s LEU 69 N 1.72 4.22 -0.11 0.89 2.96 -0.72 -0.65 118.68 126.99 1xqq s LEU 69 Ca 0.06 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 1xqq s LEU 69 Cb -0.19 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1xqq s LEU 69 CO 0.10 -0.26 0.44 -0.69 -1.32 0.00 0.00 176.35 174.62 1xqq s VAL 70 N 2.06 5.19 -0.03 1.68 1.01 -0.91 -3.56 120.40 125.83 1xqq s VAL 70 Ca 0.13 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1xqq s VAL 70 Cb -0.16 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1xqq s VAL 70 CO 0.11 0.36 -0.23 -0.76 0.00 0.00 0.00 175.10 174.58 1xqq s LEU 71 N 0.45 2.22 -0.19 3.92 1.43 -1.26 -2.38 118.68 122.87 1xqq s LEU 71 Ca 0.24 -0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 71 Cb -0.15 -1.40 -0.12 0.00 0.03 0.00 0.00 46.19 44.56 1xqq s LEU 71 CO 0.09 0.32 -0.04 0.54 0.23 0.00 0.00 176.35 177.50 1xqq n ARG 72 N 2.44 0.53 -0.01 1.70 1.74 -1.26 -4.57 116.66 117.23 1xqq n ARG 72 Ca -0.16 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.40 1xqq n ARG 72 Cb 0.51 -1.67 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xqq h LEU 73 N -1.00 0.00 0.00 0.55 3.38 -1.97 -3.45 115.31 112.82 1xqq h LEU 73 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xqq h LEU 73 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1xqq h LEU 73 CO -0.15 0.12 -0.17 -0.09 0.09 0.00 0.00 178.44 178.23 1xqq h ARG 74 N -0.16 0.00 0.00 1.13 2.43 -2.02 -3.51 114.38 112.26 1xqq h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xqq h ARG 74 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1xqq h ARG 74 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1xqq n GLY 75 N 1.75 0.31 0.00 2.80 0.00 -1.26 -5.10 105.19 103.69 1xqq n GLY 75 Ca -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93