#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 4.19 0.35 2.12 -0.21 -1.26 -0.86 119.66 123.99 1xqq s GLN 2 Ca 0.00 1.22 0.07 0.00 0.02 0.00 0.00 55.36 56.67 1xqq s GLN 2 Cb 0.00 -3.67 -0.01 0.00 1.00 0.00 0.00 33.01 30.33 1xqq s GLN 2 CO 0.00 -0.70 0.46 0.96 -2.12 0.00 0.00 175.29 173.89 1xqq s ILE 3 N 3.30 3.86 -0.22 1.08 -4.36 0.09 -1.27 121.20 123.68 1xqq s ILE 3 Ca 0.43 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.80 1xqq s ILE 3 Cb -0.14 -3.33 0.05 0.00 1.25 0.00 0.00 42.46 40.29 1xqq s ILE 3 CO 0.09 -0.14 -0.10 -0.36 0.24 0.00 0.00 174.94 174.67 1xqq s PHE 4 N -2.21 2.67 -0.53 1.37 0.08 -0.07 -1.44 117.98 117.84 1xqq s PHE 4 Ca 0.46 -1.84 -0.21 0.00 0.12 0.00 0.00 56.93 55.46 1xqq s PHE 4 Cb -0.09 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1xqq s PHE 4 CO 0.31 -0.79 0.76 0.08 -0.10 0.00 0.00 175.22 175.48 1xqq s VAL 5 N 1.31 4.67 0.03 -0.44 1.01 0.56 -0.58 120.40 126.95 1xqq s VAL 5 Ca -0.04 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1xqq s VAL 5 Cb -0.18 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 1xqq s VAL 5 CO -0.07 -0.95 0.59 -0.54 0.00 0.00 0.00 175.10 174.12 1xqq s LYS 6 N 3.19 4.27 0.83 2.72 1.02 0.24 -1.60 119.74 130.41 1xqq s LYS 6 Ca 0.21 0.74 -0.07 0.00 0.02 0.00 0.00 55.97 56.87 1xqq s LYS 6 Cb -0.17 -3.30 0.16 0.00 -0.52 0.00 0.00 37.83 34.01 1xqq s LYS 6 CO 0.15 0.48 1.14 0.95 -0.92 0.00 0.00 175.35 177.15 1xqq s THR 7 N -0.58 2.06 0.10 2.17 -4.23 -0.81 -1.48 115.64 112.86 1xqq s THR 7 Ca 0.30 -0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 1xqq s THR 7 Cb -0.19 -2.70 -0.11 0.00 1.34 0.00 0.00 72.50 70.84 1xqq s THR 7 CO 0.18 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.24 1xqq h LEU 8 N -1.01 -0.07 0.07 4.79 5.85 -1.93 -3.28 115.31 119.74 1xqq h LEU 8 Ca -0.39 0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.06 1xqq h LEU 8 Cb 1.25 0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.35 1xqq h LEU 8 CO 0.38 -0.02 -1.20 0.71 -0.34 0.00 0.00 178.44 177.97 1xqq h THR 9 N -0.00 1.33 0.00 1.05 1.35 -1.97 -3.47 112.91 111.20 1xqq h THR 9 Ca 0.03 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1xqq h THR 9 Cb 0.05 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1xqq h THR 9 CO -0.07 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1xqq n GLY 10 N 1.33 -0.06 3.40 5.82 0.00 -1.24 -5.14 105.19 109.31 1xqq n GLY 10 Ca -0.12 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 3.50 -0.33 1.61 2.20 -1.26 -4.89 119.74 120.57 1xqq s LYS 11 Ca 0.00 -0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 1xqq s LYS 11 Cb 0.00 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1xqq s LYS 11 CO 0.00 0.09 0.82 0.99 -0.36 0.00 0.00 175.35 176.89 1xqq s THR 12 N 0.72 4.73 -0.31 3.43 2.01 -1.26 -1.93 115.64 123.03 1xqq s THR 12 Ca -0.03 1.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 1xqq s THR 12 Cb -0.15 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1xqq s THR 12 CO 0.02 -0.35 0.52 -0.63 -0.69 0.00 0.00 174.62 173.49 1xqq s ILE 13 N 3.10 5.03 -0.21 1.82 1.01 -0.63 -4.93 121.20 126.40 1xqq s ILE 13 Ca 0.34 0.60 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 1xqq s ILE 13 Cb -0.13 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1xqq s ILE 13 CO 0.14 -0.08 0.68 -0.89 0.00 0.00 0.00 174.94 174.80 1xqq s THR 14 N 