#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 3.16 0.17 3.17 -0.21 -1.26 -0.88 119.66 123.81 1xqq s GLN 2 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.01 1xqq s GLN 2 Cb 0.00 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 2 CO 0.00 0.67 -0.10 0.96 -2.12 0.00 0.00 175.29 174.70 1xqq s ILE 3 N -1.18 1.23 -0.21 1.08 -4.36 -1.05 0.54 121.20 117.24 1xqq s ILE 3 Ca 0.22 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1xqq s ILE 3 Cb -0.12 -1.94 0.05 0.00 1.25 0.00 0.00 42.46 41.70 1xqq s ILE 3 CO 0.13 -0.67 -0.08 -0.36 0.24 0.00 0.00 174.94 174.20 1xqq s PHE 4 N -3.29 2.37 -0.21 1.37 0.08 -0.66 -2.24 117.98 115.40 1xqq s PHE 4 Ca 0.19 -1.64 -0.07 0.00 0.12 0.00 0.00 56.93 55.53 1xqq s PHE 4 Cb 0.02 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1xqq s PHE 4 CO 0.02 -0.75 0.06 0.08 -0.10 0.00 0.00 175.22 174.54 1xqq s VAL 5 N 1.41 4.55 -0.12 -0.44 1.01 0.20 -1.82 120.40 125.19 1xqq s VAL 5 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1xqq s VAL 5 Cb -0.17 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1xqq s VAL 5 CO -0.07 0.40 -0.21 -0.54 0.00 0.00 0.00 175.10 174.68 1xqq s LYS 6 N 0.95 2.83 0.99 2.72 1.02 0.69 0.14 119.74 129.07 1xqq s LYS 6 Ca 0.04 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 1xqq s LYS 6 Cb -0.14 -2.24 0.19 0.00 -0.52 0.00 0.00 37.83 35.11 1xqq s LYS 6 CO 0.03 0.05 1.10 0.95 -0.92 0.00 0.00 175.35 176.56 1xqq s THR 7 N 0.66 2.02 -0.84 2.17 -4.23 -0.76 -0.67 115.64 113.99 1xqq s THR 7 Ca -0.12 0.01 0.27 0.00 -1.18 0.00 0.00 61.69 60.67 1xqq s THR 7 Cb -0.16 -2.54 0.23 0.00 1.34 0.00 0.00 72.50 71.36 1xqq s THR 7 CO 0.02 -0.01 1.76 0.18 -0.54 0.00 0.00 174.62 176.04 1xqq n LEU 8 N -4.14 0.48 -0.01 4.79 4.77 -1.25 -3.68 117.00 117.96 1xqq n LEU 8 Ca 0.05 0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 56.33 1xqq n LEU 8 Cb 0.58 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1xqq n LEU 8 CO 0.57 -0.08 -0.79 0.35 -1.33 0.00 0.00 177.39 176.11 1xqq n THR 9 N -1.91 1.71 0.00 -5.08 -2.24 -1.26 -4.98 114.28 100.52 1xqq n THR 9 Ca 0.06 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1xqq n THR 9 Cb 0.39 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 1.90 0.63 3.86 3.38 0.00 -1.24 -5.14 105.19 108.59 1xqq n GLY 10 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 3.60 -0.18 1.61 2.20 -1.26 -4.97 119.74 120.73 1xqq s LYS 11 Ca 0.00 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1xqq s LYS 11 Cb 0.00 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1xqq s LYS 11 CO 0.00 0.71 -0.11 0.99 -0.36 0.00 0.00 175.35 176.57 1xqq s THR 12 N -0.86 2.88 -0.20 3.43 2.01 -1.26 -1.84 115.64 119.81 1xqq s THR 12 Ca 0.16 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 1xqq s THR 12 Cb -0.13 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1xqq s THR 12 CO 0.05 0.48 0.11 -0.63 -0.69 0.00 0.00 174.62 173.94 1xqq s ILE 13 N 1.11 5.15 -0.29 1.82 1.01 0.36 -4.92 121.20 125.44 1xqq s ILE 13 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1xqq s ILE 13 Cb -0.14 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1xqq s ILE 13 CO -0.03 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 174.46 1xqq s THR 14 N 0.53 3.30 0.26 2.92 2.01 -1.26 0.62 115.64 124.01 1xqq s THR 14 Ca 0.06 -1.07 