#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 3.89 0.21 3.17 0.00 -1.26 -0.67 119.66 125.00 1xqq s GLN 2 Ca 0.00 -0.25 0.08 0.00 -0.00 0.00 0.00 55.36 55.19 1xqq s GLN 2 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 33.01 29.70 1xqq s GLN 2 CO 0.00 0.42 0.04 0.96 0.00 0.00 0.00 175.29 176.71 1xqq s ILE 3 N -0.02 3.83 -0.12 3.63 -4.36 0.26 -0.48 121.20 123.94 1xqq s ILE 3 Ca 0.08 -1.51 -0.10 0.00 -0.26 0.00 0.00 60.65 58.86 1xqq s ILE 3 Cb -0.12 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.57 1xqq s ILE 3 CO 0.00 -0.21 0.22 -0.36 0.24 0.00 0.00 174.94 174.83 1xqq s PHE 4 N -1.94 3.55 -0.18 1.37 0.08 0.12 -2.04 117.98 118.95 1xqq s PHE 4 Ca 0.29 0.58 -0.00 0.00 0.12 0.00 0.00 56.93 57.93 1xqq s PHE 4 Cb -0.08 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1xqq s PHE 4 CO 0.20 0.52 -0.16 0.08 -0.10 0.00 0.00 175.22 175.77 1xqq s VAL 5 N -0.42 2.49 -0.20 -0.44 1.01 0.07 -0.46 120.40 122.45 1xqq s VAL 5 Ca 0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1xqq s VAL 5 Cb -0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1xqq s VAL 5 CO 0.04 0.51 0.08 -0.75 0.00 0.00 0.00 175.10 174.99 1xqq s LYS 6 N 1.18 4.00 0.62 2.72 2.20 0.09 0.44 119.74 131.00 1xqq s LYS 6 Ca 0.02 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 1xqq s LYS 6 Cb -0.14 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 32.98 1xqq s LYS 6 CO -0.07 0.23 0.85 0.95 -0.36 0.00 0.00 175.35 176.95 1xqq s THR 7 N 0.51 2.27 0.11 3.43 -4.23 0.22 0.02 115.64 117.97 1xqq s THR 7 Ca 0.05 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 1xqq s THR 7 Cb -0.12 -2.47 -0.22 0.00 1.34 0.00 0.00 72.50 71.03 1xqq s THR 7 CO 0.00 0.00 1.23 0.25 -0.54 0.00 0.00 174.62 175.57 1xqq h LEU 8 N -0.07 0.03 0.02 4.79 5.85 -1.81 -3.36 115.31 120.75 1xqq h LEU 8 Ca -0.35 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1xqq h LEU 8 Cb 1.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1xqq h LEU 8 CO 0.42 1.02 -0.01 0.71 -0.34 0.00 0.00 178.44 180.25 1xqq h THR 9 N 0.00 0.00 0.00 1.05 1.35 -1.95 -3.49 112.91 109.88 1xqq h THR 9 Ca -0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1xqq h THR 9 Cb 1.80 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1xqq h THR 9 CO 0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1xqq n GLY 10 N 0.24 0.00 3.76 5.82 0.00 -1.26 -5.14 105.19 108.61 1xqq n GLY 10 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.03 -0.31 1.61 2.20 -1.26 -4.89 119.74 121.12 1xqq s LYS 11 Ca 0.00 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1xqq s LYS 11 Cb 0.00 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1xqq s LYS 11 CO 0.00 0.41 0.05 0.99 -0.36 0.00 0.00 175.35 176.43 1xqq s THR 12 N 0.05 3.44 0.04 3.43 2.01 -1.26 -0.61 115.64 122.74 1xqq s THR 12 Ca 0.10 -1.14 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 1xqq s THR 12 Cb -0.11 