#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 4.22 0.31 2.12 0.74 -1.26 -0.51 119.66 125.29 1xqq s GLN 2 Ca 0.00 0.97 0.04 0.00 0.05 0.00 0.00 55.36 56.42 1xqq s GLN 2 Cb 0.00 -3.62 -0.06 0.00 1.10 0.00 0.00 33.01 30.43 1xqq s GLN 2 CO 0.00 -0.45 0.03 0.96 -0.55 0.00 0.00 175.29 175.29 1xqq s ILE 3 N 2.59 1.27 0.09 -2.34 -4.36 -1.20 -0.26 121.20 116.99 1xqq s ILE 3 Ca 0.36 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.83 1xqq s ILE 3 Cb -0.16 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1xqq s ILE 3 CO 0.09 -0.07 -0.26 -0.36 0.24 0.00 0.00 174.94 174.58 1xqq s PHE 4 N -3.24 2.26 -0.20 1.37 0.08 -0.11 -2.03 117.98 116.12 1xqq s PHE 4 Ca 0.35 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1xqq s PHE 4 Cb 0.08 -1.28 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1xqq s PHE 4 CO 0.15 0.24 -0.13 0.08 -0.10 0.00 0.00 175.22 175.46 1xqq s VAL 5 N -0.96 2.54 -0.22 -0.44 1.01 -0.99 0.17 120.40 121.51 1xqq s VAL 5 Ca 0.12 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1xqq s VAL 5 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1xqq s VAL 5 CO 0.04 0.44 0.09 -0.75 0.00 0.00 0.00 175.10 174.92 1xqq s LYS 6 N 1.34 3.89 0.97 2.72 2.20 0.72 -1.08 119.74 130.49 1xqq s LYS 6 Ca 0.04 -0.37 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1xqq s LYS 6 Cb -0.14 -3.35 0.18 0.00 -1.51 0.00 0.00 37.83 33.01 1xqq s LYS 6 CO -0.09 0.04 1.24 0.95 -0.36 0.00 0.00 175.35 177.14 1xqq s THR 7 N 1.03 1.94 0.03 3.43 -4.23 -0.03 -1.22 115.64 116.58 1xqq s THR 7 Ca 0.05 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.29 1xqq s THR 7 Cb -0.14 -2.89 -0.17 0.00 1.34 0.00 0.00 72.50 70.65 1xqq s THR 7 CO 0.03 0.00 1.32 0.25 -0.54 0.00 0.00 174.62 175.69 1xqq h LEU 8 N -1.67 -0.46 0.71 4.79 5.85 -1.76 -3.28 115.31 119.49 1xqq h LEU 8 Ca -0.46 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1xqq h LEU 8 Cb 1.27 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.43 1xqq h LEU 8 CO 0.45 -0.14 -0.34 0.71 -0.34 0.00 0.00 178.44 178.78 1xqq h THR 9 N -0.79 0.00 0.00 1.05 1.35 -1.95 -3.48 112.91 109.09 1xqq h THR 9 Ca -0.06 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1xqq h THR 9 Cb 0.53 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1xqq h THR 9 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1xqq n GLY 10 N -1.37 -1.41 3.24 5.82 0.00 -1.24 -5.16 105.19 105.07 1xqq n GLY 10 Ca -0.12 0.44 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.11 -0.28 1.61 2.20 -1.26 -4.87 119.74 120.25 1xqq s LYS 11 Ca 0.00 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.72 1xqq s LYS 11 Cb 0.00 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 1xqq s LYS 11 CO 0.00 0.12 0.05 0.99 -0.36 0.00 0.00 175.35 176.15 1xqq s THR 12 N 0.51 3.78 -0.17 3.43 2.01 -1.26 -0.85 115.64 123.09 1xqq s THR 12 Ca -0.13 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1xqq s THR 12 Cb -0.17 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1xqq s THR 12 CO 0.05 0.13 0.09 -0.63 -0.69 0.00 0.00 174.62 173.56 1xqq s ILE 13 N 1.48 5.05 -0.28 1.82 1.09 -0.24 -4.98 121.20 125.13 1xqq s ILE 13 Ca 0.03 0.05 -0.13 0.00 -1.10 0.00 0.00 60.65 59.50 1xqq s ILE 13 Cb -0.17 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 1xqq s ILE 13 CO 0.01 0.49 0.26 -0.89 -0.10 0.00 0.00 174.94 174.71 1xqq s THR 