2.37 4.97 -0.11 2.92 2.01 -1.26 -0.32 115.64 126.22 1xqq s THR 14 Ca 0.20 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.49 1xqq s THR 14 Cb -0.15 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1xqq s THR 14 CO 0.12 0.06 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.19 1xqq s LEU 15 N 2.19 2.58 -0.59 4.42 1.43 -0.52 -4.97 118.68 123.22 1xqq s LEU 15 Ca 0.30 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 1xqq s LEU 15 Cb -0.16 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.56 1xqq s LEU 15 CO 0.10 0.18 0.92 -1.61 0.23 0.00 0.00 176.35 176.18 1xqq s GLU 16 N 0.23 3.22 0.38 1.70 2.02 -1.26 -0.73 118.70 124.25 1xqq s GLU 16 Ca -0.10 -0.56 0.08 0.00 0.02 0.00 0.00 54.97 54.41 1xqq s GLU 16 Cb -0.16 -4.13 -0.07 0.00 0.10 0.00 0.00 34.13 29.87 1xqq s GLU 16 CO 0.06 -1.61 -0.02 0.14 0.02 0.00 0.00 175.26 173.85 1xqq s VAL 17 N 3.89 2.15 0.07 2.63 -7.23 -0.04 -4.86 120.40 117.02 1xqq s VAL 17 Ca 0.25 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1xqq s VAL 17 Cb -0.15 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1xqq s VAL 17 CO 0.15 -0.09 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.02 1xqq s GLU 18 N -3.69 1.36 0.53 4.82 0.41 -1.26 -0.20 118.70 120.68 1xqq s GLU 18 Ca 0.34 -1.08 0.31 0.00 -0.41 0.00 0.00 54.97 54.13 1xqq s GLU 18 Cb 0.06 -1.58 1.42 0.00 -1.78 0.00 0.00 34.13 32.25 1xqq s GLU 18 CO 0.18 0.39 2.02 -1.35 -0.49 0.00 0.00 175.26 176.01 1xqq h PRO 19 N 4.49 0.00 -1.11 0.39 0.11 -1.97 -0.55 132.00 133.36 1xqq h PRO 19 Ca -0.45 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.23 1xqq h PRO 19 Cb 1.16 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 1xqq h PRO 19 CO 0.42 0.09 0.54 0.43 -0.21 0.00 0.00 178.00 179.27 1xqq n SER 20 N -3.34 4.90 -4.78 -2.05 7.64 -1.26 -1.77 113.62 112.96 1xqq n SER 20 Ca -0.01 -3.26 -0.39 0.00 1.01 0.00 0.00 58.87 56.22 1xqq n SER 20 Cb 0.28 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.71 7.32 0.68 6.43 1.01 -0.22 -4.94 116.67 126.24 1xqq s ASP 21 Ca 0.44 1.56 -0.11 0.00 0.71 0.00 0.00 52.55 55.15 1xqq s ASP 21 Cb 0.36 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.81 1xqq s ASP 21 CO 0.05 0.19 1.07 0.42 0.21 0.00 0.00 175.17 177.11 1xqq s THR 22 N -0.97 3.88 0.28 -1.27 -4.23 -1.26 -2.21 115.64 109.85 1xqq s THR 22 Ca 0.35 0.61 0.21 0.00 -1.18 0.00 0.00 61.69 61.68 1xqq s THR 22 Cb -0.22 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 22 CO 0.25 -0.80 1.87 0.40 -0.54 0.00 0.00 174.62 175.80 1xqq h ILE 23 N -0.54 0.80 0.00 2.99 1.08 -1.02 -1.83 117.51 118.98 1xqq h ILE 23 Ca -0.45 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 62.92 1xqq h ILE 23 Cb 1.23 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1xqq h ILE 23 CO 0.63 0.26 -0.02 1.05 -0.69 0.00 0.00 178.15 179.38 1xqq h GLU 24 N 0.00 0.00 -0.15 2.37 4.11 -1.34 -2.43 114.58 117.14 1xqq h GLU 24 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 1xqq h GLU 24 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xqq h GLU 24 CO 0.03 0.02 -0.70 -0.97 0.07 0.00 0.00 179.01 177.47 1xqq h ASN 25 N 0.00 0.77 -0.14 3.06 -0.73 -1.63 -3.19 115.58 113.73 1xqq h ASN 25 Ca -0.00 -0.48 0.05 0.00 1.87 0.00 0.00 56.30 57.74 1xqq h ASN 25 Cb 0.05 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.35 1xqq h ASN 25 CO 0.00 1.25 -0.27 0.58 -0.37 0.00 