0.10 0.00 0.31 0.00 0.00 61.69 61.10 1xqq s THR 14 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1xqq s THR 14 CO 0.00 0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.09 1xqq s LEU 15 N 1.36 2.89 -0.24 4.42 1.43 -0.95 -5.04 118.68 122.55 1xqq s LEU 15 Ca -0.01 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1xqq s LEU 15 Cb -0.18 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1xqq s LEU 15 CO -0.01 0.04 -0.05 -1.61 0.23 0.00 0.00 176.35 174.95 1xqq s GLU 16 N -3.44 3.10 0.16 1.70 2.02 -1.26 -2.53 118.70 118.45 1xqq s GLU 16 Ca 0.29 -0.81 0.08 0.00 0.02 0.00 0.00 54.97 54.56 1xqq s GLU 16 Cb -0.06 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1xqq s GLU 16 CO 0.17 -0.31 -0.18 0.14 0.02 0.00 0.00 175.26 175.10 1xqq s VAL 17 N 1.41 1.79 0.11 2.63 -7.23 -0.05 -4.84 120.40 114.21 1xqq s VAL 17 Ca 0.03 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1xqq s VAL 17 Cb -0.15 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1xqq s VAL 17 CO -0.04 -0.30 0.39 -1.61 -0.31 0.00 0.00 175.10 173.23 1xqq s GLU 18 N -2.74 3.69 0.00 4.82 0.41 -1.26 0.02 118.70 123.64 1xqq s GLU 18 Ca 0.15 0.06 0.09 0.00 -0.41 0.00 0.00 54.97 54.86 1xqq s GLU 18 Cb -0.06 -2.91 0.41 0.00 -1.78 0.00 0.00 34.13 29.79 1xqq s GLU 18 CO 0.06 0.51 1.25 -0.35 -0.49 0.00 0.00 175.26 176.24 1xqq n PRO 19 N 0.50 0.04 -0.51 0.39 -0.04 -1.26 -0.95 135.00 133.17 1xqq n PRO 19 Ca -0.05 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1xqq n PRO 19 Cb 0.52 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.43 4.43 -4.82 3.54 7.64 -1.26 -2.92 113.62 118.80 1xqq n SER 20 Ca 0.03 -2.24 -0.30 0.00 1.01 0.00 0.00 58.87 57.37 1xqq n SER 20 Cb 0.10 -0.54 0.08 0.00 -1.01 0.00 0.00 64.21 62.83 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 -0.95 4.74 0.32 6.43 1.01 -0.13 -4.90 116.67 123.19 1xqq s ASP 21 Ca 0.51 1.34 0.07 0.00 0.71 0.00 0.00 52.55 55.17 1xqq s ASP 21 Cb 0.30 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 42.11 1xqq s ASP 21 CO 0.29 -1.82 0.33 0.42 0.21 0.00 0.00 175.17 174.61 1xqq s THR 22 N -3.16 3.83 0.30 -1.27 -4.23 -1.26 -2.38 115.64 107.47 1xqq s THR 22 Ca 0.60 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1xqq s THR 22 Cb -0.14 -3.29 0.16 0.00 1.34 0.00 0.00 72.50 70.57 1xqq s THR 22 CO 0.54 -0.19 1.85 0.40 -0.54 0.00 0.00 174.62 176.68 1xqq h ILE 23 N 1.17 1.21 -0.66 2.99 1.08 -1.31 -2.15 117.51 119.85 1xqq h ILE 23 Ca -0.46 -0.77 0.10 0.00 -0.39 0.00 0.00 64.86 63.35 1xqq h ILE 23 Cb 1.25 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 1xqq h ILE 23 CO 0.57 0.28 0.27 -0.08 -0.69 0.00 0.00 178.15 178.50 1xqq h GLU 24 N 0.70 0.44 -0.58 2.37 4.81 -1.28 0.23 114.58 121.27 1xqq h GLU 24 Ca 0.16 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1xqq h GLU 24 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1xqq h GLU 24 CO -0.00 0.29 0.09 -0.91 -0.73 0.00 0.00 179.01 177.76 1xqq h ASN 25 N 0.46 0.92 0.30 1.04 2.35 -1.76 -1.69 115.58 117.19 1xqq h ASN 25 Ca 0.34 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1xqq h ASN 25 Cb 0.43 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1xqq h ASN 25 CO -0.32 0.94 -0.14 0.58 -1.65 0.00 0.00 177.43 176.84 1xqq h VAL 26 N 0.86 0.72 -0.60 2.81 2.07 -0.85 -1.47 116.25 119.78 1xqq h VAL 26 Ca 