#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 3.79 0.33 3.17 -0.21 -1.26 -0.22 119.66 125.25 1xqq s GLN 2 Ca 0.00 0.32 0.05 0.00 0.02 0.00 0.00 55.36 55.75 1xqq s GLN 2 Cb 0.00 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.39 1xqq s GLN 2 CO 0.00 0.19 0.02 0.96 -2.12 0.00 0.00 175.29 174.35 1xqq s ILE 3 N -2.02 1.42 0.06 1.08 -4.36 -0.59 -0.71 121.20 116.07 1xqq s ILE 3 Ca 0.48 -2.03 0.09 0.00 -0.26 0.00 0.00 60.65 58.94 1xqq s ILE 3 Cb -0.11 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.83 1xqq s ILE 3 CO 0.25 -0.08 -0.25 -0.36 0.24 0.00 0.00 174.94 174.74 1xqq s PHE 4 N -3.14 2.37 -0.16 1.37 0.08 0.58 -1.22 117.98 117.86 1xqq s PHE 4 Ca 0.35 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1xqq s PHE 4 Cb 0.08 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 1xqq s PHE 4 CO 0.15 0.20 -0.19 0.08 -0.10 0.00 0.00 175.22 175.36 1xqq s VAL 5 N -0.89 2.24 -0.25 -0.44 1.01 -0.23 -0.24 120.40 121.61 1xqq s VAL 5 Ca 0.13 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1xqq s VAL 5 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1xqq s VAL 5 CO 0.04 0.53 0.48 -0.75 0.00 0.00 0.00 175.10 175.40 1xqq s LYS 6 N 0.97 4.09 0.72 2.72 2.20 -0.04 -1.08 119.74 129.32 1xqq s LYS 6 Ca -0.03 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.73 1xqq s LYS 6 Cb -0.15 -3.63 0.17 0.00 -1.51 0.00 0.00 37.83 32.71 1xqq s LYS 6 CO -0.05 -0.28 0.91 0.25 -0.36 0.00 0.00 175.35 175.82 1xqq n THR 7 N 4.98 0.00 0.08 3.43 -2.24 0.10 -1.41 114.28 119.22 1xqq n THR 7 Ca -0.05 -0.63 -0.15 0.00 -2.27 0.00 0.00 64.05 60.95 1xqq n THR 7 Cb 0.50 -1.57 -0.14 0.00 -2.10 0.00 0.00 70.33 67.03 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 0.34 0.00 3.22 5.85 -1.87 -3.34 115.31 119.50 1xqq h LEU 8 Ca -0.30 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 57.84 1xqq h LEU 8 Cb 0.84 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1xqq h LEU 8 CO 0.21 1.33 -1.29 0.71 -0.34 0.00 0.00 178.44 179.06 1xqq h THR 9 N 0.06 0.64 0.00 1.05 1.35 -1.93 -3.47 112.91 110.61 1xqq h THR 9 Ca -0.16 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1xqq h THR 9 Cb 1.96 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 1xqq h THR 9 CO 0.17 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1xqq n GLY 10 N 1.38 0.71 3.57 5.82 0.00 -1.25 -5.15 105.19 110.27 1xqq n GLY 10 Ca -0.08 0.00 -0.31 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 2.39 -0.19 1.61 2.20 -1.26 -4.92 119.74 119.57 1xqq s LYS 11 Ca 0.00 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 54.75 1xqq s LYS 11 Cb 0.00 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1xqq s LYS 11 CO 0.00 0.57 -0.05 0.99 -0.36 0.00 0.00 175.35 176.51 1xqq s THR 12 N -1.04 3.51 -0.03 3.43 2.01 -1.26 0.01 115.64 122.27 1xqq s THR 12 Ca 0.18 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1xqq s THR 12 Cb -0.11 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1xqq s THR 12 CO 0.09 0.45 -0.07 0.27 -0.69 0.00 0.00 174.62 174.67 1xqq s ILE 13 N 1.06 3.67 -0.30 1.82 -4.36 -0.24 -4.95 121.20 117.90 1xqq s ILE 13 Ca 0.01 -0.62 -0.05 0.00 -0.26 0.00 0.00 60.65 59.73 1xqq s ILE 13 Cb -0.15 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.05 1xqq s ILE 13 CO 0.00 0.50 0.05 -0.89 0.24 0.00 0.00 174.94 174.85 1xqq s THR 14 N -0.90 3.62 -0.22 8.37 2.01 -1.26 -1.06 115.64 126.20 1xqq