0.00 177.43 178.62 1xqq h VAL 26 N 0.47 0.37 0.00 2.57 2.07 -1.40 -2.28 116.25 118.05 1xqq h VAL 26 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xqq h VAL 26 Cb 1.30 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1xqq h VAL 26 CO 0.14 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.02 1xqq n LYS 27 N -5.38 0.04 -0.07 1.57 5.02 -1.16 -2.43 118.16 115.75 1xqq n LYS 27 Ca -0.03 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1xqq n LYS 27 Cb 0.30 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1xqq n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xqq h ALA 28 N 2.44 0.32 0.00 7.82 0.00 -1.39 -3.06 119.26 125.39 1xqq h ALA 28 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1xqq h ALA 28 Cb 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xqq h ALA 28 CO 0.00 0.24 -1.00 0.87 0.00 0.00 0.00 179.25 179.36 1xqq h LYS 29 N 0.20 0.55 -0.67 0.00 1.57 -1.50 -2.00 116.57 114.71 1xqq h LYS 29 Ca 0.04 -0.60 0.07 0.00 -1.87 0.00 0.00 60.65 58.29 1xqq h LYS 29 Cb 0.72 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1xqq h LYS 29 CO 0.05 1.22 0.44 0.82 -0.57 0.00 0.00 179.45 181.41 1xqq h ILE 30 N 0.31 0.99 -0.27 1.86 1.08 -1.58 0.13 117.51 120.03 1xqq h ILE 30 Ca -0.11 -0.22 -0.18 0.00 -0.39 0.00 0.00 64.86 63.96 1xqq h ILE 30 Cb 1.65 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1xqq h ILE 30 CO 0.19 0.12 -0.54 -0.61 -0.69 0.00 0.00 178.15 176.61 1xqq h GLN 31 N 0.66 0.85 0.27 2.37 4.15 -1.39 0.38 115.11 122.39 1xqq h GLN 31 Ca 0.29 -0.55 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1xqq h GLN 31 Cb 0.31 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1xqq h GLN 31 CO -0.09 1.18 -0.13 0.22 -1.93 0.00 0.00 178.83 178.07 1xqq h ASP 32 N 0.62 -0.31 0.04 -0.69 3.58 -0.66 -3.27 116.42 115.73 1xqq h ASP 32 Ca 0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1xqq h ASP 32 Cb 1.16 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1xqq h ASP 32 CO 0.12 -0.22 -0.02 0.11 -2.88 0.00 0.00 179.24 176.35 1xqq h LYS 33 N -0.37 -0.05 0.00 0.28 1.79 -0.90 -3.40 116.57 113.92 1xqq h LYS 33 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1xqq h LYS 33 Cb 0.28 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1xqq h LYS 33 CO 0.06 0.54 0.00 0.39 -1.08 0.00 0.00 179.45 179.36 1xqq n GLU 34 N -4.82 0.00 0.00 3.15 -0.58 -1.07 -5.08 120.64 112.24 1xqq n GLU 34 Ca -0.09 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1xqq n GLU 34 Cb 0.30 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 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 1.72 0.46 3.76 0.62 0.00 0.13 -4.96 105.19 106.93 1xqq n GLY 35 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 5.17 0.72 -0.61 -1.09 -1.16 -4.89 121.20 118.88 1xqq s ILE 36 Ca 0.00 0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 59.12 1xqq s ILE 36 Cb 0.00 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1xqq s ILE 36 CO 0.00 0.43 1.07 -2.84 -1.23 0.00 0.00 174.94 172.37 1xqq s PRO 37 N -0.01 2.72 0.25 2.79 0.02 -1.26 -3.51 135.00 136.00 1xqq s PRO 37 Ca 0.23 1.01 0.25 0.00 0.02 0.00 0.00 61.00 62.51 1xqq s PRO 37 Cb -0.15 -1.96 0.62 0.00 0.02 0.00 0.00 34.50 33.03 1xqq s PRO 37 CO 0.10 -1.27 1.65 -1.00 -0.33 0.00 0.00 177.00 176.15 1xqq h PRO 38 N -0.84 0.00 0.18 5.54 0.13 -1.95 -3.21 132.00 131.84 1xqq h PRO 38 