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1xqq s THR 12 CO -0.00 -0.07 0.32 -0.63 -0.69 0.00 0.00 174.62 173.55 1xqq s ILE 13 N 1.36 5.23 -0.34 1.82 1.01 0.17 -4.89 121.20 125.56 1xqq s ILE 13 Ca -0.02 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 1xqq s ILE 13 Cb -0.19 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1xqq s ILE 13 CO 0.01 0.30 0.15 -0.89 0.00 0.00 0.00 174.94 174.51 1xqq s THR 14 N -1.37 4.28 -0.14 2.92 2.01 -1.26 -0.75 115.64 121.32 1xqq s THR 14 Ca 0.31 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1xqq s THR 14 Cb -0.13 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1xqq s THR 14 CO 0.18 -0.10 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.17 1xqq s LEU 15 N 1.52 2.99 -0.15 4.42 1.43 -0.86 -4.99 118.68 123.03 1xqq s LEU 15 Ca 0.02 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 15 Cb -0.18 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1xqq s LEU 15 CO 0.05 0.17 0.23 -0.70 0.23 0.00 0.00 176.35 176.33 1xqq s GLU 16 N 0.33 4.09 0.17 1.70 2.12 -1.26 -0.57 118.70 125.28 1xqq s GLU 16 Ca -0.07 -0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.08 1xqq s GLU 16 Cb -0.15 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.90 1xqq s GLU 16 CO 0.04 0.37 0.51 0.14 -0.54 0.00 0.00 175.26 175.78 1xqq s VAL 17 N 0.09 0.03 0.25 3.70 -7.23 0.15 -4.99 120.40 112.41 1xqq s VAL 17 Ca 0.14 -0.60 -0.04 0.00 -1.81 0.00 0.00 61.98 59.67 1xqq s VAL 17 Cb -0.13 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 1xqq s VAL 17 CO 0.03 -0.15 0.49 -1.61 -0.31 0.00 0.00 175.10 173.55 1xqq s GLU 18 N -3.84 3.61 0.56 4.82 0.41 -1.26 -0.59 118.70 122.42 1xqq s GLU 18 Ca 0.06 -0.08 0.27 0.00 -0.41 0.00 0.00 54.97 54.81 1xqq s GLU 18 Cb -0.00 -2.72 1.66 0.00 -1.78 0.00 0.00 34.13 31.29 1xqq s GLU 18 CO -0.07 0.29 2.21 -1.35 -0.49 0.00 0.00 175.26 175.85 1xqq h PRO 19 N 1.92 0.00 0.00 0.39 0.11 -1.95 -2.97 132.00 129.51 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xqq h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xqq h PRO 19 CO 0.67 0.03 -0.18 0.66 -0.21 0.00 0.00 178.00 178.97 1xqq h SER 20 N 0.00 0.00 -3.99 -2.05 4.64 -1.95 0.21 113.55 110.41 1xqq h SER 20 Ca -0.00 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 1xqq h SER 20 Cb 0.06 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.27 1xqq h SER 20 CO 0.00 0.02 0.69 -1.81 -0.87 0.00 0.00 176.83 174.87 1xqq s ASP 21 N -4.95 5.85 0.26 4.97 1.01 -1.12 -4.72 116.67 117.97 1xqq s ASP 21 Ca 0.08 2.91 0.03 0.00 0.71 0.00 0.00 52.55 56.27 1xqq s ASP 21 Cb 0.10 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1xqq s ASP 21 CO 0.65 -1.19 0.42 0.42 0.21 0.00 0.00 175.17 175.67 1xqq s THR 22 N -1.21 5.21 0.20 -1.27 -4.23 -1.26 -1.92 115.64 111.16 1xqq s THR 22 Ca 0.61 -0.71 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 1xqq s THR 22 Cb -0.43 -3.83 0.14 0.00 