s THR 14 Ca 0.15 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1xqq s THR 14 Cb -0.11 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1xqq s THR 14 CO 0.04 -0.00 0.04 -0.76 -0.69 0.00 0.00 174.62 173.26 1xqq s LEU 15 N 1.41 3.47 -0.48 4.42 1.43 -0.36 -4.98 118.68 123.59 1xqq s LEU 15 Ca -0.00 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 15 Cb -0.18 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.21 1xqq s LEU 15 CO 0.01 0.05 0.49 -0.70 0.23 0.00 0.00 176.35 176.43 1xqq s GLU 16 N 1.09 3.04 0.06 1.70 2.12 -1.26 -1.55 118.70 123.90 1xqq s GLU 16 Ca 0.04 -1.15 0.05 0.00 0.36 0.00 0.00 54.97 54.26 1xqq s GLU 16 Cb -0.14 -4.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.10 1xqq s GLU 16 CO 0.03 -1.10 -0.13 0.14 -0.54 0.00 0.00 175.26 173.65 1xqq s VAL 17 N 2.05 1.02 0.36 3.70 -7.23 0.69 -4.89 120.40 116.09 1xqq s VAL 17 Ca 0.09 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.91 1xqq s VAL 17 Cb -0.22 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.66 1xqq s VAL 17 CO 0.09 -0.21 0.76 -1.61 -0.31 0.00 0.00 175.10 173.82 1xqq s GLU 18 N -1.61 3.93 0.00 4.82 2.02 -1.26 0.83 118.70 127.43 1xqq s GLU 18 Ca -0.03 0.63 0.28 0.00 0.02 0.00 0.00 54.97 55.87 1xqq s GLU 18 Cb -0.10 -2.40 1.13 0.00 0.10 0.00 0.00 34.13 32.87 1xqq s GLU 18 CO 0.02 0.07 1.81 -0.35 0.02 0.00 0.00 175.26 176.82 1xqq n PRO 19 N -0.75 0.52 -0.20 0.39 -0.04 -1.26 -1.47 135.00 132.19 1xqq n PRO 19 Ca 0.03 -0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1xqq n PRO 19 Cb 0.53 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.74 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.08 3.33 -4.82 3.54 7.64 -1.26 -1.53 113.62 119.43 1xqq n SER 20 Ca 0.12 -1.97 -0.32 0.00 1.01 0.00 0.00 58.87 57.72 1xqq n SER 20 Cb 0.29 -0.26 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.43 5.72 0.39 6.43 1.01 -0.54 -4.84 116.67 123.41 1xqq s ASP 21 Ca 0.39 1.66 0.03 0.00 0.71 0.00 0.00 52.55 55.34 1xqq s ASP 21 Cb 0.22 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 1xqq s ASP 21 CO 0.31 -1.21 0.57 0.42 0.21 0.00 0.00 175.17 175.47 1xqq s THR 22 N -2.83 4.16 -0.52 -1.27 -4.23 -1.26 -1.63 115.64 108.07 1xqq s THR 22 Ca 0.60 -0.72 0.26 0.00 -1.18 0.00 0.00 61.69 60.64 1xqq s THR 22 Cb -0.14 -3.49 0.30 0.00 1.34 0.00 0.00 72.50 70.51 1xqq s THR 22 CO 0.47 -0.28 1.75 0.40 -0.54 0.00 0.00 174.62 176.42 1xqq h ILE 23 N 0.66 0.00 -0.23 2.99 1.08 -0.88 -2.57 117.51 118.55 1xqq h ILE 23 Ca -0.47 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 63.42 1xqq h ILE 23 Cb 1.25 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1xqq h ILE 23 CO 0.56 0.00 0.07 -0.08 -0.69 0.00 0.00 178.15 178.00 1xqq h GLU 24 N 0.00 0.36 -0.06 2.37 4.81 -1.47 -1.82 114.58 118.77 1xqq h GLU 24 Ca 0.00 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1xqq h GLU 24 Cb 0.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1xqq h GLU 24 CO 0.00 0.46 -0.26 -0.97 -0.73 0.00 0.00 179.01 177.51 1xqq h ASN 25 N 0.20 0.10 -0.27 1.04 -0.73 -1.75 -1.94 115.58 112.23 1xqq h ASN 25 Ca 0.07 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.13 1xqq h ASN 25 Cb 0.25 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1xqq h ASN 25 CO -0.00 0.36 -0.16 0.58 -0.37 0.00 0.00 177.43 177.84 1xqq h VAL 26 N 0.10 1.30 -0.77 2.57 2.07 -1.26 -2.95 116.25 117.31 1xqq h VAL 26 Ca 0.02 