#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 2.47 0.11 3.17 -0.21 -1.26 -0.54 119.66 123.40 1xqq s GLN 2 Ca 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.55 1xqq s GLN 2 Cb 0.00 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 1xqq s GLN 2 CO 0.00 0.54 -0.10 0.96 -2.12 0.00 0.00 175.29 174.57 1xqq s ILE 3 N -1.27 0.96 -0.14 1.08 -4.36 -0.61 -1.13 121.20 115.74 1xqq s ILE 3 Ca 0.24 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1xqq s ILE 3 Cb -0.12 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 1xqq s ILE 3 CO 0.17 -0.66 -0.04 -0.36 0.24 0.00 0.00 174.94 174.29 1xqq s PHE 4 N -2.86 3.01 -0.03 1.37 0.08 0.98 -0.85 117.98 119.69 1xqq s PHE 4 Ca 0.09 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1xqq s PHE 4 Cb -0.00 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1xqq s PHE 4 CO -0.01 0.03 -0.03 0.08 -0.10 0.00 0.00 175.22 175.19 1xqq s VAL 5 N 0.15 0.40 0.02 -0.44 1.01 0.29 -0.57 120.40 121.25 1xqq s VAL 5 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1xqq s VAL 5 Cb -0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1xqq s VAL 5 CO 0.03 0.18 0.11 -0.54 0.00 0.00 0.00 175.10 174.88 1xqq s LYS 6 N 0.73 3.13 0.73 2.72 1.02 0.09 -0.33 119.74 127.82 1xqq s LYS 6 Ca -0.09 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1xqq s LYS 6 Cb -0.12 -2.89 0.16 0.00 -0.52 0.00 0.00 37.83 34.46 1xqq s LYS 6 CO -0.00 0.63 0.99 0.25 -0.92 0.00 0.00 175.35 176.30 1xqq n THR 7 N 0.87 0.00 -0.07 2.17 -2.24 -0.51 -0.86 114.28 113.64 1xqq n THR 7 Ca -0.11 -1.04 -0.09 0.00 -2.27 0.00 0.00 64.05 60.54 1xqq n THR 7 Cb 0.52 -1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 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 0.30 0.00 3.22 5.85 -1.90 -3.43 115.31 119.34 1xqq h LEU 8 Ca -0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xqq h LEU 8 Cb 1.01 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1xqq h LEU 8 CO 0.27 0.22 0.00 0.35 -0.34 0.00 0.00 178.44 178.94 1xqq n THR 9 N -4.91 0.00 -2.80 1.05 -2.24 -1.26 -4.97 114.28 99.15 1xqq n THR 9 Ca -0.02 0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1xqq n THR 9 Cb 0.03 -0.71 0.06 0.00 -2.10 0.00 0.00 70.33 67.60 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 2.45 0.80 2.80 3.38 0.00 -1.26 -5.11 105.19 108.26 1xqq n GLY 10 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.09 -0.01 -0.33 1.61 2.20 -1.26 -5.03 119.74 117.01 1xqq s LYS 11 Ca 0.27 0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 56.08 1xqq s LYS 11 Cb 0.27 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1xqq s LYS 11 CO -0.12 -0.18 0.08 0.99 -0.36 0.00 0.00 175.35 175.77 1xqq s THR 12 N 1.16 3.59 -0.05 3.43 2.01 -1.26 -1.43 115.64 123.09 1xqq s THR 12 Ca -0.08 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 1xqq s THR 12 Cb -0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1xqq s THR 12 CO -0.04 -0.17 0.20 0.27 -0.69 0.00 0.00 174.62 174.20 1xqq s ILE 13 N 1.37 5.40 -0.27 1.82 -4.36 0.55 -4.90 121.20 120.80 1xqq s ILE 13 Ca -0.02 0.15 -0.01 0.00 -0.26 0.00 0.00 60.65 60.50 1xqq s ILE 13 Cb -0.20 -3.50 0.04 0.00 1.25 0.00 0.00 42.46 40.05 1xqq s ILE 13 CO 0.02 0.47 -0.04 -0.89 0.24 0.00 0.00 174.94 174.75 1xqq s THR 14 N -1.18 2.88 0.16 8.37 2.01 -1.26 -0.55 115.64 126.07 1xqq s THR 