1.34 0.00 0.00 72.50 69.71 1xqq s THR 22 CO 0.56 -0.36 1.73 0.40 -0.54 0.00 0.00 174.62 176.41 1xqq h ILE 23 N 1.14 0.72 -0.54 2.99 1.08 -1.21 0.14 117.51 121.83 1xqq h ILE 23 Ca -0.50 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 1xqq h ILE 23 Cb 1.22 0.37 -0.11 0.00 -3.07 0.00 0.00 36.82 35.23 1xqq h ILE 23 CO 0.63 0.06 -0.39 -0.08 -0.69 0.00 0.00 178.15 177.68 1xqq h GLU 24 N 0.32 -0.21 -0.75 2.37 4.81 -1.39 0.13 114.58 119.87 1xqq h GLU 24 Ca 0.30 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.68 1xqq h GLU 24 Cb 0.40 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1xqq h GLU 24 CO -0.34 -0.14 0.50 -0.97 -0.73 0.00 0.00 179.01 177.33 1xqq h ASN 25 N -0.22 0.42 0.74 1.04 -0.73 -1.64 -0.86 115.58 114.33 1xqq h ASN 25 Ca 0.19 0.02 -0.26 0.00 1.87 0.00 0.00 56.30 58.13 1xqq h ASN 25 Cb 0.56 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1xqq h ASN 25 CO -0.66 0.23 -1.19 0.58 -0.37 0.00 0.00 177.43 176.02 1xqq h VAL 26 N 0.45 1.54 -0.32 2.57 2.07 -0.10 -2.72 116.25 119.75 1xqq h VAL 26 Ca 0.36 -3.16 -0.10 0.00 0.82 0.00 0.00 66.70 64.62 1xqq h VAL 26 Cb 0.78 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1xqq h VAL 26 CO -0.12 0.91 -0.22 0.11 0.02 0.00 0.00 177.57 178.27 1xqq h LYS 27 N 0.05 0.60 -0.50 1.57 1.57 0.56 -1.69 116.57 118.73 1xqq h LYS 27 Ca -0.10 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1xqq h LYS 27 Cb 1.91 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 1xqq h LYS 27 CO 0.18 0.78 0.15 0.00 -0.57 0.00 0.00 179.45 179.99 1xqq h ALA 28 N 1.23 1.33 0.02 3.86 0.00 -1.31 -1.18 119.26 123.21 1xqq h ALA 28 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xqq h ALA 28 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xqq h ALA 28 CO 0.05 0.48 -0.01 -0.22 0.00 0.00 0.00 179.25 179.55 1xqq h LYS 29 N 0.72 -0.03 -0.46 0.00 3.64 -1.08 -2.52 116.57 116.84 1xqq h LYS 29 Ca 0.17 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 1xqq h LYS 29 Cb 0.22 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1xqq h LYS 29 CO -0.01 0.21 0.04 0.82 -2.27 0.00 0.00 179.45 178.24 1xqq h ILE 30 N -0.27 0.68 -0.76 2.00 2.04 -1.31 -1.80 117.51 118.09 1xqq h ILE 30 Ca -0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1xqq h ILE 30 Cb 0.25 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1xqq h ILE 30 CO 0.01 0.03 0.51 -0.61 0.00 0.00 0.00 178.15 178.08 1xqq h GLN 31 N 0.16 0.97 0.08 2.37 -0.00 -1.18 -2.27 115.11 115.23 1xqq h GLN 31 Ca 0.23 -0.06 -0.28 0.00 -0.00 0.00 0.00 58.65 58.55 1xqq h GLN 31 Cb 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 27.48 27.61 1xqq h GLN 31 CO -0.35 0.64 -1.15 0.22 0.00 0.00 0.00 178.83 178.19 1xqq h ASP 32 N 1.00 0.76 0.18 -0.69 3.58 -1.30 -2.23 116.42 117.72 1xqq h ASP 32 Ca 0.29 -0.68 -0.27 0.00 0.42 0.00 0.00 57.03 56.80 1xqq h ASP 32 Cb -0.05 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 