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1xqq h VAL 26 Cb 0.51 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1xqq h VAL 26 CO 0.04 0.40 0.33 0.50 0.02 0.00 0.00 177.57 178.86 1xqq h LYS 27 N 0.32 1.13 -0.92 1.57 3.64 -1.27 -3.25 116.57 117.78 1xqq h LYS 27 Ca 0.06 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1xqq h LYS 27 Cb 0.69 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 1xqq h LYS 27 CO 0.05 0.90 0.57 0.00 -2.27 0.00 0.00 179.45 178.70 1xqq h ALA 28 N 1.25 1.28 -0.47 5.00 0.00 -1.23 -0.91 119.26 124.19 1xqq h ALA 28 Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1xqq h ALA 28 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1xqq h ALA 28 CO -0.03 0.31 0.32 0.87 0.00 0.00 0.00 179.25 180.72 1xqq h LYS 29 N 1.02 0.28 0.18 0.00 1.57 -1.55 0.14 116.57 118.20 1xqq h LYS 29 Ca 0.41 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.85 1xqq h LYS 29 Cb 0.22 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xqq h LYS 29 CO -0.19 0.19 -1.51 0.82 -0.57 0.00 0.00 179.45 178.19 1xqq h ILE 30 N 0.29 1.21 -0.83 1.86 2.04 -1.28 0.38 117.51 121.18 1xqq h ILE 30 Ca 0.21 -2.76 -0.03 0.00 1.00 0.00 0.00 64.86 63.28 1xqq h ILE 30 Cb 0.46 2.88 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 1xqq h ILE 30 CO -0.05 0.84 0.42 -0.61 0.00 0.00 0.00 178.15 178.75 1xqq h GLN 31 N 0.10 1.19 0.46 2.37 4.15 -0.65 -0.16 115.11 122.57 1xqq h GLN 31 Ca -0.25 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 58.99 1xqq h GLN 31 Cb 2.07 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.55 1xqq h GLN 31 CO 0.21 0.90 -0.22 -0.44 -1.93 0.00 0.00 178.83 177.35 1xqq h ASP 32 N 1.18 -0.52 0.04 -0.69 3.32 -0.75 -3.14 116.42 115.86 1xqq h ASP 32 Ca 0.29 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xqq h ASP 32 Cb 0.09 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1xqq h ASP 32 CO -0.04 -0.28 -0.02 0.11 -1.72 0.00 0.00 179.24 177.29 1xqq h LYS 33 N -0.74 -0.05 0.06 3.56 1.79 -0.89 -3.39 116.57 116.90 1xqq h LYS 33 Ca -0.06 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.06 1xqq h LYS 33 Cb 0.53 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 1xqq h LYS 33 CO 0.10 0.44 -2.04 0.39 -1.08 0.00 0.00 179.45 177.27 1xqq n GLU 34 N -4.74 0.70 -1.29 3.15 -0.58 -0.95 -5.05 120.64 111.87 1xqq n GLU 34 Ca -0.06 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1xqq n GLU 34 Cb 0.25 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.89 0.73 3.57 0.62 0.00 -0.11 -5.02 105.19 106.87 1xqq n GLY 35 Ca -0.30 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.66 3.94 0.45 -0.61 1.01 -1.24 -4.99 121.20 117.10 1xqq s ILE 36 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1xqq s ILE 36 Cb 0.00 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.72 1xqq s ILE 36 CO 0.00 0.56 1.13 -2.84 0.00 0.00 0.00 174.94 173.78 1xqq s PRO 37 N -0.35 3.86 0.00 2.79 0.02 -1.26 -4.20 135.00 135.86 1xqq s PRO 37 Ca 0.06 1.67 0.15 0.00 0.02 0.00 0.00 61.00 62.91 1xqq s PRO 37 Cb -0.12 -2.41 0.46 0.00 0.02 0.00 0.00 34.50 32.44 1xqq s PRO 37 CO 0.02 -0.44 1.37 -0.35 -0.33 0.00 0.00 177.00 177.27 1xqq n PRO 38 N -0.42 1.96 -0.02 5.54 -0.04 -1.26 -1.30 135.00 139.45 1xqq n PRO 38 Ca 0.07 -1.49 -0.22 0.00 -0.04 0.00 0.00 63.50 61.83 1xqq n PRO 38 Cb 0.49 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 2.55 0.29 -0.18 3.54 