14 Ca 0.22 -1.23 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1xqq s THR 14 Cb -0.13 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1xqq s THR 14 CO 0.12 0.04 0.19 -0.76 -0.69 0.00 0.00 174.62 173.52 1xqq s LEU 15 N 1.28 4.00 -0.25 4.42 1.43 -0.03 -4.95 118.68 124.58 1xqq s LEU 15 Ca -0.03 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 15 Cb -0.18 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1xqq s LEU 15 CO -0.03 0.06 0.13 -1.61 0.23 0.00 0.00 176.35 175.13 1xqq s GLU 16 N -3.18 3.86 0.18 1.70 2.02 -1.26 -1.57 118.70 120.46 1xqq s GLU 16 Ca 0.32 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1xqq s GLU 16 Cb -0.10 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1xqq s GLU 16 CO 0.25 -0.11 0.01 0.14 0.02 0.00 0.00 175.26 175.58 1xqq s VAL 17 N 1.48 0.68 0.18 2.63 -7.23 0.29 -4.97 120.40 113.45 1xqq s VAL 17 Ca 0.06 -1.98 0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1xqq s VAL 17 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1xqq s VAL 17 CO 0.07 -0.43 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.58 1xqq s GLU 18 N -3.92 1.45 0.22 4.82 2.02 -1.26 0.10 118.70 122.13 1xqq s GLU 18 Ca 0.25 -1.47 0.21 0.00 0.02 0.00 0.00 54.97 53.98 1xqq s GLU 18 Cb 0.06 -1.78 0.91 0.00 0.10 0.00 0.00 34.13 33.43 1xqq s GLU 18 CO 0.05 0.39 1.63 -0.35 0.02 0.00 0.00 175.26 177.00 1xqq n PRO 19 N 0.42 0.15 0.00 0.39 -0.04 -1.26 -0.88 135.00 133.77 1xqq n PRO 19 Ca -0.14 0.44 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 1xqq n PRO 19 Cb 0.55 -1.82 0.86 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.10 0.00 -4.73 3.54 7.64 -1.26 -3.27 113.62 113.44 1xqq n SER 20 Ca 0.02 -0.64 -0.41 0.00 1.01 0.00 0.00 58.87 58.84 1xqq n SER 20 Cb 0.17 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.23 7.13 0.54 6.43 1.01 -0.06 -4.95 116.67 124.54 1xqq s ASP 21 Ca 0.40 2.09 -0.16 0.00 0.71 0.00 0.00 52.55 55.58 1xqq s ASP 21 Cb 0.21 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 1xqq s ASP 21 CO 0.40 -0.37 1.01 0.42 0.21 0.00 0.00 175.17 176.84 1xqq s THR 22 N 0.41 4.28 0.31 -1.27 -4.23 -1.26 -2.52 115.64 111.36 1xqq s THR 22 Ca 0.54 1.11 0.16 0.00 -1.18 0.00 0.00 61.69 62.32 1xqq s THR 22 Cb -0.30 -3.61 0.12 0.00 1.34 0.00 0.00 72.50 70.05 1xqq s THR 22 CO 0.33 -0.62 1.81 0.40 -0.54 0.00 0.00 174.62 176.00 1xqq h ILE 23 N 0.79 1.08 -0.83 2.99 1.08 -1.03 0.11 117.51 121.71 1xqq h ILE 23 Ca -0.47 -1.35 0.16 0.00 -0.39 0.00 0.00 64.86 62.81 1xqq h ILE 23 Cb 1.20 1.77 -0.10 0.00 -3.07 0.00 0.00 36.82 36.61 1xqq h ILE 23 CO 0.60 0.36 0.39 -0.08 -0.69 0.00 0.00 178.15 178.73 1xqq h GLU 24 N 0.00 0.51 -0.13 2.37 4.81 -1.61 0.29 114.58 120.82 1xqq h GLU 24 Ca -0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 0.74 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1xqq h GLU 24 CO 0.05 0.34 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.25 1xqq h ASN 25 N 0.52 0.36 -0.77 1.04 2.35 -1.11 -2.19 115.58 115.78 1xqq h ASN 25 Ca 0.47 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1xqq h ASN 25 Cb 0.73 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1xqq h ASN 25 CO -0.41 0.81 0.31 0.58 -1.65 0.00 0.00 177.43 177.06 1xqq h VAL 26 N 0.27 1.26 -0.21 2.81 2.07 -0.25 0.66 116.25 122.85 1xqq h VAL 26 Ca 0.01 -0.