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.38 1xqq h PRO 38 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.55 0.00 -1.48 -0.44 -0.23 0.00 0.00 178.00 176.40 1xqq h ASP 39 N 0.00 0.59 0.59 1.44 3.32 -1.92 -3.35 116.42 117.09 1xqq h ASP 39 Ca 0.00 -0.71 -0.08 0.00 0.02 0.00 0.00 57.03 56.27 1xqq h ASP 39 Cb 0.80 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1xqq h ASP 39 CO 0.00 1.57 -0.36 0.06 -1.72 0.00 0.00 179.24 178.79 1xqq h GLN 40 N 0.10 0.00 -6.30 3.56 3.07 -1.81 -3.44 115.11 110.29 1xqq h GLN 40 Ca -0.24 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 57.94 1xqq h GLN 40 Cb 2.07 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.59 1xqq h GLN 40 CO 0.21 0.36 0.03 1.14 0.09 0.00 0.00 178.83 180.67 1xqq s GLN 41 N -3.89 4.32 -0.04 0.06 -2.07 -1.24 -0.98 119.66 115.83 1xqq s GLN 41 Ca -0.01 0.86 -0.01 0.00 -1.82 0.00 0.00 55.36 54.38 1xqq s GLN 41 Cb 0.13 -3.26 -0.04 0.00 -1.09 0.00 0.00 33.01 28.75 1xqq s GLN 41 CO 0.69 0.58 0.02 0.50 -1.32 0.00 0.00 175.29 175.76 1xqq s ARG 42 N -0.98 2.94 -0.28 9.60 3.52 0.07 -4.87 118.95 128.94 1xqq s ARG 42 Ca 0.31 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 1xqq s ARG 42 Cb -0.20 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.48 1xqq s ARG 42 CO 0.21 0.67 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.79 1xqq s LEU 43 N -1.27 3.69 -0.02 -0.88 1.43 -1.26 -1.94 118.68 118.42 1xqq s LEU 43 Ca 0.17 -1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 51.65 1xqq s LEU 43 Cb -0.12 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1xqq s LEU 43 CO 0.07 -0.23 0.43 -0.63 0.23 0.00 0.00 176.35 176.22 1xqq s ILE 44 N 1.11 5.04 -0.24 -0.59 1.01 -1.07 -4.51 121.20 121.96 1xqq s ILE 44 Ca -0.06 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.42 1xqq s ILE 44 Cb -0.20 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1xqq s ILE 44 CO -0.05 0.53 -0.00 0.12 0.00 0.00 0.00 174.94 175.54 1xqq s PHE 45 N -0.73 3.02 0.00 3.97 5.36 -1.25 -0.72 117.98 127.63 1xqq s PHE 45 Ca 0.24 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 1xqq s PHE 45 Cb -0.17 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1xqq s PHE 45 CO 0.13 -0.52 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 1xqq n ALA 46 N 4.83 0.00 -0.49 11.12 0.00 -1.26 -0.21 120.51 134.49 1xqq n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xqq n ALA 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.10 3.84 0.00 0.00 -1.26 -5.01 105.19 102.67 1xqq n GLY 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.28 4.00 -0.20 1.61 1.02 0.71 -5.05 119.74 121.55 1xqq s LYS 48 Ca 0.00 0.87 -0.18 0.00 0.02 0.00 0.00 55.97 56.67 1xqq s LYS 48 Cb 0.00 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1xqq s LYS 48 CO 0.00 -0.10 0.50 -1.14 -0.92 0.00 0.00 175.35 173.69 1xqq s GLN 49 N -3.63 4.20 0.40 1.68 0.74 -1.26 -3.83 119.66 117.95 1xqq s GLN 49 Ca 0.58 0.39 0.08 0.00 0.05 0.00 0.00 55.36 56.45 1xqq s GLN 49 Cb -0.10 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.45 1xqq s GLN 49 CO 0.24 -0.12 0.41 -0.51 -0.55 0.00 0.00 175.29 174.76 1xqq s LEU 50 N 1.54 3.53 0.23 3.68 1.43 -1.26 -5.07 118.68 122.76 1xqq s LEU 50 Ca 0.24 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 50 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1xqq s LEU 50 CO 0.09 -0.60 0.02 -1.61 0.23 0.00 0.00 176.35 174.48 1xqq s GLU 51 N -4.16 1.34 -0.19 1.70 2.02 -1.26 -5.05 118.70 113.10 1xqq s GLU 51 Ca 0.48 -1.68 -0.08 0.00 0.02 0.00 0.00 54.97 53.71 1xqq s GLU 51 Cb -0.06 -0.52 -0.21 0.00 0.10 0.00 0.00 34.13 33.45 1xqq s GLU 51 CO 0.29 -0.14 0.10 -0.25 0.02 0.00 0.00 175.26 175.28 1xqq n ASP 52 N -0.42 2.02 -2.59 -0.19 8.00 -1.26 -3.89 116.55 118.23 1xqq n ASP 52 Ca -0.04 0.17 -0.36 0.00 0.71 0.00 0.00 54.79 55.26 1xqq n ASP 52 Cb 0.64 -0.76 0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N 1.88 5.75 3.45 0.44 0.00 -1.26 -0.93 105.19 114.52 1xqq n GLY 53 Ca -0.38 -2.42 -0.24 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.92 1.61 0.28 1.61 1.81 -1.25 -4.98 118.95 114.11 1xqq s ARG 54 Ca 0.58 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.91 1xqq s ARG 54 Cb 0.47 -1.70 -0.03 0.00 -0.45 0.00 0.00 34.95 33.24 1xqq s ARG 54 CO -0.20 0.32 0.43 0.95 -0.68 0.00 0.00 175.30 176.13 1xqq s THR 55 N -2.44 5.13 0.28 0.02 -4.23 -1.26 -2.43 115.64 110.72 1xqq s THR 55 Ca 0.28 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1xqq s THR 55 Cb -0.05 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.22 1xqq s THR 55 CO 0.13 -0.40 1.95 -0.07 -0.54 0.00 0.00 174.62 175.69 1xqq h LEU 56 N 1.00 1.01 -0.65 4.79 3.38 -1.49 -2.89 115.31 120.46 1xqq h LEU 56 Ca -0.51 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.55 1xqq h LEU 56 Cb 1.23 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1xqq h LEU 56 CO 0.61 0.72 0.22 0.77 0.09 0.00 0.00 178.44 180.84 1xqq h SER 57 N 1.18 0.19 -0.60 -0.43 4.64 -1.64 -1.05 113.55 115.83 1xqq h SER 57 Ca 0.34 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 1xqq h SER 57 Cb -0.08 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1xqq h SER 57 CO -0.09 0.10 0.16 -0.78 -0.87 0.00 0.00 176.83 175.35 1xqq h ASP 58 N 0.38 0.91 0.96 4.97 3.58 -1.82 -2.51 116.42 122.89 1xqq h ASP 58 Ca 0.34 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1xqq h ASP 58 Cb 0.46 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1xqq h ASP 58 CO -0.36 0.90 0.00 -1.22 -2.88 0.00 0.00 179.24 175.69 1xqq n TYR 59 N -4.36 0.03 -2.85 0.28 4.01 -1.11 -4.94 117.16 108.21 1xqq n TYR 59 Ca 0.03 0.01 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1xqq n TYR 59 Cb 0.23 -0.51 0.03 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.52 -3.32 -4.56 7.72 5.03 -0.81 -5.00 115.26 112.79 1xqq n ASN 60 Ca 0.07 -0.23 -0.43 0.00 0.87 0.00 0.00 54.58 54.86 1xqq n ASN 60 Cb 0.32 -2.37 -0.05 0.00 -1.02 0.00 0.00 39.78 36.66 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.14 4.69 0.41 2.41 1.01 -0.46 -5.04 121.20 121.08 1xqq s ILE 61 Ca 0.18 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1xqq s ILE 61 Cb -0.08 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.20 1xqq s ILE 61 CO 0.30 -0.60 0.56 0.00 0.00 0.00 0.00 174.94 175.20 1xqq n GLN 62 N 6.59 0.25 -2.26 2.79 6.02 -1.26 -4.76 117.38 124.76 1xqq n GLN 62 Ca 0.02 -1.58 -0.37 0.00 -0.01 0.00 0.00 57.00 55.07 1xqq n GLN 62 Cb 0.48 -0.36 -0.01 0.00 1.02 0.00 0.00 30.24 31.38 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -3.90 3.65 -1.43 -1.09 -2.85 -1.26 -3.26 119.74 109.59 1xqq s LYS 63 Ca 0.38 1.73 -0.10 0.00 -1.00 0.00 0.00 55.97 56.98 1xqq s LYS 63 Cb -0.02 -2.30 0.04 0.00 -2.06 0.00 0.00 37.83 33.49 1xqq s