0.18 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1xqq h VAL 26 Cb 0.42 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1xqq h VAL 26 CO 0.01 0.01 0.40 0.11 0.02 0.00 0.00 177.57 178.12 1xqq h LYS 27 N -0.43 0.67 -0.57 1.57 1.57 -0.57 -1.25 116.57 117.56 1xqq h LYS 27 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb 0.32 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1xqq h LYS 27 CO 0.07 0.44 0.38 0.00 -0.57 0.00 0.00 179.45 179.77 1xqq h ALA 28 N 1.65 0.73 0.00 3.86 0.00 -0.78 -2.68 119.26 122.04 1xqq h ALA 28 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xqq h ALA 28 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xqq h ALA 28 CO -0.07 0.17 -0.47 0.87 0.00 0.00 0.00 179.25 179.75 1xqq h LYS 29 N 0.78 0.00 0.00 0.00 1.57 -0.35 -1.92 116.57 116.65 1xqq h LYS 29 Ca 0.21 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1xqq h LYS 29 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1xqq h LYS 29 CO -0.04 0.47 -0.34 0.82 -0.57 0.00 0.00 179.45 179.79 1xqq h ILE 30 N 0.00 1.22 -0.10 1.86 2.04 -1.07 -2.15 117.51 119.31 1xqq h ILE 30 Ca -0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1xqq h ILE 30 Cb 1.08 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1xqq h ILE 30 CO 0.06 0.33 -0.01 -0.61 0.00 0.00 0.00 178.15 177.92 1xqq h GLN 31 N 0.00 0.18 -0.14 2.37 4.15 -1.03 -1.06 115.11 119.58 1xqq h GLN 31 Ca -0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1xqq h GLN 31 Cb 0.61 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1xqq h GLN 31 CO 0.04 0.47 0.07 0.22 -1.93 0.00 0.00 178.83 177.70 1xqq h ASP 32 N -0.12 0.18 0.15 -0.69 3.58 -1.37 -0.27 116.42 117.87 1xqq h ASP 32 Ca 0.03 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1xqq h ASP 32 Cb 0.40 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1xqq h ASP 32 CO 0.01 0.25 -0.07 0.50 -2.88 0.00 0.00 179.24 177.05 1xqq h LYS 33 N 0.10 -0.19 0.00 0.28 3.64 -1.48 -3.40 116.57 115.52 1xqq h LYS 33 Ca 0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1xqq h LYS 33 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xqq h LYS 33 CO -0.01 -0.13 -0.59 0.93 -2.27 0.00 0.00 179.45 177.39 1xqq h GLU 34 N -0.34 0.00 0.00 1.90 4.39 -1.29 -3.48 114.58 115.77 1xqq h GLU 34 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xqq h GLU 34 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xqq h GLU 34 CO 0.03 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 1xqq n GLY 35 N 1.20 1.23 3.54 -3.84 0.00 -0.11 -5.03 105.19 102.18 1xqq n GLY 35 Ca 0.00 -0.37 -0.36 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 -2.00 4.56 0.40 -0.61 1.01 -1.24 -5.01 121.20 118.32 1xqq s ILE 36 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 1xqq s ILE 36 Cb 0.00 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 1xqq s ILE 36 CO 0.00 0.40 1.04 -2.16 0.00 0.00 0.00 174.94 174.21 1xqq s PRO 37 N 0.99 4.17 0.00 2.79 0.04 -1.26 -3.87 135.00 137.85 1xqq s PRO 37 Ca 0.04 1.48 0.29 0.00 0.04 0.00 0.00 61.00 62.85 1xqq s PRO 37 Cb -0.14 -2.51 1.27 0.00 0.04 0.00 0.00 34.50 33.16 1xqq s PRO 37 CO 0.03 -0.13 1.91 -0.35 0.04 0.00 0.00 177.00 178.50 1xqq n PRO 38 N -0.12 0.31 0.29 0.56 -0.04 -1.26 -2.03 135.00 132.70 1xqq n PRO 38 Ca 0.05 -0.05 0.19 0.00 -0.04 0.00 0.00 63.50 63.65 1xqq