2.03 -1.95 -3.38 116.42 119.32 1xqq h ASP 39 Ca 0.00 -0.80 -0.16 0.00 -0.73 0.00 0.00 57.03 55.34 1xqq h ASP 39 Cb 0.58 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1xqq h ASP 39 CO 0.00 1.66 -0.52 1.56 -1.03 0.00 0.00 179.24 180.91 1xqq h GLN 40 N -0.37 0.67 -6.18 4.15 4.20 -1.60 -3.42 115.11 112.56 1xqq h GLN 40 Ca -0.35 -0.48 -0.57 0.00 0.06 0.00 0.00 58.65 57.30 1xqq h GLN 40 Cb 1.73 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.56 1xqq h GLN 40 CO -0.00 1.10 1.33 -0.65 -0.67 0.00 0.00 178.83 179.94 1xqq s GLN 41 N -3.91 3.22 -0.36 1.46 -0.21 -0.42 -1.47 119.66 117.96 1xqq s GLN 41 Ca -0.12 1.49 -0.09 0.00 0.02 0.00 0.00 55.36 56.66 1xqq s GLN 41 Cb 0.07 -4.25 0.03 0.00 1.00 0.00 0.00 33.01 29.87 1xqq s GLN 41 CO 0.85 -2.00 0.17 0.50 -2.12 0.00 0.00 175.29 172.69 1xqq s ARG 42 N 5.95 2.73 -0.42 2.91 3.52 -0.74 -4.93 118.95 127.96 1xqq s ARG 42 Ca 0.83 -1.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.16 1xqq s ARG 42 Cb -0.24 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1xqq s ARG 42 CO 0.33 -0.69 0.32 -1.17 -0.81 0.00 0.00 175.30 173.27 1xqq s LEU 43 N 1.49 5.21 0.01 -0.88 2.96 -1.26 -2.02 118.68 124.19 1xqq s LEU 43 Ca 0.00 -1.01 0.01 0.00 -0.22 0.00 0.00 54.13 52.92 1xqq s LEU 43 Cb -0.19 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1xqq s LEU 43 CO 0.05 -0.49 0.03 -0.63 -1.32 0.00 0.00 176.35 173.99 1xqq s ILE 44 N 1.66 4.35 -0.31 6.68 -1.09 0.29 -1.58 121.20 131.21 1xqq s ILE 44 Ca 0.05 -0.59 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1xqq s ILE 44 Cb -0.20 -2.98 0.10 0.00 -1.58 0.00 0.00 42.46 37.80 1xqq s ILE 44 CO 0.09 0.33 0.09 0.12 -1.23 0.00 0.00 174.94 174.33 1xqq s PHE 45 N -1.16 2.04 0.00 3.97 5.36 0.13 -1.60 117.98 126.72 1xqq s PHE 45 Ca 0.22 -1.94 0.00 0.00 -0.96 0.00 0.00 56.93 54.25 1xqq s PHE 45 Cb -0.12 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1xqq s PHE 45 CO 0.13 -0.89 0.00 0.00 -1.46 0.00 0.00 175.22 173.00 1xqq n ALA 46 N 4.75 0.00 -1.18 11.12 0.00 -1.26 -1.41 120.51 132.54 1xqq n ALA 46 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xqq n ALA 46 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.61 3.90 0.00 0.00 -1.26 -5.08 105.19 103.36 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 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N 0.00 3.48 -0.31 1.61 -0.14 -0.50 -5.09 119.74 118.80 1xqq s LYS 48 Ca 0.00 -0.26 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 1xqq s LYS 48 Cb 0.00 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 1xqq s LYS 48 CO 0.00 0.65 0.60 -1.14 -0.76 0.00 0.00 175.35 174.69 1xqq s GLN 49 N -2.02 3.88 0.19 1.68 0.74 -1.26 0.18 119.66 123.04 1xqq s GLN 49 Ca 0.29 0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.62 1xqq s GLN 49 Cb -0.13 -3.73 -0.10 0.00 1.10 0.00 0.00 33.01 30.16 1xqq s GLN 49 CO 0.20 -0.56 1.48 -0.51 -0.55 0.00 0.00 175.29 175.35 1xqq s LEU 50 N 2.54 4.38 0.07 3.68 1.43 -0.61 -5.01 118.68 125.16 1xqq s LEU 50 Ca 0.24 2.57 0.09 0.00 -1.03 0.00 0.00 54.13 55.99 1xqq s LEU 50 Cb -0.15 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1xqq s LEU 50 CO 0.12 -0.74 -0.22 -1.61 0.23 0.00 0.00 176.35 174.13 1xqq s GLU 51 N 0.56 1.85 0.53 1.70 2.02 -1.26 -4.59 118.70 119.51 1xqq s GLU 51 Ca 0.65 -1.10 0.22 0.00 0.02 0.00 0.00 54.97 54.76 1xqq s GLU 51 Cb -0.41 -2.07 1.44 0.00 0.10 0.00 0.00 