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1xqq h VAL 26 Cb 0.98 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1xqq h VAL 26 CO 0.08 0.33 -0.42 0.11 0.02 0.00 0.00 177.57 177.69 1xqq h LYS 27 N 1.12 0.50 -0.24 1.57 1.57 -0.37 -2.27 116.57 118.46 1xqq h LYS 27 Ca 0.26 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 27 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1xqq h LYS 27 CO -0.02 0.84 -0.16 0.00 -0.57 0.00 0.00 179.45 179.53 1xqq h ALA 28 N 1.13 1.29 -0.32 3.86 0.00 -1.04 -0.90 119.26 123.28 1xqq h ALA 28 Ca 0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1xqq h ALA 28 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xqq h ALA 28 CO 0.08 0.47 -0.48 0.87 0.00 0.00 0.00 179.25 180.19 1xqq h LYS 29 N 0.37 0.87 -0.54 0.00 1.57 -0.33 -0.05 116.57 118.47 1xqq h LYS 29 Ca 0.07 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1xqq h LYS 29 Cb 0.50 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1xqq h LYS 29 CO 0.03 1.15 -0.00 0.82 -0.57 0.00 0.00 179.45 180.88 1xqq h ILE 30 N 0.69 1.25 -0.50 1.86 2.04 -1.36 -1.70 117.51 119.80 1xqq h ILE 30 Ca 0.03 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.91 1xqq h ILE 30 Cb 1.08 0.85 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 1xqq h ILE 30 CO 0.11 0.39 -0.03 -0.61 0.00 0.00 0.00 178.15 178.00 1xqq h GLN 31 N 0.84 0.08 -0.37 2.37 4.15 -0.75 -1.60 115.11 119.84 1xqq h GLN 31 Ca 0.16 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1xqq h GLN 31 Cb 0.50 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1xqq h GLN 31 CO 0.02 0.05 -0.21 0.22 -1.93 0.00 0.00 178.83 176.98 1xqq h ASP 32 N 0.08 0.82 0.43 -0.69 1.82 -0.78 -2.20 116.42 115.90 1xqq h ASP 32 Ca 0.25 -0.42 -0.02 0.00 -0.39 0.00 0.00 57.03 56.45 1xqq h ASP 32 Cb 0.38 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1xqq h ASP 32 CO -0.44 1.06 -0.21 0.50 -1.61 0.00 0.00 179.24 178.54 1xqq h LYS 33 N 0.58 -0.56 0.00 0.28 3.64 -1.27 -3.40 116.57 115.84 1xqq h LYS 33 Ca 0.08 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xqq h LYS 33 Cb 0.77 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1xqq h LYS 33 CO 0.06 -0.25 -1.80 0.39 -2.27 0.00 0.00 179.45 175.58 1xqq n GLU 34 N -5.19 0.57 -1.87 1.90 -0.58 -0.61 -5.02 120.64 109.83 1xqq n GLU 34 Ca -0.09 -0.16 -0.03 0.00 -0.42 0.00 0.00 57.16 56.46 1xqq n GLU 34 Cb 0.29 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.47 0.52 3.11 0.62 0.00 -0.83 -5.05 105.19 105.03 1xqq n GLY 35 Ca -0.03 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1xqq n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xqq s ILE 36 N -3.06 1.26 0.58 -0.61 2.07 -1.26 -5.06 121.20 115.12 1xqq s ILE 36 Ca 0.06 -0.64 -0.08 0.00 -1.41 0.00 0.00 60.65 58.59 1xqq s ILE 36 Cb -0.01 -1.08 -0.02 0.00 0.13 0.00 0.00 42.46 41.48 1xqq s ILE 36 CO 0.12 0.37 0.94 -2.16 -1.91 0.00 0.00 174.94 172.30 1xqq s PRO 37 N -0.02 3.36 0.37 3.50 0.04 -1.26 -4.12 135.00 136.87 1xqq s PRO 37 Ca -0.01 0.40 0.24 0.00 0.04 0.00 0.00 61.00 61.67 1xqq s PRO 37 Cb -0.10 -2.20 0.49 0.00 0.04 0.00 0.00 34.50 32.73 1xqq s PRO 37 CO 0.01 -0.54 1.66 -1.00 0.04 0.00 0.00 177.00 177.17 1xqq h PRO 38 N -0.17 0.00 -0.46 0.56 0.13 -1.96 -3.12 132.00 126.99 1xqq h PRO 38 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1xqq h PRO 38 