n PRO 38 Cb 0.50 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.40 1xqq n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xqq h ASP 39 N 0.13 0.00 0.00 3.54 3.58 -1.98 -2.94 116.42 118.75 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xqq h ASP 39 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1xqq h ASP 39 CO 0.00 0.00 -0.79 1.67 -2.88 0.00 0.00 179.24 177.24 1xqq n GLN 40 N -2.93 1.68 -3.54 0.28 7.27 -0.86 -4.94 117.38 114.33 1xqq n GLN 40 Ca -0.01 -0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.68 1xqq n GLN 40 Cb 0.15 -1.26 -0.06 0.00 2.41 0.00 0.00 30.24 31.48 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -2.53 3.95 -0.00 3.69 -0.21 -1.11 0.24 119.66 123.68 1xqq s GLN 41 Ca 0.06 0.28 0.08 0.00 0.02 0.00 0.00 55.36 55.79 1xqq s GLN 41 Cb 0.12 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 1xqq s GLN 41 CO 0.66 0.57 -0.24 1.03 -2.12 0.00 0.00 175.29 175.19 1xqq s ARG 42 N -0.61 1.86 -0.04 2.91 0.52 0.67 -4.93 118.95 119.33 1xqq s ARG 42 Ca 0.21 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 1xqq s ARG 42 Cb -0.15 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.47 1xqq s ARG 42 CO 0.10 0.50 -0.21 -0.51 0.02 0.00 0.00 175.30 175.20 1xqq s LEU 43 N -0.70 2.00 -0.11 2.53 1.43 -1.26 -0.95 118.68 121.62 1xqq s LEU 43 Ca 0.09 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 43 Cb -0.09 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 1xqq s LEU 43 CO -0.00 0.22 -0.21 -0.63 0.23 0.00 0.00 176.35 175.96 1xqq s ILE 44 N -0.18 2.34 -0.15 -0.59 -1.09 -0.07 -1.55 121.20 119.90 1xqq s ILE 44 Ca -0.00 -0.92 -0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1xqq s ILE 44 Cb -0.11 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.88 1xqq s ILE 44 CO 0.02 0.55 -0.07 0.12 -1.23 0.00 0.00 174.94 174.32 1xqq s PHE 45 N 0.39 1.72 0.00 3.97 5.36 -0.94 -1.43 117.98 127.06 1xqq s PHE 45 Ca -0.16 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 1xqq s PHE 45 Cb -0.17 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 1xqq s PHE 45 CO 0.07 -0.60 0.00 0.00 -1.46 0.00 0.00 175.22 173.23 1xqq n ALA 46 N 4.88 0.00 -2.27 11.12 0.00 -1.26 -2.28 120.51 130.69 1xqq n ALA 46 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 0.79 3.56 0.00 0.00 -1.26 -5.06 105.19 103.22 1xqq n GLY 47 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.01 -0.07 1.61 2.20 -0.97 -5.15 119.74 119.37 1xqq s LYS 48 Ca 0.18 -1.34 0.03 0.00 -0.36 0.00 0.00 55.97 54.48 1xqq s LYS 48 Cb 0.21 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 1xqq s LYS 48 CO -0.09 0.42 -0.14 -1.14 -0.36 0.00 0.00 175.35 174.04 1xqq s GLN 49 N -2.94 2.76 0.48 4.03 0.74 -1.26 -2.21 119.66 121.25 1xqq s GLN 49 Ca 0.25 -0.69 -0.15 0.00 0.05 0.00 0.00 55.36 54.82 1xqq s GLN 49 Cb -0.08 -2.45 -0.08 0.00 1.10 0.00 0.00 33.01 31.50 1xqq s GLN 49 CO 0.15 0.51 0.92 -0.51 -0.55 0.00 0.00 175.29 175.81 1xqq s LEU 50 N -0.42 3.70 0.20 3.68 1.43 -0.60 -5.00 118.68 121.67 1xqq s LEU 50 Ca 0.05 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 1xqq s LEU 50 Cb -0.12 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1xqq s LEU 50 CO 0.02 -0.52 0.26 -1.61 0.23 0.00 0.00 176.35 174.73 1xqq s GLU 51 N -3.95 3.25 -0.10 1.70 2.02 -1.26 -4.82 118.70 115.54 1xqq s GLU 51 Ca 0.57 -0.78 -0.23 0.00 0.02 0.00 0.00 54.97 54.55 1xqq s GLU 51 Cb -0.10 -2.81 -0.19 0.00 0.10 0.00 0.00 34.13 31.13 1xqq s GLU 51 CO 0.30 0.47 0.77 -0.44 0.02 0.00 0.00 175.26 176.38 1xqq h ASP 52 N 1.79 -0.04 -0.11 -0.19 3.32 -1.98 -3.25 116.42 115.97 1xqq h ASP 52 Ca -0.49 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 55.88 1xqq h ASP 52 Cb 1.21 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1xqq h ASP 52 CO 0.64 0.71 0.04 0.61 -1.72 0.00 0.00 179.24 179.52 1xqq n GLY 53 N 1.18 2.00 3.95 2.75 0.00 -1.26 -0.90 105.19 112.90 1xqq n GLY 53 Ca -0.08 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.90 2.71 0.55 1.61 1.81 -1.23 -4.91 118.95 118.59 1xqq s ARG 54 Ca 0.08 -0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 1xqq s ARG 54 Cb 0.06 -2.40 0.02 0.00 -0.45 0.00 0.00 34.95 32.18 1xqq s ARG 54 CO 0.02 -0.69 0.81 0.95 -0.68 0.00 0.00 175.30 175.71 1xqq s THR 55 N -2.85 3.29 0.48 0.02 -4.23 -1.26 -1.63 115.64 109.47 1xqq s THR 55 Ca 0.55 -0.37 0.22 0.00 -1.18 0.00 0.00 61.69 60.90 1xqq s THR 55 Cb -0.10 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.85 1xqq s THR 55 CO 0.41 -0.23 1.95 -0.07 -0.54 0.00 0.00 174.62 176.14 1xqq h LEU 56 N 0.01 0.18 -0.06 4.79 -0.00 -1.61 -3.21 115.31 115.41 1xqq h LEU 56 Ca -0.45 0.01 -0.20 0.00 -0.00 0.00 0.00 57.88 57.25 1xqq h LEU 56 Cb 1.27 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1xqq h LEU 56 CO 0.57 0.09 -0.73 0.28 -0.00 0.00 0.00 178.44 178.65 1xqq h SER 57 N 0.19 0.74 -1.12 -0.43 0.02 -1.78 -0.41 113.55 110.76 1xqq h SER 57 Ca 0.32 -0.70 0.31 0.00 -0.84 0.00 0.00 61.79 60.89 1xqq h SER 57 Cb 1.01 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 1xqq h SER 57 CO -0.06 1.33 0.75 0.44 -1.14 0.00 0.00 176.83 178.15 1xqq h ASP 58 N 0.22 0.29 -0.02 3.07 3.32 -1.87 0.10 116.42 121.52 1xqq h ASP 58 Ca -0.07 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xqq h ASP 58 Cb 1.39 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1xqq h ASP 58 CO 0.15 0.03 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.41 1xqq n TYR 59 N -4.50 0.00 -2.74 4.55 4.01 -1.21 -4.98 117.16 112.31 1xqq n TYR 59 Ca 0.27 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.92 1xqq n TYR 59 Cb 1.05 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.81 -2.71 -4.56 7.72 5.03 0.35 -4.98 115.26 116.93 1xqq n ASN 60 Ca 0.10 -0.25 -0.43 0.00 0.87 0.00 0.00 54.58 54.88 1xqq n ASN 60 Cb 0.44 -2.43 -0.03 0.00 -1.02 0.00 0.00 39.78 36.73 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.14 4.20 0.35 2.41 1.01 -0.18 -5.02 121.20 120.81 1xqq s ILE 61 Ca 0.09 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.47 1xqq s ILE 61 Cb -0.04 -4.63 0.06 0.00 0.01 0.00 0.00 42.46 37.86 1xqq s ILE 61 CO 0.31 -1.20 0.48 0.00 0.00 0.00 0.00 174.94 174.53 1xqq n GLN 62 N 7.95 0.50 -2.06 2.79 6.02 -1.26 -4.61 117.38 126.72 1xqq n GLN 62 Ca 0.06 -1.54 -0.40 0.00 -0.01 0.00 0.00 57.00 55.12 1xqq n GLN 62 Cb 0.48 -0.24 -0.01 0.00 1.02 0.00 0.00 30.24 31.49 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 -3.61 4.06 0.00 -1.09 -2.85 -1.26 -3.52 119.74 111.47 1xqq s LYS 63 Ca 0.34 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 1xqq s LYS 63 Cb -0.02 -2.84 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1xqq s LYS 63 CO 0.22 -0.42 0.00 -1.91 0.10 0.00 0.00 175.35 173.34 1xqq n GLU 64 N 0.30 0.00 -2.82 1.78 2.13 0.19 -5.01 120.64 117.21 1xqq n GLU 64 Ca 0.03 0.44 -0.37 0.00 0.66 0.00 0.00 57.16 57.92 1xqq n GLU 64 Cb 0.43 -3.91 -0.06 0.00 0.27 0.00 0.00 31.44 28.17 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xqq s SER 65 N -2.99 7.28 -0.52 4.31 0.01 -1.23 -4.79 113.70 115.77 1xqq s SER 65 Ca 0.00 1.78 -0.17 0.00 1.31 0.00 0.00 55.95 58.87 1xqq s SER 65 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1xqq s SER 65 CO 0.00 -0.07 0.51 -0.89 0.41 0.00 0.00 173.24 173.19 1xqq s THR 66 N -1.64 5.13 -0.19 1.44 2.01 -1.26 -1.65 115.64 119.48 1xqq s THR 66 Ca 0.50 -1.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1xqq s THR 66 Cb -0.18 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1xqq s THR 66 CO 0.23 -0.82 0.13 -0.76 -0.69 0.00 0.00 174.62 172.71 1xqq s LEU 67 N 1.85 4.22 -0.06 4.42 1.02 -0.76 -4.74 118.68 124.64 1xqq s LEU 67 Ca 0.05 0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.42 1xqq s LEU 67 Cb -0.27 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 1xqq s LEU 67 CO 0.05 0.20 0.14 -1.00 0.02 0.00 0.00 176.35 175.76 1xqq s HIS 68 N 0.25 3.51 -0.33 0.29 3.76 -0.51 -0.22 115.29 122.04 1xqq s HIS 68 Ca 0.09 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1xqq s HIS 68 Cb -0.11 -1.86 0.09 0.00 1.11 0.00 0.00 32.58 31.81 1xqq s HIS 68 CO -0.01 0.66 0.02 -1.17 -0.85 0.00 0.00 174.74 173.39 1xqq s LEU 69 N -1.44 4.54 -0.29 0.89 2.96 0.16 -0.89 118.68 124.61 1xqq s LEU 69 Ca 0.20 -2.02 -0.15 0.00 -0.22 0.00 0.00 54.13 51.95 1xqq s LEU 69 Cb -0.12 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1xqq s LEU 69 CO 0.10 -0.35 0.36 -0.69 -1.32 0.00 0.00 176.35 174.46 1xqq s VAL 70 N 0.94 5.18 -0.04 1.68 1.01 -0.12 -3.85 120.40 125.20 1xqq s VAL 70 Ca 0.07 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 1xqq s VAL 70 Cb -0.19 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1xqq s VAL 70 CO -0.07 0.11 0.79 -0.76 0.00 0.00 0.00 175.10 175.16 1xqq s LEU 71 N 2.05 4.35 -0.07 3.92 1.43 -1.26 -0.24 118.68 128.86 1xqq s LEU 71 Ca 0.14 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 1xqq s LEU 71 Cb -0.16 -3.24 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1xqq s LEU 71 CO 0.10 -0.14 1.99 -0.60 0.23 0.00 0.00 176.35 177.93 1xqq s ARG 72 N 0.77 3.82 -0.16 1.70 3.52 0.14 -4.96 118.95 123.78 1xqq s ARG 72 Ca 0.42 2.33 -0.29 0.00 -0.13 0.00 0.00 55.73 58.05 1xqq s ARG 72 Cb -0.19 -4.20 -0.00 0.00 -1.56 0.00 0.00 34.95 29.00 1xqq s ARG 72 CO 0.21 -1.31 1.04 -1.17 -0.81 0.00 0.00 175.30 173.26 1xqq s LEU 73 N 5.60 4.18 -0.10 -0.88 2.96 -1.26 -4.87 118.68 124.31 1xqq s LEU 73 Ca 0.89 1.48 -0.09 0.00 -0.22 0.00 0.00 54.13 56.19 1xqq s LEU 73 Cb -0.38 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.72 1xqq s LEU 73 CO 0.38 -0.56 -0.19 0.54 -1.32 0.00 0.00 176.35 175.20 1xqq n ARG 74 N 5.65 0.30 0.06 1.98 1.74 -1.26 -5.05 116.66 120.08 1xqq n ARG 74 Ca 0.10 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1xqq n ARG 74 Cb 0.47 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 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 2.24 -0.98 0.00 -0.13 0.00 -1.26 -5.35 105.19 99.70 1xqq n GLY 75 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93