34.13 33.18 1xqq s GLU 51 CO 0.35 0.51 2.14 -0.44 0.02 0.00 0.00 175.26 177.84 1xqq h ASP 52 N 4.40 0.00 -0.65 -0.19 5.19 -1.96 -3.24 116.42 119.96 1xqq h ASP 52 Ca -0.48 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.73 1xqq h ASP 52 Cb 1.16 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.55 1xqq h ASP 52 CO 0.45 0.06 0.21 0.61 -3.12 0.00 0.00 179.24 177.45 1xqq n GLY 53 N -1.20 3.87 3.38 2.75 0.00 -1.26 -1.25 105.19 111.47 1xqq n GLY 53 Ca -0.03 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.01 1.46 0.34 1.61 0.52 -1.22 -4.96 118.95 113.68 1xqq s ARG 54 Ca 0.53 -1.76 -0.02 0.00 -0.52 0.00 0.00 55.73 53.96 1xqq s ARG 54 Cb 0.43 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1xqq s ARG 54 CO 0.11 -0.09 0.57 0.95 0.02 0.00 0.00 175.30 176.87 1xqq s THR 55 N -3.30 5.06 0.43 0.02 -4.23 -1.26 -1.92 115.64 110.43 1xqq s THR 55 Ca 0.31 -0.20 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1xqq s THR 55 Cb 0.06 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1xqq s THR 55 CO 0.11 -0.49 1.96 -0.07 -0.54 0.00 0.00 174.62 175.58 1xqq h LEU 56 N 1.07 0.40 -0.19 4.79 3.38 -1.25 -2.69 115.31 120.81 1xqq h LEU 56 Ca -0.49 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1xqq h LEU 56 Cb 1.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.63 0.23 -0.50 -1.28 0.09 0.00 0.00 178.44 177.61 1xqq h SER 57 N 0.44 0.00 -0.22 -0.43 0.87 -1.56 -0.90 113.55 111.75 1xqq h SER 57 Ca 0.31 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1xqq h SER 57 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1xqq h SER 57 CO -0.09 0.50 0.12 -0.78 -0.53 0.00 0.00 176.83 176.04 1xqq h ASP 58 N 0.00 0.27 1.52 6.23 3.58 -1.78 -3.20 116.42 123.05 1xqq h ASP 58 Ca -0.01 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xqq h ASP 58 Cb 1.31 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1xqq h ASP 58 CO 0.07 0.29 -0.15 1.88 -2.88 0.00 0.00 179.24 178.45 1xqq h TYR 59 N 0.24 0.00 -5.87 0.28 0.05 -1.59 -3.48 116.97 106.59 1xqq h TYR 59 Ca 0.08 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.49 1xqq h TYR 59 Cb 0.08 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.93 1xqq h TYR 59 CO -0.03 0.00 -0.82 0.09 -1.05 0.00 0.00 178.16 176.35 1xqq n ASN 60 N -2.51 -2.20 -4.66 3.88 3.02 -0.86 -4.96 115.26 106.97 1xqq n ASN 60 Ca 0.04 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 1xqq n ASN 60 Cb 0.47 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 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 -3.52 3.52 0.87 2.41 -1.09 -0.40 -5.03 121.20 117.97 1xqq s ILE 61 Ca 0.07 0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 59.03 1xqq s ILE 61 Cb -0.01 -3.42 0.16 0.00 -1.58 0.00 0.00 42.46 37.61 1xqq s ILE 61 CO 0.78 -0.06 1.21 -1.10 -1.23 0.00 0.00 174.94 174.54 1xqq s GLN 62 N 4.02 1.11 0.08 2.79 -0.21 -1.26 -4.77 119.66 121.41 1xqq s GLN 62 Ca 0.75 -0.55 -0.28 0.00 0.02 0.00 0.00 55.36 55.30 1xqq s GLN 62 Cb -0.34 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.61 1xqq s GLN 62 CO 0.31 -2.02 0.88 0.15 -2.12 0.00 0.00 175.29 172.48 1xqq s LYS 63 N -5.63 4.61 -1.49 2.91 1.02 -1.26 -3.79 119.74 116.11 1xqq s LYS 63 Ca 0.70 1.29 -0.05 0.00 0.02 0.00 0.00 55.97 57.94 1xqq s LYS 63 Cb -0.05 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1xqq s LYS 63 CO 0.50 0.23 0.44 0.39 -0.92 0.00 0.00 175.35 175.99 1xqq n