14 N 0.08 5.26 0.29 2.92 2.01 -1.26 -2.36 115.64 122.58 1xqq s THR 14 Ca 0.07 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.43 1xqq s THR 14 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1xqq s THR 14 CO 0.00 0.19 0.23 -0.76 -0.69 0.00 0.00 174.62 173.60 1xqq s LEU 15 N 1.88 3.68 -0.32 4.42 1.43 -0.86 -5.03 118.68 123.87 1xqq s LEU 15 Ca 0.10 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1xqq s LEU 15 Cb -0.16 -2.25 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1xqq s LEU 15 CO 0.11 -0.19 0.14 -0.70 0.23 0.00 0.00 176.35 175.93 1xqq s GLU 16 N -3.91 0.59 0.30 1.70 2.56 -1.26 -3.23 118.70 115.45 1xqq s GLU 16 Ca 0.37 -1.03 0.07 0.00 0.00 0.00 0.00 54.97 54.38 1xqq s GLU 16 Cb -0.07 -1.68 -0.03 0.00 2.00 0.00 0.00 34.13 34.36 1xqq s GLU 16 CO 0.25 -1.04 0.27 0.14 -0.56 0.00 0.00 175.26 174.32 1xqq s VAL 17 N 1.57 3.92 0.25 3.70 -7.23 0.33 -4.72 120.40 118.22 1xqq s VAL 17 Ca 0.11 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 1xqq s VAL 17 Cb -0.18 -3.29 -0.09 0.00 0.56 0.00 0.00 36.38 33.38 1xqq s VAL 17 CO -0.23 -0.24 1.14 -1.61 -0.31 0.00 0.00 175.10 173.85 1xqq s GLU 18 N -3.95 4.58 0.60 4.82 8.01 -1.26 0.11 118.70 131.61 1xqq s GLU 18 Ca 0.38 1.85 0.31 0.00 0.01 0.00 0.00 54.97 57.52 1xqq s GLU 18 Cb -0.07 -3.20 1.86 0.00 -4.31 0.00 0.00 34.13 28.41 1xqq s GLU 18 CO 0.26 0.10 2.22 -1.35 0.01 0.00 0.00 175.26 176.51 1xqq h PRO 19 N 4.20 0.00 -0.12 0.39 0.11 -1.97 -3.12 132.00 131.48 1xqq h PRO 19 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1xqq h PRO 19 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.69 0.00 -0.30 0.43 -0.21 0.00 0.00 178.00 178.61 1xqq n SER 20 N -3.71 2.09 -4.77 -2.05 7.64 -1.26 -3.76 113.62 107.80 1xqq n SER 20 Ca -0.02 -3.76 -0.29 0.00 1.01 0.00 0.00 58.87 55.81 1xqq n SER 20 Cb 0.15 -0.56 0.12 0.00 -1.01 0.00 0.00 64.21 62.92 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -2.94 3.82 0.32 6.43 2.15 -1.18 -4.57 116.67 120.70 1xqq s ASP 21 Ca 0.40 0.84 -0.07 0.00 0.43 0.00 0.00 52.55 54.15 1xqq s ASP 21 Cb 0.37 -1.34 -0.06 0.00 -0.30 0.00 0.00 42.92 41.60 1xqq s ASP 21 CO -0.03 -2.34 0.61 0.42 -0.17 0.00 0.00 175.17 173.65 1xqq s THR 22 N -3.43 4.95 0.02 1.71 -4.23 -1.26 -1.35 115.64 112.05 1xqq s THR 22 Ca 0.64 0.24 0.32 0.00 -1.18 0.00 0.00 61.69 61.71 1xqq s THR 22 Cb -0.12 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1xqq s THR 22 CO 0.52 -0.36 1.93 0.40 -0.54 0.00 0.00 174.62 176.57 1xqq h ILE 23 N 1.32 0.00 -0.79 2.99 2.04 -1.07 0.13 117.51 122.14 1xqq h ILE 23 Ca -0.47 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1xqq h ILE 23 Cb 1.19 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1xqq h ILE 23 CO 0.66 0.00 0.34 -0.08 0.00 0.00 0.00 178.15 179.07 1xqq h GLU 24 N 0.00 1.15 0.00 2.37 4.81 -1.73 -2.59 114.58 118.59 1xqq h GLU 24 Ca 0.00 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 58.83 1xqq h GLU 24 Cb 0.57 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1xqq h GLU 24 CO 0.00 0.91 -1.10 -0.91 -0.73 0.00 0.00 179.01 177.18 1xqq h ASN 25 N 1.13 0.00 -0.27 1.04 2.35 -1.11 -0.02 115.58 118.71 1xqq h ASN 25 Ca 0.27 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.05 1xqq h ASN 25 Cb 0.17 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1xqq h ASN 25 CO -0.03 0.95 -0.40 0.58 -1.65 0.00 0.00 