#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 4.38 -0.06 3.17 -0.21 -1.26 -2.44 119.66 123.23 1xqq s GLN 2 Ca 0.00 1.68 -0.01 0.00 0.02 0.00 0.00 55.36 57.05 1xqq s GLN 2 Cb 0.00 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1xqq s GLN 2 CO 0.00 -0.39 -0.01 0.96 -2.12 0.00 0.00 175.29 173.73 1xqq s ILE 3 N 1.93 4.17 -0.03 1.08 -4.36 -1.24 -0.72 121.20 122.03 1xqq s ILE 3 Ca 0.56 -0.38 -0.03 0.00 -0.26 0.00 0.00 60.65 60.54 1xqq s ILE 3 Cb -0.25 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 1xqq s ILE 3 CO 0.24 0.54 0.15 -0.36 0.24 0.00 0.00 174.94 175.75 1xqq s PHE 4 N -0.93 3.50 -0.22 1.37 0.08 -0.46 -1.08 117.98 120.25 1xqq s PHE 4 Ca 0.15 0.36 -0.06 0.00 0.12 0.00 0.00 56.93 57.50 1xqq s PHE 4 Cb -0.11 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1xqq s PHE 4 CO 0.04 0.64 0.04 0.08 -0.10 0.00 0.00 175.22 175.93 1xqq s VAL 5 N -1.22 4.27 -0.34 -0.44 1.01 -0.08 -0.74 120.40 122.86 1xqq s VAL 5 Ca 0.23 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1xqq s VAL 5 Cb -0.12 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1xqq s VAL 5 CO 0.14 0.40 0.21 -0.75 0.00 0.00 0.00 175.10 175.10 1xqq s LYS 6 N 1.11 3.25 0.63 2.72 2.20 -0.43 -1.92 119.74 127.30 1xqq s LYS 6 Ca 0.03 -0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 54.75 1xqq s LYS 6 Cb -0.14 -3.72 0.16 0.00 -1.51 0.00 0.00 37.83 32.61 1xqq s LYS 6 CO 0.03 -0.51 0.43 0.25 -0.36 0.00 0.00 175.35 175.18 1xqq n THR 7 N 5.05 0.00 -0.05 3.43 -2.24 -0.91 -1.75 114.28 117.81 1xqq n THR 7 Ca -0.13 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1xqq n THR 7 Cb 0.48 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 0.00 0.23 3.22 3.38 -1.88 -3.44 115.31 116.82 1xqq h LEU 8 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xqq h LEU 8 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xqq h LEU 8 CO 0.11 0.52 -0.11 0.71 0.09 0.00 0.00 178.44 179.77 1xqq h THR 9 N -0.97 0.00 0.00 0.22 1.35 -1.98 -3.46 112.91 108.07 1xqq h THR 9 Ca 0.00 -0.33 -0.08 0.00 -0.55 0.00 0.00 66.41 65.45 1xqq h THR 9 Cb 0.07 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.40 1xqq h THR 9 CO 0.00 0.00 0.21 0.61 -0.25 0.00 0.00 175.52 176.09 1xqq n GLY 10 N 0.56 -1.36 2.95 5.82 0.00 -1.26 -5.12 105.19 106.78 1xqq n GLY 10 Ca -0.04 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 0.01 0.50 -0.20 1.61 2.20 -1.26 -5.07 119.74 117.53 1xqq s LYS 11 Ca 0.10 -0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.48 1xqq s LYS 11 Cb 0.15 -0.50 0.07 0.00 -1.51 0.00 0.00 37.83 36.04 1xqq s LYS 11 CO -0.11 0.09 0.10 0.99 -0.36 0.00 0.00 175.35 176.06 1xqq s THR 12 N 0.02 -0.06 0.28 3.43 2.01 -1.26 -2.13 115.64 117.93 1xqq s THR 12 Ca 0.00 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 12 Cb -0.04 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1xqq s THR 12 CO -0.00 -0.39 0.04 0.27 -0.69 0.00 0.00 174.62 173.85 1xqq s ILE 13 N 2.12 3.42 -0.14 1.82 -4.36 -0.81 -4.94 121.20 118.32 1xqq s ILE 13 Ca 0.04 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1xqq s ILE 13 Cb -0.16 -2.91 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 1xqq s ILE 13 CO -0.16 -0.33 -0.18 -0.89 0.24 0.00 0.00 174.94 173.62 1xqq s THR 14 N -2.34 2.49 0.31 8.37 2.01 -1.26 -0.90 115.64 124.32 1xqq s THR 14 Ca 0.33 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1xqq