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.62 0.00 -0.02 0.22 -0.23 0.00 0.00 178.00 178.59 1xqq h ASP 39 N 0.00 0.81 0.24 1.44 3.58 -1.99 -2.92 116.42 117.58 1xqq h ASP 39 Ca 0.00 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.08 1xqq h ASP 39 Cb 0.92 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1xqq h ASP 39 CO 0.00 0.93 -0.26 -0.61 -2.88 0.00 0.00 179.24 176.42 1xqq h GLN 40 N 0.67 0.04 -5.96 0.28 4.15 -1.93 -3.45 115.11 108.91 1xqq h GLN 40 Ca 0.13 -0.01 -0.58 0.00 0.77 0.00 0.00 58.65 58.95 1xqq h GLN 40 Cb 0.53 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.14 1xqq h GLN 40 CO 0.03 0.29 0.55 -0.65 -1.93 0.00 0.00 178.83 177.12 1xqq s GLN 41 N -4.46 4.26 -0.35 1.69 -0.21 -1.11 -4.63 119.66 114.86 1xqq s GLN 41 Ca -0.04 1.12 0.02 0.00 0.02 0.00 0.00 55.36 56.48 1xqq s GLN 41 Cb 0.15 -3.61 0.09 0.00 1.00 0.00 0.00 33.01 30.64 1xqq s GLN 41 CO 0.71 -0.48 0.07 0.50 -2.12 0.00 0.00 175.29 173.98 1xqq s ARG 42 N 2.67 1.79 -0.40 2.91 3.52 -1.26 -5.03 118.95 123.15 1xqq s ARG 42 Ca 0.40 -1.75 -0.29 0.00 -0.13 0.00 0.00 55.73 53.96 1xqq s ARG 42 Cb -0.16 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1xqq s ARG 42 CO 0.09 -0.91 1.10 -0.51 -0.81 0.00 0.00 175.30 174.27 1xqq s LEU 43 N 1.02 3.79 -0.17 -0.88 1.43 -1.26 -2.02 118.68 120.59 1xqq s LEU 43 Ca 0.07 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 53.77 1xqq s LEU 43 Cb -0.20 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1xqq s LEU 43 CO -0.06 -1.06 0.40 -0.63 0.23 0.00 0.00 176.35 175.23 1xqq s ILE 44 N 4.03 5.22 -0.32 -0.59 -1.09 0.41 -3.30 121.20 125.55 1xqq s ILE 44 Ca 0.46 0.75 -0.09 0.00 -2.23 0.00 0.00 60.65 59.55 1xqq s ILE 44 Cb -0.10 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1xqq s ILE 44 CO 0.23 0.31 0.14 0.12 -1.23 0.00 0.00 174.94 174.51 1xqq s PHE 45 N 0.90 3.18 0.00 3.97 5.36 -0.86 -0.48 117.98 130.06 1xqq s PHE 45 Ca 0.21 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 1xqq s PHE 45 Cb -0.14 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1xqq s PHE 45 CO 0.08 -0.53 0.00 0.00 -1.46 0.00 0.00 175.22 173.31 1xqq n ALA 46 N 4.95 0.00 -1.15 11.12 0.00 -1.26 -0.68 120.51 133.49 1xqq n ALA 46 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1xqq n ALA 46 Cb 0.48 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.06 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 4.61 3.43 0.00 0.00 -1.26 -5.05 105.19 106.92 1xqq n GLY 47 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.70 2.50 -0.03 1.61 2.20 0.14 -5.10 119.74 118.36 1xqq s LYS 48 Ca 0.30 -0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 1xqq s LYS 48 Cb 0.27 -2.32 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1xqq s LYS 48 CO 0.02 0.57 0.58 -1.14 -0.36 0.00 0.00 175.35 175.02 1xqq s GLN 49 N -0.60 4.32 -0.11 4.03 0.74 -1.26 -2.03 119.66 124.76 1xqq s GLN 49 Ca 0.09 0.69 0.00 0.00 0.05 0.00 0.00 55.36 56.19 1xqq s GLN 49 Cb -0.11 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 1xqq s GLN 49 CO 0.01 0.29 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.43 1xqq s LEU 50 N 0.08 2.90 0.43 3.68 1.43 -1.21 -4.99 118.68 120.99 1xqq s LEU 50 Ca 0.31 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1xqq s LEU 50 Cb -0.17 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1xqq s