177.43 176.88 1xqq h VAL 26 N 0.00 0.00 -0.99 2.81 2.07 -1.23 -1.91 116.25 116.99 1xqq h VAL 26 Ca -0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.59 1xqq h VAL 26 Cb 1.78 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 1xqq h VAL 26 CO 0.11 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.44 1xqq h LYS 27 N -0.31 0.91 -0.93 1.57 1.57 -1.29 -1.95 116.57 116.15 1xqq h LYS 27 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 27 Cb 0.44 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1xqq h LYS 27 CO -0.41 0.60 0.56 0.00 -0.57 0.00 0.00 179.45 179.63 1xqq h ALA 28 N 1.56 1.18 -0.81 3.86 0.00 -0.83 -0.53 119.26 123.68 1xqq h ALA 28 Ca 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1xqq h ALA 28 Cb 0.56 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xqq h ALA 28 CO -0.27 0.64 0.45 0.87 0.00 0.00 0.00 179.25 180.94 1xqq h LYS 29 N 1.28 1.13 -0.68 0.00 1.57 -0.98 -2.53 116.57 116.35 1xqq h LYS 29 Ca 0.33 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1xqq h LYS 29 Cb -0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 1xqq h LYS 29 CO -0.06 0.82 0.26 0.82 -0.57 0.00 0.00 179.45 180.72 1xqq h ILE 30 N 1.14 1.24 -0.92 1.86 2.04 -0.62 -1.77 117.51 120.48 1xqq h ILE 30 Ca 0.29 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xqq h ILE 30 Cb 0.01 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1xqq h ILE 30 CO -0.05 0.31 0.56 -0.61 0.00 0.00 0.00 178.15 178.36 1xqq h GLN 31 N 0.96 1.24 0.02 2.37 4.15 -1.19 0.38 115.11 123.05 1xqq h GLN 31 Ca 0.22 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1xqq h GLN 31 Cb 0.22 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1xqq h GLN 31 CO -0.02 0.86 -0.01 0.22 -1.93 0.00 0.00 178.83 177.95 1xqq h ASP 32 N 1.26 -0.02 0.04 -0.69 3.58 -1.31 -2.71 116.42 116.57 1xqq h ASP 32 Ca 0.33 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 1xqq h ASP 32 Cb -0.07 0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1xqq h ASP 32 CO -0.06 -0.01 -0.02 0.50 -2.88 0.00 0.00 179.24 176.76 1xqq h LYS 33 N -0.03 -0.05 0.00 0.28 1.63 -1.02 -3.40 116.57 113.99 1xqq h LYS 33 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xqq h LYS 33 Cb 0.02 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1xqq h LYS 33 CO 0.00 -0.04 -0.64 0.93 -3.45 0.00 0.00 179.45 176.26 1xqq h GLU 34 N -0.19 0.00 -0.03 1.90 4.39 -1.12 -3.48 114.58 116.06 1xqq h GLU 34 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1xqq h GLU 34 Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xqq h GLU 34 CO 0.01 0.00 -0.01 0.41 -1.16 0.00 0.00 179.01 178.26 1xqq n GLY 35 N 1.29 0.48 3.63 -3.84 0.00 -1.02 -5.00 105.19 100.72 1xqq n GLY 35 Ca 0.03 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.96 4.18 0.80 -0.61 1.01 -1.26 -4.94 121.20 118.41 1xqq s ILE 36 Ca 0.00 1.35 -0.14 0.00 0.00 0.00 0.00 60.65 61.86 1xqq s ILE 36 Cb 0.00 -4.15 0.08 0.00 0.01 0.00 0.00 42.46 38.39 1xqq s ILE 36 CO 0.00 -0.44 1.22 -2.84 0.00 0.00 0.00 174.94 172.88 1xqq s PRO 37 N 4.06 1.69 0.38 2.79 0.02 -1.26 -3.78 135.00 138.90 1xqq s PRO 37 Ca 0.55 1.80 0.20 0.00 0.02 0.00 0.00 61.00 63.57 1xqq s PRO 37 Cb -0.17 -1.78 0.69 0.00 0.02 0.00 0.00 34.50 33.27 1xqq s PRO 37 CO 0.22 -2.19 1.74 -1.00 -0.33 0.00 0.00 177.00 175.43 1xqq h PRO 38 N -0.79 0.00 -0.54 5.54 0.13 -1.94 -2.95 132.00 