s THR 14 Cb -0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1xqq s THR 14 CO 0.21 0.53 0.12 -0.76 -0.69 0.00 0.00 174.62 174.02 1xqq s LEU 15 N 0.67 3.32 -0.29 4.42 1.43 -0.24 -4.99 118.68 123.01 1xqq s LEU 15 Ca -0.09 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1xqq s LEU 15 Cb -0.16 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1xqq s LEU 15 CO 0.02 -0.19 -0.04 -0.70 0.23 0.00 0.00 176.35 175.67 1xqq s GLU 16 N -3.81 2.38 0.16 1.70 2.56 -1.26 -3.68 118.70 116.75 1xqq s GLU 16 Ca 0.36 -1.28 0.09 0.00 0.00 0.00 0.00 54.97 54.13 1xqq s GLU 16 Cb -0.04 -3.08 -0.04 0.00 2.00 0.00 0.00 34.13 32.96 1xqq s GLU 16 CO 0.22 -0.60 -0.19 0.14 -0.56 0.00 0.00 175.26 174.27 1xqq s VAL 17 N 1.21 1.86 0.16 3.70 -7.23 -1.02 -4.90 120.40 114.18 1xqq s VAL 17 Ca -0.06 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1xqq s VAL 17 Cb -0.20 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1xqq s VAL 17 CO -0.02 -0.24 0.35 -1.61 -0.31 0.00 0.00 175.10 173.27 1xqq s GLU 18 N -2.61 3.52 0.64 4.82 0.41 -1.26 -0.53 118.70 123.68 1xqq s GLU 18 Ca 0.14 -0.33 0.39 0.00 -0.41 0.00 0.00 54.97 54.76 1xqq s GLU 18 Cb -0.07 -2.88 2.21 0.00 -1.78 0.00 0.00 34.13 31.61 1xqq s GLU 18 CO 0.06 0.45 2.33 -1.35 -0.49 0.00 0.00 175.26 176.27 1xqq h PRO 19 N 2.32 0.00 0.00 0.39 0.11 -1.95 0.57 132.00 133.44 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.70 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.92 1xqq n SER 20 N -3.38 0.00 -4.70 -2.05 7.64 -1.26 -1.14 113.62 108.74 1xqq n SER 20 Ca -0.03 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.81 1xqq n SER 20 Cb 0.08 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.90 7.20 0.77 6.43 1.11 0.19 -4.88 116.67 124.59 1xqq s ASP 21 Ca 0.14 1.47 -0.11 0.00 0.18 0.00 0.00 52.55 54.23 1xqq s ASP 21 Cb 0.16 -2.52 0.06 0.00 1.07 0.00 0.00 42.92 41.69 1xqq s ASP 21 CO 0.43 -0.32 1.10 0.42 1.18 0.00 0.00 175.17 177.98 1xqq s THR 22 N 1.49 3.14 0.39 -1.27 -4.23 -1.26 -3.07 115.64 110.82 1xqq s THR 22 Ca 0.46 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.46 1xqq s THR 22 Cb -0.19 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.11 1xqq s THR 22 CO 0.21 -0.46 1.97 0.40 -0.54 0.00 0.00 174.62 176.20 1xqq h ILE 23 N -1.02 0.98 0.28 2.99 1.08 -1.04 -0.62 117.51 120.17 1xqq h ILE 23 Ca -0.44 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1xqq h ILE 23 Cb 1.24 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1xqq h ILE 23 CO 0.51 0.11 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.86 1xqq h GLU 24 N 0.63 -0.37 -0.59 2.37 4.81 -1.31 -2.72 114.58 117.41 1xqq h GLU 24 Ca 0.29 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1xqq h GLU 24 Cb 0.34 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1xqq h GLU 24 CO -0.09 -0.22 0.35 -0.91 -0.73 0.00 0.00 179.01 177.41 1xqq h ASN 25 N -0.42 0.70 -0.73 1.04 2.35 -1.82 -2.39 115.58 114.31 1xqq h ASN 25 Ca -0.04 -0.04 0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1xqq h ASN 25 Cb 0.32 -0.18 -0.13 0.00 0.05 0.00 0.00 38.32 38.39 1xqq h ASN 25 CO 0.06 0.54 -0.02 0.58 -1.65 0.00 0.00 177.43 176.95 1xqq h VAL 26 N 0.80 0.36 0.00 2.81 2.07 -1.06 -2.52 116.25 118.71 1xqq h VAL 26 Ca 0.21 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1xqq h VAL 26 Cb -0.03 