40.78 1xqq h ASP 32 CO -0.07 1.49 -1.21 0.11 -2.88 0.00 0.00 179.24 176.68 1xqq h LYS 33 N 0.26 0.39 0.00 0.28 1.79 -1.28 -3.40 116.57 114.61 1xqq h LYS 33 Ca -0.15 -0.67 -0.42 0.00 -2.18 0.00 0.00 60.65 57.23 1xqq h LYS 33 Cb 1.82 0.25 -0.07 0.00 -1.58 0.00 0.00 32.23 32.65 1xqq h LYS 33 CO 0.21 1.32 -2.48 0.39 -1.08 0.00 0.00 179.45 177.81 1xqq n GLU 34 N -3.91 0.63 -1.14 3.15 -0.58 -0.86 -5.04 120.64 112.88 1xqq n GLU 34 Ca -0.17 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xqq n GLU 34 Cb 0.96 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 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 1.83 0.70 3.71 0.62 0.00 -0.84 -5.05 105.19 106.16 1xqq n GLY 35 Ca -0.49 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.25 4.99 0.58 -0.61 1.01 -1.26 -5.04 121.20 118.62 1xqq s ILE 36 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.54 1xqq s ILE 36 Cb 0.00 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1xqq s ILE 36 CO 0.00 0.51 1.02 -2.84 0.00 0.00 0.00 174.94 173.63 1xqq s PRO 37 N -0.12 3.64 0.48 2.79 0.02 -1.26 -3.82 135.00 136.73 1xqq s PRO 37 Ca 0.08 0.91 0.26 0.00 0.02 0.00 0.00 61.00 62.27 1xqq s PRO 37 Cb -0.12 -2.09 1.17 0.00 0.02 0.00 0.00 34.50 33.49 1xqq s PRO 37 CO 0.01 -0.53 1.94 -1.35 -0.33 0.00 0.00 177.00 176.73 1xqq h PRO 38 N 0.24 0.00 0.00 5.54 0.11 -1.96 -1.27 132.00 134.65 1xqq h PRO 38 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xqq h PRO 38 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xqq h PRO 38 CO 0.61 0.17 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.11 1xqq h ASP 39 N 0.00 0.00 0.64 -2.05 3.32 -1.97 -0.93 116.42 115.43 1xqq h ASP 39 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1xqq h ASP 39 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1xqq h ASP 39 CO 0.02 0.02 -0.83 1.56 -1.72 0.00 0.00 179.24 178.29 1xqq h GLN 40 N 0.00 0.13 -4.41 3.56 4.20 -1.55 -3.45 115.11 113.59 1xqq h GLN 40 Ca -0.00 -0.14 -0.74 0.00 0.06 0.00 0.00 58.65 57.83 1xqq h GLN 40 Cb 0.05 0.04 -0.22 0.00 0.30 0.00 0.00 27.48 27.65 1xqq h GLN 40 CO 0.00 0.89 0.51 -0.65 -0.67 0.00 0.00 178.83 178.90 1xqq s GLN 41 N -3.23 3.65 -0.35 1.46 -0.21 -0.36 -2.78 119.66 117.85 1xqq s GLN 41 Ca -0.02 -2.18 -0.22 0.00 0.02 0.00 0.00 55.36 52.96 1xqq s GLN 41 Cb 0.11 -4.69 0.00 0.00 1.00 0.00 0.00 33.01 29.43 1xqq s GLN 41 CO 0.81 -1.53 0.74 1.03 -2.12 0.00 0.00 175.29 174.22 1xqq s ARG 42 N 1.32 3.78 -0.23 2.91 0.52 -0.70 -4.95 118.95 121.60 1xqq s ARG 42 Ca 0.26 0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 55.58 1xqq s ARG 42 Cb -0.07 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 1xqq s ARG 42 CO -0.09 -0.77 0.55 -0.51 0.02 0.00 0.00 175.30 174.50 1xqq s LEU 43 N 2.94 4.10 -0.13 2.53 1.43 -1.26 0.39 118.68 128.67 1xqq s LEU 43 Ca 0.29 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1xqq s LEU 43 