131.44 1xqq h PRO 38 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1xqq h PRO 38 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 38 CO 0.47 0.35 -0.06 0.38 -0.23 0.00 0.00 178.00 178.90 1xqq h ASP 39 N 0.00 1.00 0.27 1.44 2.03 -2.00 -2.80 116.42 116.36 1xqq h ASP 39 Ca -0.00 -0.33 -0.01 0.00 -0.73 0.00 0.00 57.03 55.95 1xqq h ASP 39 Cb 0.89 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1xqq h ASP 39 CO 0.05 1.10 -0.06 -0.61 -1.03 0.00 0.00 179.24 178.68 1xqq h GLN 40 N 0.88 0.00 -6.02 4.15 4.15 -1.79 -3.45 115.11 113.03 1xqq h GLN 40 Ca 0.15 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.00 1xqq h GLN 40 Cb 0.62 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 1xqq h GLN 40 CO 0.04 0.06 0.03 -0.65 -1.93 0.00 0.00 178.83 176.38 1xqq s GLN 41 N -4.25 4.39 -0.29 1.69 -0.21 -1.06 -1.07 119.66 118.86 1xqq s GLN 41 Ca -0.03 0.78 0.03 0.00 0.02 0.00 0.00 55.36 56.16 1xqq s GLN 41 Cb 0.13 -3.41 0.08 0.00 1.00 0.00 0.00 33.01 30.81 1xqq s GLN 41 CO 0.54 0.18 -0.05 0.50 -2.12 0.00 0.00 175.29 174.35 1xqq s ARG 42 N 0.43 1.94 -0.07 2.91 3.52 -0.99 -4.95 118.95 121.74 1xqq s ARG 42 Ca 0.34 -1.55 -0.18 0.00 -0.13 0.00 0.00 55.73 54.21 1xqq s ARG 42 Cb -0.18 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1xqq s ARG 42 CO 0.17 -0.71 0.49 -0.51 -0.81 0.00 0.00 175.30 173.92 1xqq s LEU 43 N 1.03 4.34 -0.05 -0.88 1.43 -1.26 -1.67 118.68 121.61 1xqq s LEU 43 Ca -0.01 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1xqq s LEU 43 Cb -0.20 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1xqq s LEU 43 CO -0.06 0.08 0.01 -0.63 0.23 0.00 0.00 176.35 175.98 1xqq s ILE 44 N 0.16 4.32 0.00 -0.59 1.01 0.16 -4.64 121.20 121.62 1xqq s ILE 44 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xqq s ILE 44 Cb -0.16 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1xqq s ILE 44 CO 0.12 0.51 0.00 0.33 0.00 0.00 0.00 174.94 175.90 1xqq n PHE 45 N 1.82 0.00 0.00 3.97 7.35 -1.26 -0.53 117.46 128.81 1xqq n PHE 45 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1xqq n PHE 45 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -1.66 2.43 0.00 3.13 0.00 -1.26 -4.56 120.51 118.59 1xqq n ALA 46 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 3.29 0.00 3.86 0.00 0.00 -1.26 -5.12 105.19 105.95 1xqq n GLY 47 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.18 3.12 -0.03 1.61 1.02 -1.26 -5.04 119.74 117.99 1xqq s LYS 48 Ca 0.00 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 1xqq s LYS 48 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1xqq s LYS 48 CO 0.00 0.49 0.69 -0.65 -0.92 0.00 0.00 175.35 174.97 1xqq s GLN 49 N -3.22 4.43 0.12 1.68 -1.52 -1.26 -4.75 119.66 115.14 1xqq s GLN 49 Ca 0.32 0.90 -0.10 0.00 -1.95 0.00 0.00 55.36 54.53 1xqq s GLN 49 Cb -0.10 -3.41 -0.06 0.00 -0.22 0.00 0.00 33.01 29.22 1xqq s GLN 49 CO 0.26 0.18 0.46 -0.51 -0.25 0.00 0.00 175.29 175.42 1xqq s LEU 50 N 0.39 4.31 0.18 2.90 1.43 -1.26 -5.08 118.68 121.56 1xqq s LEU 50 Ca 0.36 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1xqq s LEU 50 Cb -0.18 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1xqq s LEU 50 CO 0.19 0.11 0.37 -1.61 0.23 0.00 0.00 176.35 175.64 1xqq s GLU 51 N -2.12 3.53 0.03 1.70 2.02 -1.26 -5.05 118.70 117.55 1xqq s GLU 51 Ca 0.37 -0.32 -0.23 0.00 0.02 0.00 0.00 54.97 54.82 