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1xqq h VAL 26 CO -0.04 0.02 -0.06 0.11 0.02 0.00 0.00 177.57 177.62 1xqq h LYS 27 N 0.09 0.00 0.00 1.57 1.57 -1.10 -1.00 116.57 117.70 1xqq h LYS 27 Ca 0.39 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.02 1xqq h LYS 27 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1xqq h LYS 27 CO -0.65 0.06 -0.73 0.00 -0.57 0.00 0.00 179.45 177.55 1xqq h ALA 28 N 1.94 0.66 -0.09 3.86 0.00 -1.36 -1.42 119.26 122.85 1xqq h ALA 28 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1xqq h ALA 28 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xqq h ALA 28 CO 0.01 0.92 -0.48 0.87 0.00 0.00 0.00 179.25 180.56 1xqq h LYS 29 N 0.00 0.23 -0.19 0.00 1.57 -1.00 -0.69 116.57 116.49 1xqq h LYS 29 Ca -0.01 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 29 Cb 1.40 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1xqq h LYS 29 CO 0.10 0.66 -0.45 0.82 -0.57 0.00 0.00 179.45 180.01 1xqq h ILE 30 N 0.19 1.31 0.00 1.86 2.04 -1.24 -1.42 117.51 120.25 1xqq h ILE 30 Ca 0.01 -1.64 -0.09 0.00 1.00 0.00 0.00 64.86 64.13 1xqq h ILE 30 Cb 0.92 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1xqq h ILE 30 CO 0.07 0.51 -0.44 -0.61 0.00 0.00 0.00 178.15 177.68 1xqq h GLN 31 N 0.38 0.00 0.27 2.37 4.15 -1.00 0.58 115.11 121.86 1xqq h GLN 31 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1xqq h GLN 31 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1xqq h GLN 31 CO 0.08 0.44 -0.13 0.22 -1.93 0.00 0.00 178.83 177.51 1xqq h ASP 32 N 0.00 -0.31 0.53 -0.69 3.58 -0.93 -1.88 116.42 116.72 1xqq h ASP 32 Ca -0.00 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 1xqq h ASP 32 Cb 0.82 0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.96 1xqq h ASP 32 CO 0.06 0.07 -0.25 0.50 -2.88 0.00 0.00 179.24 176.73 1xqq h LYS 33 N -0.74 -0.69 0.02 0.28 1.63 -1.14 -3.39 116.57 112.55 1xqq h LYS 33 Ca -0.04 0.05 -0.21 0.00 -0.85 0.00 0.00 60.65 59.60 1xqq h LYS 33 Cb 0.50 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1xqq h LYS 33 CO 0.06 -0.46 -1.12 0.93 -3.45 0.00 0.00 179.45 175.41 1xqq h GLU 34 N -0.86 0.05 -0.39 1.90 4.39 -1.08 -3.50 114.58 115.09 1xqq h GLU 34 Ca -0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1xqq h GLU 34 Cb 0.55 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1xqq h GLU 34 CO 0.12 1.04 0.00 0.41 -1.16 0.00 0.00 179.01 179.42 1xqq n GLY 35 N 1.54 0.57 3.35 -3.84 0.00 -0.70 -5.00 105.19 101.11 1xqq n GLY 35 Ca -0.28 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.52 3.06 0.68 -0.61 1.01 -1.26 -5.02 121.20 117.54 1xqq s ILE 36 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1xqq s ILE 36 Cb 0.00 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1xqq s ILE 36 CO 0.00 0.51 1.07 -2.16 0.00 0.00 0.00 174.94 174.36 1xqq s PRO 37 N 0.59 2.84 0.20 2.79 0.04 -1.26 -4.44 135.00 135.76 1xqq s PRO 37 Ca -0.07 1.14 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1xqq s PRO 37 Cb -0.15 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xqq s PRO 37 CO 0.03 -1.18 1.42 -1.00 0.04 0.00 0.00 177.00 176.31 1xqq h PRO 38 N -0.41 0.00 0.00 0.56 0.13 -1.93 -1.92 132.00 128.43 1xqq h PRO 38 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1xqq h PRO 38 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.55 0.79 -0.65 0.38 -0.23 0.00 