LEU 50 CO 0.16 0.23 0.27 -0.70 0.23 0.00 0.00 176.35 176.54 1xqq s GLU 51 N -0.05 2.34 0.01 1.70 2.12 -1.26 -4.72 118.70 118.83 1xqq s GLU 51 Ca -0.01 -1.76 -0.19 0.00 0.36 0.00 0.00 54.97 53.37 1xqq s GLU 51 Cb -0.14 -2.13 -0.25 0.00 0.26 0.00 0.00 34.13 31.87 1xqq s GLU 51 CO 0.03 -0.19 1.08 -0.44 -0.54 0.00 0.00 175.26 175.20 1xqq h ASP 52 N 1.22 0.62 0.14 -1.70 5.19 -1.99 -3.20 116.42 116.69 1xqq h ASP 52 Ca -0.42 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.20 1xqq h ASP 52 Cb 1.26 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1xqq h ASP 52 CO 0.64 1.34 0.00 0.61 -3.12 0.00 0.00 179.24 178.71 1xqq n GLY 53 N 1.20 -0.71 3.61 2.75 0.00 -1.26 -1.84 105.19 108.94 1xqq n GLY 53 Ca -0.11 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.23 1.94 0.15 1.61 1.81 -1.21 -4.96 118.95 116.05 1xqq s ARG 54 Ca 0.24 -2.11 0.02 0.00 -1.72 0.00 0.00 55.73 52.16 1xqq s ARG 54 Cb 0.13 -1.53 0.02 0.00 -0.45 0.00 0.00 34.95 33.12 1xqq s ARG 54 CO 0.24 -0.09 0.19 0.25 -0.68 0.00 0.00 175.30 175.21 1xqq n THR 55 N -0.95 0.00 0.12 0.02 -2.24 -1.26 -0.87 114.28 109.09 1xqq n THR 55 Ca -0.06 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 1xqq n THR 55 Cb 0.67 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.97 1xqq n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 56 N 0.00 0.65 -1.71 3.22 3.38 -1.54 -3.29 115.31 116.02 1xqq h LEU 56 Ca -0.07 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 1xqq h LEU 56 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xqq h LEU 56 CO 0.11 1.51 0.02 0.77 0.09 0.00 0.00 178.44 180.94 1xqq h SER 57 N 0.14 0.18 -0.68 -0.43 4.64 -1.76 0.31 113.55 115.95 1xqq h SER 57 Ca -0.18 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1xqq h SER 57 Cb 2.00 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 64.02 1xqq h SER 57 CO 0.23 0.20 0.22 0.44 -0.87 0.00 0.00 176.83 177.06 1xqq h ASP 58 N 0.21 1.00 -0.01 4.97 3.32 -1.88 -2.39 116.42 121.64 1xqq h ASP 58 Ca 0.05 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1xqq h ASP 58 Cb 0.10 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1xqq h ASP 58 CO -0.00 0.93 -0.01 -1.22 -1.72 0.00 0.00 179.24 177.22 1xqq n TYR 59 N -4.26 0.00 -2.56 4.55 4.01 -1.13 -4.96 117.16 112.81 1xqq n TYR 59 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1xqq n TYR 59 Cb 0.22 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.41 -3.19 -4.55 7.72 4.13 -0.67 -5.01 115.26 114.10 1xqq n ASN 60 Ca 0.18 -0.11 -0.41 0.00 1.68 0.00 0.00 54.58 55.91 1xqq n ASN 60 Cb 0.41 -2.08 -0.08 0.00 -1.54 0.00 0.00 39.78 36.49 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 -2.78 5.08 0.52 2.41 1.01 0.99 -4.98 121.20 123.45 1xqq s ILE 61 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1xqq s ILE 61 Cb -0.05 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1xqq s ILE 61 CO 0.14 -0.19 0.26 0.00 0.00 0.00 0.00 174.94 175.15 1xqq n GLN 62 N 5.59 0.73 -1.47 2.79 6.02 -1.26 -4.44 117.38 125.35 1xqq n GLN 62 Ca -0.07 -3.45 -0.40 0.00 -0.01 0.00 0.00 57.00 53.07 1xqq n GLN 62 Cb 0.49 0.58 0.02 0.00 1.02 0.00 0.00 30.24 32.34 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -1.57 0.61 -2.36 -1.09 2.85 -1.26 -2.92 118.16 112.42 1xqq n LYS 63 Ca -0.09 0.23 -0.17 0.00 -1.05 0.00 0.00 58.31 57.23 1xqq n LYS 63 