1xqq s GLU 51 Cb -0.14 -2.86 -0.12 0.00 0.10 0.00 0.00 34.13 31.11 1xqq s GLU 51 CO 0.19 0.43 1.20 -0.44 0.02 0.00 0.00 175.26 176.67 1xqq h ASP 52 N 2.23 -0.69 -0.35 -0.19 3.32 -1.98 -3.22 116.42 115.54 1xqq h ASP 52 Ca -0.47 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.38 1xqq h ASP 52 Cb 1.18 0.18 -0.11 0.00 0.22 0.00 0.00 39.33 40.81 1xqq h ASP 52 CO 0.69 -0.45 0.28 0.61 -1.72 0.00 0.00 179.24 178.65 1xqq n GLY 53 N -1.02 3.33 3.82 2.75 0.00 -1.26 -2.10 105.19 110.71 1xqq n GLY 53 Ca -0.10 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.27 2.83 0.50 1.61 0.52 -1.22 -4.94 118.95 116.98 1xqq s ARG 54 Ca 0.22 -1.14 0.06 0.00 -0.52 0.00 0.00 55.73 54.35 1xqq s ARG 54 Cb 0.18 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 33.17 1xqq s ARG 54 CO 0.02 0.33 0.68 0.95 0.02 0.00 0.00 175.30 177.30 1xqq s THR 55 N -2.19 2.72 0.33 0.02 -4.23 -1.26 -2.37 115.64 108.65 1xqq s THR 55 Ca 0.35 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1xqq s THR 55 Cb -0.07 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.21 1xqq s THR 55 CO 0.25 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.25 1xqq h LEU 56 N 0.35 0.82 0.00 4.79 3.38 -1.44 -3.10 115.31 120.11 1xqq h LEU 56 Ca -0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1xqq h LEU 56 Cb 1.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xqq h LEU 56 CO 0.46 0.59 -0.09 -0.24 0.09 0.00 0.00 178.44 179.24 1xqq n SER 57 N -4.43 0.19 -0.06 -0.43 2.88 -1.25 -1.35 113.62 109.17 1xqq n SER 57 Ca 0.08 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.87 1xqq n SER 57 Cb 0.05 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 1xqq n SER 57 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1xqq h ASP 58 N 0.00 -0.00 1.66 -3.46 3.32 -1.91 -3.37 116.42 112.65 1xqq h ASP 58 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.15 1xqq h ASP 58 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xqq h ASP 58 CO 0.00 0.89 -0.35 1.88 -1.72 0.00 0.00 179.24 179.95 1xqq h TYR 59 N -0.91 0.00 -3.89 4.55 0.05 -1.62 -3.49 116.97 111.67 1xqq h TYR 59 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1xqq h TYR 59 Cb 0.88 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.65 1xqq h TYR 59 CO 0.24 0.07 -0.13 0.09 -1.05 0.00 0.00 178.16 177.38 1xqq n ASN 60 N -3.00 -3.97 -4.22 3.88 3.02 -0.46 -5.04 115.26 105.47 1xqq n ASN 60 Ca 0.02 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 1xqq n ASN 60 Cb 0.57 -2.45 -0.07 0.00 -0.61 0.00 0.00 39.78 37.22 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 -3.06 4.56 0.00 2.41 1.01 -0.86 -5.06 121.20 120.20 1xqq s ILE 61 Ca 0.07 -2.39 0.00 0.00 0.00 0.00 0.00 60.65 58.33 1xqq s ILE 61 Cb -0.01 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1xqq s ILE 61 CO 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 174.94 174.32 1xqq n GLN 62 N 4.14 0.75 -1.87 2.79 6.02 -1.26 -4.84 117.38 123.11 1xqq n GLN 62 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 1xqq n GLN 62 Cb 0.42 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.66 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 -1.39 4.18 -0.65 -1.09 -2.85 -1.26 -3.18 119.74 113.50 1xqq s LYS 63 Ca 0.00 2.47 0.00 0.00 -1.00 0.00 0.00 55.97 57.44 1xqq s LYS 63 Cb 0.00 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1xqq