0.00 178.00 178.84 1xqq h ASP 39 N 0.00 0.00 1.29 1.44 2.03 -2.00 -3.32 116.42 115.86 1xqq h ASP 39 Ca -0.01 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.14 1xqq h ASP 39 Cb 1.48 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.96 1xqq h ASP 39 CO 0.10 0.65 -0.71 -0.61 -1.03 0.00 0.00 179.24 177.64 1xqq h GLN 40 N 0.00 0.00 -6.79 4.15 4.15 -1.69 -3.41 115.11 111.52 1xqq h GLN 40 Ca -0.01 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.90 1xqq h GLN 40 Cb 1.46 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.18 1xqq h GLN 40 CO 0.08 0.69 0.55 -0.65 -1.93 0.00 0.00 178.83 177.58 1xqq s GLN 41 N -2.86 4.51 -0.03 1.69 -0.21 -1.07 -1.29 119.66 120.40 1xqq s GLN 41 Ca 0.03 1.96 -0.02 0.00 0.02 0.00 0.00 55.36 57.34 1xqq s GLN 41 Cb 0.08 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.94 1xqq s GLN 41 CO 0.78 0.00 0.08 0.50 -2.12 0.00 0.00 175.29 174.53 1xqq s ARG 42 N -1.20 0.08 -0.14 2.91 3.52 -0.67 -4.53 118.95 118.93 1xqq s ARG 42 Ca 0.48 0.16 -0.05 0.00 -0.13 0.00 0.00 55.73 56.19 1xqq s ARG 42 Cb -0.35 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 1xqq s ARG 42 CO 0.43 -0.05 0.05 -0.51 -0.81 0.00 0.00 175.30 174.41 1xqq s LEU 43 N 0.32 3.82 -0.07 -0.88 1.43 -1.26 -1.62 118.68 120.42 1xqq s LEU 43 Ca -0.02 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1xqq s LEU 43 Cb -0.04 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1xqq s LEU 43 CO -0.01 0.29 -0.08 -0.63 0.23 0.00 0.00 176.35 176.14 1xqq s ILE 44 N -0.32 3.56 0.00 -0.59 -1.09 0.35 -1.62 121.20 121.49 1xqq s ILE 44 Ca 0.08 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1xqq s ILE 44 Cb -0.12 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1xqq s ILE 44 CO 0.02 0.59 0.05 0.33 -1.23 0.00 0.00 174.94 174.70 1xqq n PHE 45 N 2.38 0.00 -0.02 3.97 7.35 -0.23 -0.97 117.46 129.94 1xqq n PHE 45 Ca -0.18 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.48 1xqq n PHE 45 Cb 0.53 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.35 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 -2.45 1.72 0.00 3.13 0.00 -1.26 -4.29 120.51 117.35 1xqq n ALA 46 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1xqq n ALA 46 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 2.41 0.00 3.68 0.00 0.00 -1.26 -5.01 105.19 105.01 1xqq n GLY 47 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.86 4.30 -0.06 1.61 2.47 -1.26 -4.99 119.74 119.95 1xqq s LYS 48 Ca 0.00 1.73 -0.30 0.00 -1.56 0.00 0.00 55.97 55.84 1xqq s LYS 48 Cb 0.00 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.69 1xqq s LYS 48 CO 0.00 -0.56 1.46 1.14 0.16 0.00 0.00 175.35 177.55 1xqq s GLN 49 N 2.68 4.23 0.15 4.03 -2.07 -1.26 -1.07 119.66 126.36 1xqq s GLN 49 Ca 0.57 1.98 -0.05 0.00 -1.82 0.00 0.00 55.36 56.04 1xqq s GLN 49 Cb -0.25 -3.76 -0.06 0.00 -1.09 0.00 0.00 33.01 27.85 1xqq s GLN 49 CO 0.21 -0.71 0.39 -0.51 -1.32 0.00 0.00 175.29 173.35 1xqq s LEU 50 N 3.25 4.25 0.00 2.60 1.43 -0.64 -4.97 118.68 124.60 1xqq s LEU 50 Ca 0.65 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 1xqq s LEU 50 Cb -0.30 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1xqq s LEU 50 CO 0.25 0.03 -0.26 -0.70 0.23 0.00 0.00 176.35 175.90 1xqq s GLU 51 N -2.74 2.00 0.14 1.70 2.12 -1.26 -4.69 118.70 115.97 1xqq s GLU 51 Ca 0.41 -0.98 -0.23 0.00 0.36 0.00 