Cb 0.62 -1.61 -0.01 0.00 -0.65 0.00 0.00 35.03 33.38 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 0.37 -1.91 -2.88 -1.58 1.02 -0.28 -4.98 120.64 110.39 1xqq n GLU 64 Ca 0.11 0.82 -0.40 0.00 -0.02 0.00 0.00 57.16 57.68 1xqq n GLU 64 Cb 0.42 -5.43 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 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 -2.06 7.50 -0.19 1.62 0.01 -1.15 -4.75 113.70 114.68 1xqq s SER 65 Ca 0.00 1.77 -0.26 0.00 1.31 0.00 0.00 55.95 58.77 1xqq s SER 65 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1xqq s SER 65 CO 0.00 0.19 0.88 -0.89 0.41 0.00 0.00 173.24 173.83 1xqq s THR 66 N -1.16 4.83 0.23 1.44 2.01 -1.26 -0.02 115.64 121.72 1xqq s THR 66 Ca 0.38 1.71 0.10 0.00 0.31 0.00 0.00 61.69 64.19 1xqq s THR 66 Cb -0.24 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1xqq s THR 66 CO 0.29 -0.03 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.31 1xqq s LEU 67 N 2.45 2.85 -0.08 4.42 1.02 0.26 -4.74 118.68 124.87 1xqq s LEU 67 Ca 0.39 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.81 1xqq s LEU 67 Cb -0.16 -1.46 0.02 0.00 0.02 0.00 0.00 46.19 44.61 1xqq s LEU 67 CO 0.11 0.07 -0.10 -1.00 0.02 0.00 0.00 176.35 175.44 1xqq s HIS 68 N -2.04 1.40 -0.18 0.29 3.76 0.37 -0.73 115.29 118.15 1xqq s HIS 68 Ca 0.27 -0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 54.32 1xqq s HIS 68 Cb -0.07 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 1xqq s HIS 68 CO 0.15 -0.34 1.18 -0.51 -0.85 0.00 0.00 174.74 174.37 1xqq s LEU 69 N 0.99 4.16 0.00 0.89 1.43 -0.04 -0.44 118.68 125.66 1xqq s LEU 69 Ca -0.09 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.64 1xqq s LEU 69 Cb -0.15 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.57 1xqq s LEU 69 CO -0.00 -0.71 0.34 1.33 0.23 0.00 0.00 176.35 177.53 1xqq n VAL 70 N 5.30 0.00 -2.96 -1.59 0.24 -0.86 -3.77 118.33 114.69 1xqq n VAL 70 Ca 0.13 -2.01 -0.41 0.00 -2.04 0.00 0.00 64.34 60.01 1xqq n VAL 70 Cb 0.45 -0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.07 -0.36 1.34 2.96 -1.26 -4.40 118.68 121.04 1xqq s LEU 71 Ca 0.26 0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 54.94 1xqq s LEU 71 Cb -0.02 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.58 1xqq s LEU 71 CO 0.16 -0.48 0.31 -0.60 -1.32 0.00 0.00 176.35 174.42 1xqq s ARG 72 N 2.76 3.42 0.00 1.98 3.52 -1.26 -5.06 118.95 124.31 1xqq s ARG 72 Ca 0.32 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 55.14 1xqq s ARG 72 Cb -0.15 -3.84 -0.06 0.00 -1.56 0.00 0.00 34.95 29.34 1xqq s ARG 72 CO 0.08 -0.54 0.44 -1.17 -0.81 0.00 0.00 175.30 173.30 1xqq s LEU 73 N 1.85 4.47 0.04 -0.88 2.96 -1.26 -5.09 118.68 120.77 1xqq s LEU 73 Ca 0.08 1.01 -0.28 0.00 -0.22 0.00 0.00 54.13 54.72 1xqq s LEU 73 Cb -0.17 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 1xqq s LEU 73 CO 0.11 0.29 0.90 -0.13 -1.32 0.00 0.00 176.35 176.20 1xqq s ARG 74 N -0.95 4.59 0.00 1.98 1.81 -1.26 -4.45 118.95 120.66 1xqq s ARG 74 Ca 0.25 1.30 0.00 0.00 -1.72 0.00 0.00 55.73 55.56 1xqq s ARG 74 Cb -0.17 -3.41 0.00 0.00 -0.45 0.00 0.00 34.95 30.92 1xqq s ARG 74 CO 0.14 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1xqq n GLY 75 N 2.58 0.62 0.00 -3.53 0.00 -1.26 -5.36 105.19 98.24 1xqq n GLY 75 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93