s LYS 63 CO 0.00 -0.56 0.00 0.39 0.10 0.00 0.00 175.35 175.28 1xqq n GLU 64 N 2.32 -0.84 -1.85 1.78 1.02 0.64 -5.00 120.64 118.71 1xqq n GLU 64 Ca 0.08 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.42 1xqq n GLU 64 Cb 0.38 -4.47 -0.00 0.00 -0.02 0.00 0.00 31.44 27.33 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 -2.52 6.35 -0.32 1.62 0.01 -1.19 -4.81 113.70 112.83 1xqq s SER 65 Ca 0.00 2.98 -0.05 0.00 1.31 0.00 0.00 55.95 60.19 1xqq s SER 65 Cb 0.00 -2.66 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.86 0.07 -0.89 0.41 0.00 0.00 173.24 171.98 1xqq s THR 66 N -1.13 3.63 0.51 1.44 2.01 -1.26 -0.93 115.64 119.90 1xqq s THR 66 Ca 0.53 -1.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 1xqq s THR 66 Cb -0.45 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1xqq s THR 66 CO 0.61 -0.10 0.99 -0.76 -0.69 0.00 0.00 174.62 174.67 1xqq s LEU 67 N 1.39 3.67 -0.04 4.42 1.43 0.13 -4.88 118.68 124.80 1xqq s LEU 67 Ca -0.02 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1xqq s LEU 67 Cb -0.19 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 1xqq s LEU 67 CO 0.02 -0.64 -0.23 -2.28 0.23 0.00 0.00 176.35 173.44 1xqq s HIS 68 N -2.49 2.17 -0.16 0.29 5.65 0.31 -0.20 115.29 120.87 1xqq s HIS 68 Ca 0.61 -0.53 -0.00 0.00 0.25 0.00 0.00 55.06 55.38 1xqq s HIS 68 Cb -0.11 -1.42 -0.00 0.00 -1.18 0.00 0.00 32.58 29.87 1xqq s HIS 68 CO 0.28 -0.12 -0.15 -1.17 -0.65 0.00 0.00 174.74 172.93 1xqq s LEU 69 N -0.32 2.49 -0.06 8.88 2.96 -0.36 0.38 118.68 132.65 1xqq s LEU 69 Ca 0.02 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1xqq s LEU 69 Cb -0.11 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1xqq s LEU 69 CO 0.01 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 1xqq s VAL 70 N 0.87 3.42 -0.04 1.68 1.01 -0.67 -2.09 120.40 124.57 1xqq s VAL 70 Ca -0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1xqq s VAL 70 Cb -0.15 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1xqq s VAL 70 CO -0.01 0.59 0.34 -0.76 0.00 0.00 0.00 175.10 175.26 1xqq s LEU 71 N -0.74 4.43 0.23 3.92 1.02 -1.26 -2.34 118.68 123.95 1xqq s LEU 71 Ca 0.11 0.81 0.12 0.00 0.02 0.00 0.00 54.13 55.19 1xqq s LEU 71 Cb -0.11 -2.45 -0.05 0.00 0.02 0.00 0.00 46.19 43.60 1xqq s LEU 71 CO 0.01 0.32 -0.21 -0.60 0.02 0.00 0.00 176.35 175.89 1xqq s ARG 72 N -0.91 1.63 -0.04 1.70 3.52 -0.23 -5.00 118.95 119.61 1xqq s ARG 72 Ca 0.21 -1.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.13 1xqq s ARG 72 Cb -0.15 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1xqq s ARG 72 CO 0.10 0.37 -0.11 -0.11 -0.81 0.00 0.00 175.30 174.74 1xqq n LEU 73 N -0.18 0.94 -3.65 -0.88 7.94 -1.26 -4.69 117.00 115.22 1xqq n LEU 73 Ca -0.09 0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 54.92 1xqq n LEU 73 Cb 0.58 -0.34 -0.05 0.00 0.53 0.00 0.00 43.42 44.13 1xqq n LEU 73 CO 0.34 -0.16 0.28 -0.60 -1.11 0.00 0.00 177.39 176.14 1xqq s ARG 74 N -2.21 0.61 0.00 1.96 6.06 -1.26 -5.00 118.95 119.11 1xqq s ARG 74 Ca -0.11 1.36 0.00 0.00 -2.50 0.00 0.00 55.73 54.48 1xqq s ARG 74 Cb 0.03 0.59 0.00 0.00 0.06 0.00 0.00 34.95 35.64 1xqq s ARG 74 CO 0.14 -0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.17 1xqq n GLY 75 N 5.04 0.00 0.00 8.12 0.00 -1.26 -5.27 105.19 111.82 1xqq n GLY 75 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93