Cb -0.14 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1xqq s LEU 43 CO 0.15 -0.26 -0.05 -0.63 0.23 0.00 0.00 176.35 175.79 1xqq s ILE 44 N 2.07 3.80 -0.41 -0.59 -1.09 0.14 -0.38 121.20 124.75 1xqq s ILE 44 Ca 0.24 -0.40 -0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1xqq s ILE 44 Cb -0.16 -2.64 0.07 0.00 -1.58 0.00 0.00 42.46 38.16 1xqq s ILE 44 CO 0.09 0.52 0.24 0.12 -1.23 0.00 0.00 174.94 174.68 1xqq s PHE 45 N 0.09 3.34 0.00 3.97 5.36 -0.29 -1.44 117.98 129.00 1xqq s PHE 45 Ca -0.01 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1xqq s PHE 45 Cb -0.14 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 1xqq s PHE 45 CO 0.03 -0.83 0.00 0.00 -1.46 0.00 0.00 175.22 172.96 1xqq n ALA 46 N 4.89 0.00 0.00 11.12 0.00 -1.26 -1.78 120.51 133.48 1xqq n ALA 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 3.62 0.00 0.00 -1.26 -5.07 105.19 102.48 1xqq n GLY 47 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -1.90 2.75 0.24 1.61 -2.85 -0.74 -5.04 119.74 113.82 1xqq s LYS 48 Ca 0.00 -0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 54.09 1xqq s LYS 48 Cb 0.00 -2.62 -0.09 0.00 -2.06 0.00 0.00 37.83 33.06 1xqq s LYS 48 CO 0.00 0.65 0.95 -1.14 0.10 0.00 0.00 175.35 175.90 1xqq s GLN 49 N -1.13 4.85 -0.07 1.78 0.74 -1.26 -1.14 119.66 123.43 1xqq s GLN 49 Ca 0.15 1.50 -0.26 0.00 0.05 0.00 0.00 55.36 56.80 1xqq s GLN 49 Cb -0.11 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1xqq s GLN 49 CO 0.05 0.51 0.81 -0.51 -0.55 0.00 0.00 175.29 175.59 1xqq s LEU 50 N -1.21 4.30 0.11 3.68 1.43 0.48 -4.90 118.68 122.57 1xqq s LEU 50 Ca 0.41 1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 54.57 1xqq s LEU 50 Cb -0.26 -3.25 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 1xqq s LEU 50 CO 0.32 -0.21 0.81 -0.70 0.23 0.00 0.00 176.35 176.79 1xqq s GLU 51 N 1.13 4.57 0.09 1.70 2.56 -1.26 -4.74 118.70 122.75 1xqq s GLU 51 Ca 0.42 1.18 -0.21 0.00 0.00 0.00 0.00 54.97 56.36 1xqq s GLU 51 Cb -0.18 -3.32 -0.06 0.00 2.00 0.00 0.00 34.13 32.56 1xqq s GLU 51 CO 0.20 0.39 1.35 -0.44 -0.56 0.00 0.00 175.26 176.20 1xqq h ASP 52 N 5.08 -1.31 -0.05 -1.70 5.19 -1.96 -3.18 116.42 118.50 1xqq h ASP 52 Ca -0.45 0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 1xqq h ASP 52 Cb 1.21 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 41.26 1xqq h ASP 52 CO 0.69 -0.20 0.04 0.61 -3.12 0.00 0.00 179.24 177.26 1xqq n GLY 53 N -1.20 2.51 3.13 2.75 0.00 -1.26 -1.10 105.19 110.01 1xqq n GLY 53 Ca -0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 0.76 0.41 1.61 0.52 -1.20 -5.01 118.95 115.86 1xqq s ARG 54 Ca 0.03 -0.81 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1xqq s ARG 54 Cb 0.02 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 1xqq s ARG 54 CO 0.00 0.16 0.71 0.95 0.02 0.00 0.00 175.30 177.15 1xqq s THR 55 N -1.12 4.92 0.24 0.02 -4.23 -1.26 -1.47 115.64 