0.00 54.97 54.53 1xqq s GLU 51 Cb -0.12 -2.01 -0.00 0.00 0.26 0.00 0.00 34.13 32.26 1xqq s GLU 51 CO 0.25 0.54 1.64 -0.44 -0.54 0.00 0.00 175.26 176.71 1xqq h ASP 52 N 5.27 -0.68 -0.63 -1.70 5.19 -1.98 -2.65 116.42 119.24 1xqq h ASP 52 Ca -0.44 0.12 -0.32 0.00 -0.62 0.00 0.00 57.03 55.76 1xqq h ASP 52 Cb 1.13 0.31 -0.19 0.00 0.18 0.00 0.00 39.33 40.76 1xqq h ASP 52 CO 0.46 -0.27 0.41 0.61 -3.12 0.00 0.00 179.24 177.33 1xqq n GLY 53 N -1.35 3.56 3.51 2.75 0.00 -1.26 -0.94 105.19 111.46 1xqq n GLY 53 Ca -0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.13 2.07 0.59 1.61 0.52 -1.00 -4.98 118.95 115.62 1xqq s ARG 54 Ca 0.37 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1xqq s ARG 54 Cb 0.31 -2.23 0.06 0.00 0.52 0.00 0.00 34.95 33.61 1xqq s ARG 54 CO 0.07 0.52 0.82 0.95 0.02 0.00 0.00 175.30 177.69 1xqq s THR 55 N -1.05 2.49 -0.44 0.02 -4.23 -1.26 -1.28 115.64 109.89 1xqq s THR 55 Ca 0.17 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.21 1xqq s THR 55 Cb -0.11 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 71.07 1xqq s THR 55 CO 0.09 0.00 1.32 -0.07 -0.54 0.00 0.00 174.62 175.42 1xqq h LEU 56 N -0.04 0.00 -0.36 4.79 3.38 -1.37 -2.57 115.31 119.14 1xqq h LEU 56 Ca -0.39 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1xqq h LEU 56 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1xqq h LEU 56 CO 0.47 0.03 -0.27 -1.28 0.09 0.00 0.00 178.44 177.47 1xqq h SER 57 N 0.00 0.87 -0.55 -0.43 0.87 -1.38 -0.23 113.55 112.69 1xqq h SER 57 Ca 0.00 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.04 1xqq h SER 57 Cb 0.91 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1xqq h SER 57 CO 0.00 1.13 0.05 -0.78 -0.53 0.00 0.00 176.83 176.69 1xqq h ASP 58 N 0.62 0.92 1.04 6.23 3.58 -1.76 -2.85 116.42 124.20 1xqq h ASP 58 Ca 0.07 -0.28 -0.17 0.00 0.42 0.00 0.00 57.03 57.07 1xqq h ASP 58 Cb 0.85 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 1xqq h ASP 58 CO 0.07 0.98 -0.80 1.88 -2.88 0.00 0.00 179.24 178.49 1xqq h TYR 59 N 0.83 0.00 -3.43 0.28 0.05 -1.54 -3.48 116.97 109.68 1xqq h TYR 59 Ca 0.16 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.87 1xqq h TYR 59 Cb 0.48 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.27 1xqq h TYR 59 CO 0.04 0.80 -0.23 -1.71 -1.05 0.00 0.00 178.16 176.01 1xqq n ASN 60 N -3.40 -2.82 -4.34 3.88 5.15 -0.72 -5.05 115.26 107.96 1xqq n ASN 60 Ca 0.00 -0.19 -0.45 0.00 -0.60 0.00 0.00 54.58 53.34 1xqq n ASN 60 Cb 0.82 -1.79 -0.06 0.00 -0.53 0.00 0.00 39.78 38.23 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.10 5.21 0.00 -1.44 1.01 -0.18 -5.03 121.20 117.67 1xqq s ILE 61 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1xqq s ILE 61 Cb -0.01 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1xqq s ILE 61 CO 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 174.94 174.38 1xqq n GLN 62 N 5.25 3.38 -1.01 2.79 6.02 -1.26 -4.58 117.38 127.98 1xqq n GLN 62 Ca -0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 1xqq n GLN 62 Cb 0.41 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.81 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 3.34 1.51 -0.55 -1.09 -2.85 -1.26 -4.13 119.74 114.70 1xqq s LYS 63 Ca 0.00 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.60 1xqq s LYS 63 Cb 0.00 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 