GLU 64 N 2.84 -3.89 -2.31 1.68 1.02 0.11 -4.98 120.64 115.11 1xqq n GLU 64 Ca 0.00 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 1xqq n GLU 64 Cb 0.50 -5.58 -0.03 0.00 -0.02 0.00 0.00 31.44 26.30 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 -2.55 6.94 -0.44 1.62 0.15 -1.25 -4.77 113.70 113.40 1xqq s SER 65 Ca 0.25 2.08 -0.18 0.00 0.70 0.00 0.00 55.95 58.80 1xqq s SER 65 Cb -0.12 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1xqq s SER 65 CO 0.31 -0.61 0.50 -0.89 1.20 0.00 0.00 173.24 173.75 1xqq s THR 66 N 1.75 5.02 0.59 6.45 2.01 -1.26 -0.31 115.64 129.88 1xqq s THR 66 Ca 0.61 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1xqq s THR 66 Cb -0.31 -4.11 0.08 0.00 0.01 0.00 0.00 72.50 68.17 1xqq s THR 66 CO 0.27 -0.52 0.81 -0.76 -0.69 0.00 0.00 174.62 173.73 1xqq s LEU 67 N 2.31 3.20 -0.03 4.42 1.43 0.67 -4.89 118.68 125.78 1xqq s LEU 67 Ca 0.14 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 67 Cb -0.17 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1xqq s LEU 67 CO 0.14 -1.36 -0.14 -1.00 0.23 0.00 0.00 176.35 174.22 1xqq s HIS 68 N -2.77 1.38 -0.10 0.29 3.76 -0.63 -0.86 115.29 116.37 1xqq s HIS 68 Ca 0.61 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 55.20 1xqq s HIS 68 Cb -0.07 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.68 1xqq s HIS 68 CO 0.39 -0.12 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.76 1xqq s LEU 69 N 0.04 2.06 0.21 0.89 2.96 -0.50 -0.55 118.68 123.79 1xqq s LEU 69 Ca -0.02 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1xqq s LEU 69 Cb -0.10 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 1xqq s LEU 69 CO 0.01 0.15 -0.05 0.68 -1.32 0.00 0.00 176.35 175.82 1xqq s VAL 70 N 0.38 1.17 0.16 1.68 -7.23 -0.86 -3.56 120.40 112.15 1xqq s VAL 70 Ca -0.18 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 57.96 1xqq s VAL 70 Cb -0.18 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1xqq s VAL 70 CO 0.08 -0.47 0.22 -0.76 -0.31 0.00 0.00 175.10 173.87 1xqq s LEU 71 N -3.28 4.11 0.16 1.32 1.43 -1.26 -1.80 118.68 119.37 1xqq s LEU 71 Ca 0.24 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1xqq s LEU 71 Cb 0.04 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1xqq s LEU 71 CO 0.06 0.05 0.34 -0.60 0.23 0.00 0.00 176.35 176.43 1xqq s ARG 72 N -3.22 1.18 0.00 1.70 3.52 -0.55 -4.92 118.95 116.67 1xqq s ARG 72 Ca 0.33 -1.06 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1xqq s ARG 72 Cb -0.10 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1xqq s ARG 72 CO 0.26 -0.45 0.00 1.28 -0.81 0.00 0.00 175.30 175.59 1xqq n LEU 73 N -0.23 0.00 -0.05 -0.88 4.77 -1.26 -4.07 117.00 115.27 1xqq n LEU 73 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.70 1xqq n LEU 73 Cb 0.63 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.59 1xqq n LEU 73 CO 0.22 -0.21 -1.02 0.54 -1.33 0.00 0.00 177.39 175.59 1xqq n ARG 74 N -0.41 0.71 -3.22 3.23 1.74 -1.26 -4.59 116.66 112.85 1xqq n ARG 74 Ca 0.00 0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1xqq n ARG 74 Cb 0.00 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.77 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 2.08 5.02 0.00 -0.13 0.00 -1.26 -5.14 105.19 105.76 1xqq n GLY 75 Ca -0.37 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 42.92 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93