112.74 1xqq s THR 55 Ca -0.03 0.22 0.14 0.00 -1.18 0.00 0.00 61.69 60.85 1xqq s THR 55 Cb -0.09 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.00 1xqq s THR 55 CO 0.01 -0.63 1.69 -0.07 -0.54 0.00 0.00 174.62 175.08 1xqq h LEU 56 N 0.84 0.00 -0.28 4.79 3.38 -0.57 -2.14 115.31 121.33 1xqq h LEU 56 Ca -0.47 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 56 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1xqq h LEU 56 CO 0.63 0.49 -0.11 -1.28 0.09 0.00 0.00 178.44 178.26 1xqq h SER 57 N 0.00 0.58 -0.97 -0.43 0.87 -0.93 0.21 113.55 112.89 1xqq h SER 57 Ca -0.00 -0.39 0.08 0.00 -1.23 0.00 0.00 61.79 60.24 1xqq h SER 57 Cb 0.96 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 1xqq h SER 57 CO 0.06 0.84 0.61 -0.78 -0.53 0.00 0.00 176.83 177.04 1xqq h ASP 58 N 0.31 0.95 1.31 6.23 3.58 -1.68 -2.29 116.42 124.83 1xqq h ASP 58 Ca 0.07 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1xqq h ASP 58 Cb 0.61 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1xqq h ASP 58 CO 0.04 0.57 -0.48 1.88 -2.88 0.00 0.00 179.24 178.37 1xqq h TYR 59 N 1.06 0.00 -1.16 0.28 0.05 -1.37 -3.48 116.97 112.35 1xqq h TYR 59 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 1xqq h TYR 59 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1xqq h TYR 59 CO -0.01 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.19 1xqq n ASN 60 N -2.58 -1.61 -4.64 3.88 4.13 0.42 -5.02 115.26 109.84 1xqq n ASN 60 Ca 0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 1xqq n ASN 60 Cb 0.50 -0.40 -0.02 0.00 -1.54 0.00 0.00 39.78 38.31 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 -2.72 4.48 0.74 2.41 -1.09 0.45 -5.02 121.20 120.45 1xqq s ILE 61 Ca 0.00 1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 60.14 1xqq s ILE 61 Cb 0.00 -4.34 0.14 0.00 -1.58 0.00 0.00 42.46 36.67 1xqq s ILE 61 CO 0.00 -0.41 1.01 -1.10 -1.23 0.00 0.00 174.94 173.22 1xqq s GLN 62 N 3.62 1.59 0.71 2.79 -1.52 -1.26 -4.80 119.66 120.79 1xqq s GLN 62 Ca 0.47 -1.14 -0.15 0.00 -1.95 0.00 0.00 55.36 52.59 1xqq s GLN 62 Cb -0.14 -2.31 0.03 0.00 -0.22 0.00 0.00 33.01 30.36 1xqq s GLN 62 CO 0.15 -1.52 1.16 -1.59 -0.25 0.00 0.00 175.29 173.24 1xqq s LYS 63 N -5.18 2.37 -1.25 2.91 -2.85 -1.26 -3.57 119.74 110.91 1xqq s LYS 63 Ca 0.67 1.59 -0.05 0.00 -1.00 0.00 0.00 55.97 57.18 1xqq s LYS 63 Cb -0.05 -1.88 0.01 0.00 -2.06 0.00 0.00 37.83 33.85 1xqq s LYS 63 CO 0.45 -1.62 0.63 0.39 0.10 0.00 0.00 175.35 175.30 1xqq n GLU 64 N -2.66 -4.75 -4.44 1.78 1.02 0.37 -4.99 120.64 106.97 1xqq n GLU 64 Ca 0.12 0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 57.67 1xqq n GLU 64 Cb 0.51 -5.31 -0.10 0.00 -0.02 0.00 0.00 31.44 26.53 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 -2.89 4.89 -0.33 1.62 0.15 -1.23 -4.86 113.70 111.05 1xqq s SER 65 Ca 0.31 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.81 1xqq s SER 65 Cb -0.14 -1.