1xqq s LYS 63 CO 0.00 -2.29 0.00 0.39 0.10 0.00 0.00 175.35 173.55 1xqq n GLU 64 N -3.60 -0.69 -3.96 1.78 -0.58 0.10 -4.93 120.64 108.76 1xqq n GLU 64 Ca 0.12 0.56 -0.35 0.00 -0.42 0.00 0.00 57.16 57.08 1xqq n GLU 64 Cb 0.51 -4.33 -0.06 0.00 -0.57 0.00 0.00 31.44 26.99 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1xqq s SER 65 N -2.54 6.18 -0.15 1.62 0.01 -1.12 -4.92 113.70 112.77 1xqq s SER 65 Ca 0.00 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 1xqq s SER 65 Cb 0.00 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 1xqq s SER 65 CO 0.00 0.34 -0.08 -0.89 0.41 0.00 0.00 173.24 173.02 1xqq s THR 66 N -1.14 3.47 0.32 1.44 2.01 -1.26 -1.35 115.64 119.12 1xqq s THR 66 Ca 0.20 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1xqq s THR 66 Cb -0.12 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1xqq s THR 66 CO 0.10 0.50 0.34 -0.76 -0.69 0.00 0.00 174.62 174.12 1xqq s LEU 67 N 0.43 3.81 -0.13 4.42 1.43 0.08 -4.83 118.68 123.88 1xqq s LEU 67 Ca -0.07 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1xqq s LEU 67 Cb -0.15 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1xqq s LEU 67 CO 0.04 -0.32 -0.19 -1.00 0.23 0.00 0.00 176.35 175.11 1xqq s HIS 68 N -2.21 2.41 -0.36 0.29 3.76 -0.14 -1.32 115.29 117.72 1xqq s HIS 68 Ca 0.41 -1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 53.99 1xqq s HIS 68 Cb -0.08 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.96 1xqq s HIS 68 CO 0.28 -0.59 0.17 -1.17 -0.85 0.00 0.00 174.74 172.57 1xqq s LEU 69 N 0.98 4.52 0.47 0.89 2.96 -0.72 -0.50 118.68 127.29 1xqq s LEU 69 Ca -0.05 -0.98 0.05 0.00 -0.22 0.00 0.00 54.13 52.93 1xqq s LEU 69 Cb -0.15 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1xqq s LEU 69 CO -0.04 -0.35 0.19 0.68 -1.32 0.00 0.00 176.35 175.52 1xqq s VAL 70 N 1.51 1.84 0.24 1.68 -7.23 -0.64 -4.42 120.40 113.38 1xqq s VAL 70 Ca 0.01 -1.73 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 1xqq s VAL 70 Cb -0.19 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1xqq s VAL 70 CO 0.05 0.00 0.87 -0.76 -0.31 0.00 0.00 175.10 174.95 1xqq s LEU 71 N -3.99 4.50 -0.60 1.32 1.43 -1.26 -1.67 118.68 118.41 1xqq s LEU 71 Ca 0.30 1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 54.88 1xqq s LEU 71 Cb 0.02 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1xqq s LEU 71 CO 0.17 0.09 1.46 -0.60 0.23 0.00 0.00 176.35 177.70 1xqq s ARG 72 N -1.55 3.17 -0.75 1.70 3.52 -0.41 -4.73 118.95 119.90 1xqq s ARG 72 Ca 0.43 0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 56.23 1xqq s ARG 72 Cb -0.22 -4.18 0.19 0.00 -1.56 0.00 0.00 34.95 29.19 1xqq s ARG 72 CO 0.26 -2.11 0.70 -0.51 -0.81 0.00 0.00 175.30 172.84 1xqq s LEU 73 N 6.49 6.55 0.00 -0.88 1.43 -1.26 -4.86 118.68 126.14 1xqq s LEU 73 Ca 0.52 -2.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.21 1xqq s LEU 73 Cb -0.11 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1xqq s LEU 73 CO 0.22 -0.67 0.00 0.54 0.23 0.00 0.00 176.35 176.67 1xqq n ARG 74 N 4.42 0.00 0.00 1.70 5.12 -1.26 -5.08 116.66 121.56 1xqq n ARG 74 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1xqq n ARG 74 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqq n GLY 75 N 3.32 0.57 0.00 -0.13 0.00 -1.26 -5.34 105.19 102.34 1xqq n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93