LYS 63 CO 0.25 -0.63 1.04 0.39 0.10 0.00 0.00 175.35 176.49 1xqq n GLU 64 N -0.71 -6.47 -4.10 1.78 1.02 -0.39 -5.00 120.64 106.77 1xqq n GLU 64 Ca 0.08 0.70 -0.33 0.00 -0.02 0.00 0.00 57.16 57.60 1xqq n GLU 64 Cb 0.49 -5.63 -0.07 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.47 5.68 -0.22 1.62 0.01 -1.20 -4.89 113.70 111.23 1xqq s SER 65 Ca 0.54 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.87 1xqq s SER 65 Cb -0.26 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1xqq s SER 65 CO 0.79 0.27 0.05 -0.89 0.41 0.00 0.00 173.24 173.87 1xqq s THR 66 N -1.20 4.39 -0.05 1.44 2.01 -1.26 -0.89 115.64 120.08 1xqq s THR 66 Ca 0.23 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1xqq s THR 66 Cb -0.12 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1xqq s THR 66 CO 0.14 0.39 0.07 -0.76 -0.69 0.00 0.00 174.62 173.77 1xqq s LEU 67 N 1.11 3.89 -0.40 4.42 1.43 0.26 -4.47 118.68 124.93 1xqq s LEU 67 Ca 0.04 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 1xqq s LEU 67 Cb -0.14 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1xqq s LEU 67 CO 0.03 0.32 0.33 -1.00 0.23 0.00 0.00 176.35 176.27 1xqq s HIS 68 N -1.08 3.22 -0.42 0.29 3.76 0.10 -0.59 115.29 120.57 1xqq s HIS 68 Ca 0.19 -0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 54.40 1xqq s HIS 68 Cb -0.12 -2.66 -0.00 0.00 1.11 0.00 0.00 32.58 30.91 1xqq s HIS 68 CO 0.09 -0.57 1.61 -1.17 -0.85 0.00 0.00 174.74 173.85 1xqq s LEU 69 N 1.84 3.50 0.11 0.89 2.96 -0.55 -2.58 118.68 124.85 1xqq s LEU 69 Ca 0.08 0.90 0.09 0.00 -0.22 0.00 0.00 54.13 54.98 1xqq s LEU 69 Cb -0.18 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1xqq s LEU 69 CO 0.11 -1.67 -0.20 -0.69 -1.32 0.00 0.00 176.35 172.58 1xqq s VAL 70 N 6.45 2.71 -0.10 1.68 1.01 -0.82 -4.22 120.40 127.11 1xqq s VAL 70 Ca 0.68 -1.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1xqq s VAL 70 Cb -0.17 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1xqq s VAL 70 CO 0.31 0.13 0.31 -0.22 0.00 0.00 0.00 175.10 175.63 1xqq s LEU 71 N -2.03 4.35 0.39 3.92 2.96 -1.26 -0.75 118.68 126.26 1xqq s LEU 71 Ca 0.17 0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1xqq s LEU 71 Cb -0.10 -2.39 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 1xqq s LEU 71 CO 0.09 0.23 0.73 -0.13 -1.32 0.00 0.00 176.35 175.94 1xqq s ARG 72 N -0.32 3.71 -0.10 1.98 0.52 -0.15 -4.92 118.95 119.67 1xqq s ARG 72 Ca 0.19 0.33 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 1xqq s ARG 72 Cb -0.14 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 1xqq s ARG 72 CO 0.07 -0.01 -0.09 1.25 0.02 0.00 0.00 175.30 176.54 1xqq h LEU 73 N 1.18 0.00 0.06 2.53 5.85 -1.98 -3.41 115.31 119.53 1xqq h LEU 73 Ca -0.47 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 1xqq h LEU 73 Cb 1.19 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.24 1xqq h LEU 73 CO 0.64 0.50 -0.74 -0.09 -0.34 0.00 0.00 178.44 178.42 1xqq h ARG 74 N -0.75 0.40 0.00 1.25 2.43 -1.98 -3.49 114.38 112.24 1xqq h ARG 74 Ca 0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1xqq h ARG 74 Cb 0.26 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1xqq h ARG 74 CO 0.00 1.18 0.00 0.41 -1.51 0.00 0.00 179.97 180.05 1xqq n GLY 75 N 1.28 0.61 0.00 2.80 0.00 -1.26 -5.01 105.19 103.60 1xqq n GLY 75 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93