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 1xqq s SER 65 CO 0.39 0.32 0.33 -0.89 1.20 0.00 0.00 173.24 174.60 1xqq s THR 66 N -0.94 5.19 -0.01 6.45 2.01 -1.26 0.15 115.64 127.23 1xqq s THR 66 Ca 0.16 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1xqq s THR 66 Cb -0.11 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1xqq s THR 66 CO 0.05 -0.04 0.34 -0.76 -0.69 0.00 0.00 174.62 173.52 1xqq s LEU 67 N 1.96 4.42 -0.30 4.42 1.43 0.39 -4.77 118.68 126.24 1xqq s LEU 67 Ca 0.11 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1xqq s LEU 67 Cb -0.17 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.52 1xqq s LEU 67 CO 0.11 0.31 0.06 -2.28 0.23 0.00 0.00 176.35 174.78 1xqq s HIS 68 N -1.15 3.17 -0.58 0.29 2.46 -0.52 -0.73 115.29 118.23 1xqq s HIS 68 Ca 0.24 -1.25 -0.27 0.00 0.47 0.00 0.00 55.06 54.25 1xqq s HIS 68 Cb -0.15 -2.22 0.03 0.00 -0.13 0.00 0.00 32.58 30.12 1xqq s HIS 68 CO 0.13 -0.66 1.13 -1.17 -2.47 0.00 0.00 174.74 171.69 1xqq s LEU 69 N 1.43 3.62 -0.36 8.88 2.96 0.10 -0.68 118.68 134.63 1xqq s LEU 69 Ca 0.00 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 1xqq s LEU 69 Cb -0.18 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.49 1xqq s LEU 69 CO 0.01 -1.44 0.24 -0.69 -1.32 0.00 0.00 176.35 173.15 1xqq s VAL 70 N 4.73 5.09 0.13 1.68 1.01 0.16 -2.40 120.40 130.80 1xqq s VAL 70 Ca 0.39 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1xqq s VAL 70 Cb -0.09 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1xqq s VAL 70 CO 0.23 -0.10 0.57 -0.76 0.00 0.00 0.00 175.10 175.05 1xqq s LEU 71 N 1.68 4.39 0.16 3.92 1.43 -1.26 -1.72 118.68 127.28 1xqq s LEU 71 Ca 0.05 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.38 1xqq s LEU 71 Cb -0.18 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1xqq s LEU 71 CO 0.09 0.14 0.06 0.00 0.23 0.00 0.00 176.35 176.88 1xqq s ARG 72 N -1.73 2.66 0.35 1.70 1.70 -1.12 -5.01 118.95 117.50 1xqq s ARG 72 Ca 0.36 -0.97 -0.25 0.00 -0.47 0.00 0.00 55.73 54.40 1xqq s ARG 72 Cb -0.16 -2.51 -0.10 0.00 -0.57 0.00 0.00 34.95 31.61 1xqq s ARG 72 CO 0.19 0.48 0.98 -0.51 -1.08 0.00 0.00 175.30 175.36 1xqq s LEU 73 N -2.96 4.25 -0.01 -1.89 1.43 -1.26 -4.83 118.68 113.41 1xqq s LEU 73 Ca 0.29 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 1xqq s LEU 73 Cb -0.10 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 1xqq s LEU 73 CO 0.21 -0.21 1.77 -0.13 0.23 0.00 0.00 176.35 178.21 1xqq s ARG 74 N -2.27 4.17 0.00 1.70 0.52 -1.26 -3.29 118.95 118.51 1xqq s ARG 74 Ca 0.53 2.36 0.00 0.00 -0.52 0.00 0.00 55.73 58.10 1xqq s ARG 74 Cb -0.19 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1xqq s ARG 74 CO 0.24 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 175.10 1xqq n GLY 75 N 4.26 1.62 0.00 -3.53 0.00 -1.26 -5.20 105.19 101.07 1xqq n GLY 75 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93