#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 2.30 0.14 3.17 -0.21 -1.26 -0.17 119.66 123.63 1xqq s GLN 2 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 55.36 54.58 1xqq s GLN 2 Cb 0.00 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1xqq s GLN 2 CO 0.00 0.56 -0.16 0.96 -2.12 0.00 0.00 175.29 174.53 1xqq s ILE 3 N -1.01 1.55 -0.22 1.08 -4.36 -0.60 -0.60 121.20 117.04 1xqq s ILE 3 Ca 0.17 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1xqq s ILE 3 Cb -0.11 -1.65 0.04 0.00 1.25 0.00 0.00 42.46 41.99 1xqq s ILE 3 CO 0.08 -0.34 -0.15 -0.36 0.24 0.00 0.00 174.94 174.40 1xqq s PHE 4 N -2.01 3.01 -0.41 1.37 0.08 -0.05 -1.84 117.98 118.12 1xqq s PHE 4 Ca 0.11 -1.91 -0.11 0.00 0.12 0.00 0.00 56.93 55.15 1xqq s PHE 4 Cb -0.06 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1xqq s PHE 4 CO 0.04 -0.83 0.26 0.08 -0.10 0.00 0.00 175.22 174.68 1xqq s VAL 5 N 1.22 4.49 -0.46 -0.44 1.01 -0.02 0.24 120.40 126.43 1xqq s VAL 5 Ca -0.01 -1.16 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 1xqq s VAL 5 Cb -0.16 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1xqq s VAL 5 CO -0.09 -0.42 0.99 -0.54 0.00 0.00 0.00 175.10 175.04 1xqq s LYS 6 N 1.50 3.60 1.08 2.72 1.02 0.09 -1.78 119.74 127.97 1xqq s LYS 6 Ca 0.03 0.29 -0.17 0.00 0.02 0.00 0.00 55.97 56.14 1xqq s LYS 6 Cb -0.22 -3.92 0.24 0.00 -0.52 0.00 0.00 37.83 33.41 1xqq s LYS 6 CO 0.04 -1.26 1.19 0.95 -0.92 0.00 0.00 175.35 175.35 1xqq s THR 7 N 3.95 1.80 0.02 2.17 -4.23 -0.65 0.40 115.64 119.10 1xqq s THR 7 Ca 0.40 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.70 1xqq s THR 7 Cb -0.09 -2.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 1xqq s THR 7 CO 0.28 0.00 1.29 0.25 -0.54 0.00 0.00 174.62 175.89 1xqq h LEU 8 N -2.11 0.31 0.00 4.79 5.85 -1.86 -3.42 115.31 118.87 1xqq h LEU 8 Ca -0.46 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 57.74 1xqq h LEU 8 Cb 1.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1xqq h LEU 8 CO 0.39 0.77 0.00 0.35 -0.34 0.00 0.00 178.44 179.61 1xqq n THR 9 N -4.59 0.00 -2.20 1.05 -2.24 -1.26 -4.96 114.28 100.08 1xqq n THR 9 Ca -0.07 0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1xqq n THR 9 Cb 0.37 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 2.33 0.87 3.27 3.38 0.00 -1.26 -5.14 105.19 108.63 1xqq n GLY 10 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.04 1.72 -0.20 1.61 2.20 -1.26 -5.01 119.74 118.83 1xqq s LYS 11 Ca 0.03 -0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 54.70 1xqq s LYS 11 Cb 0.14 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 1xqq s LYS 11 CO -0.04 0.47 -0.01 0.99 -0.36 0.00 0.00 175.35 176.39 1xqq s THR 12 N -0.65 3.78 -0.03 3.43 2.01 -1.26 -1.64 115.64 121.28 1xqq s THR 12 Ca 0.09 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1xqq s THR 12 Cb -0.09 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1xqq s THR 12 CO 0.00 0.43 0.15 0.27 -0.69 0.00 0.00 174.62 174.78 1xqq s ILE 13 N 1.11 5.29 -0.32 1.82 -4.36 -0.73 -4.93 121.20 119.08 1xqq s ILE 13 Ca 0.02 -0.15 -0.10 0.00 -0.26 0.00 0.00 60.65 60.16 1xqq s ILE 13 Cb -0.14 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.14 1xqq s ILE 13 CO 0.01 0.38 0.16 -0.89 0.24 0.00 0.00 174.94 174.84 1xqq s THR 14 N -1.24 4.56 0.22 8.37 2.01 -1.26 -0.84 115.64 127.46 1xqq s THR 14 Ca 0.24 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.78 1xqq s THR 14 Cb -0.12 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1xqq s THR 14 CO 0.15 0.00 0.15 -0.76 -0.69 0.00 0.00 174.62 173.47 1xqq s LEU 15 N 1.59 3.72 -0.25 4.42 1.43 -0.77 -4.98 118.68 123.86 1xqq s LEU 15 Ca 0.04 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 15 Cb -0.17 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1xqq s LEU 15 CO 0.06 0.00 0.09 -0.70 0.23 0.00 0.00 176.35 176.04 1xqq s GLU 16 N -3.57 3.75 0.04 1.70 2.12 -1.26 -1.55 118.70 119.92 1xqq s GLU 16 Ca 0.32 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.19 1xqq s GLU 16 Cb -0.08 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1xqq s GLU 16 CO 0.24 -0.13 0.02 0.14 -0.54 0.00 0.00 175.26 174.98 1xqq s VAL 17 N 1.50 0.15 0.44 3.70 -7.23 0.76 -4.97 120.40 114.74 1xqq s VAL 17 Ca 0.06 -1.24 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 1xqq s VAL 17 Cb -0.15 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1xqq s VAL 17 CO 0.05 -0.68 0.75 -1.61 -0.31 0.00 0.00 175.10 173.29 1xqq s GLU 18 N -2.60 3.60 0.00 4.82 2.02 -1.26 -0.37 118.70 124.91 1xqq s GLU 18 Ca -0.05 0.21 0.29 0.00 0.02 0.00 0.00 54.97 55.44 1xqq s GLU 18 Cb -0.01 -2.42 1.63 0.00 0.10 0.00 0.00 34.13 33.43 1xqq s GLU 18 CO -0.05 -0.11 2.03 -0.35 0.02 0.00 0.00 175.26 176.80 1xqq n PRO 19 N -1.90 0.76 0.10 0.39 -0.04 -1.26 -3.49 135.00 129.55 1xqq n PRO 19 Ca 0.00 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1xqq n PRO 19 Cb 0.55 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xqq h SER 20 N 0.00 0.00 -3.92 3.54 0.02 -1.98 -2.67 113.55 108.54 1xqq h SER 20 Ca 0.00 -0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.38 1xqq h SER 20 Cb 0.07 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.70 1xqq h SER 20 CO 0.00 0.05 0.27 -1.81 -1.14 0.00 0.00 176.83 174.20 1xqq s ASP 21 N -4.76 4.71 0.68 3.07 1.01 -1.23 -4.82 116.67 115.33 1xqq s ASP 21 Ca 0.06 0.51 -0.02 0.00 0.71 0.00 0.00 52.55 53.81 1xqq s ASP 21 Cb 0.11 -1.11 0.11 0.00 1.01 0.00 0.00 42.92 43.04 1xqq s ASP 21 CO 0.71 -1.69 0.72 0.35 0.21 0.00 0.00 175.17 175.47 1xqq n THR 22 N -3.02 0.00 0.24 -1.27 -2.24 -1.26 -2.41 114.28 104.32 1xqq n THR 22 Ca 0.08 -1.05 0.12 0.00 -2.27 0.00 0.00 64.05 60.94 1xqq n THR 22 Cb 0.61 -1.12 0.14 0.00 -2.10 0.00 0.00 70.33 67.86 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N -0.66 0.00 -0.14 2.28 1.08 -0.90 -3.29 117.51 115.88 1xqq h ILE 23 Ca -0.24 -0.93 -0.16 0.00 -0.39 0.00 0.00 64.86 63.14 1xqq h ILE 23 Cb 0.85 1.77 0.01 0.00 -3.07 0.00 0.00 36.82 36.38 1xqq h ILE 23 CO 0.24 0.00 -0.55 -0.08 -0.69 0.00 0.00 178.15 177.07 1xqq h GLU 24 N 0.00 0.62 -0.35 2.37 4.81 -1.70 -2.62 114.58 117.72 1xqq h GLU 24 Ca 0.00 -0.48 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1xqq h GLU 24 Cb 0.97 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1xqq h GLU 24 CO 0.00 1.10 0.34 -0.97 -0.73 0.00 0.00 179.01 178.75 1xqq h ASN 25 N 0.27 0.00 0.32 1.04 -0.73 -1.87 -2.17 115.58 112.44 1xqq h ASN 25 Ca -0.03 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1xqq h ASN 25 Cb 1.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.78 1xqq h ASN 25 CO 0.12 0.00 -0.15 0.58 -0.37 0.00 0.00 177.43 177.60 1xqq h VAL 26 N 0.00 0.66 -0.05 2.57 2.07 -1.58 -3.30 116.25 116.63 1xqq h VAL 26 Ca 0.16 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1xqq h VAL 26 Cb 0.83 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1xqq h VAL 26 CO -0.00 0.11 -0.10 0.11 0.02 0.00 0.00 177.57 177.72 1xqq h LYS 27 N -0.79 0.07 -0.48 1.57 1.57 -1.29 -1.53 116.57 115.70 1xqq h LYS 27 Ca -0.04 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 27 Cb 0.51 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 1xqq h LYS 27 CO 0.07 0.17 -0.10 0.00 -0.57 0.00 0.00 179.45 179.02 1xqq h ALA 28 N 1.84 0.34 -0.45 3.86 0.00 -1.65 -1.19 119.26 122.01 1xqq h ALA 28 Ca 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xqq h ALA 28 Cb 0.21 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xqq h ALA 28 CO 0.01 -0.44 0.07 0.87 0.00 0.00 0.00 179.25 179.76 1xqq h LYS 29 N 0.02 0.69 -0.14 0.00 1.57 -1.38 0.13 116.57 117.46 1xqq h LYS 29 Ca 0.23 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1xqq h LYS 29 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 29 CO -0.48 0.66 -0.45 0.82 -0.57 0.00 0.00 179.45 179.44 1xqq h ILE 30 N 0.67 1.35 -0.17 1.86 2.04 -1.01 -0.17 117.51 122.08 1xqq h ILE 30 Ca 0.14 -1.73 -0.19 0.00 1.00 0.00 0.00 64.86 64.09 1xqq h ILE 30 Cb 0.32 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1xqq h ILE 30 CO 0.00 0.53 -0.66 0.06 0.00 0.00 0.00 178.15 178.08 1xqq h GLN 31 N 0.19 0.67 -0.03 2.37 3.07 -1.10 0.23 115.11 120.50 1xqq h GLN 31 Ca -0.02 -0.48 -0.10 0.00 0.09 0.00 0.00 58.65 58.14 1xqq h GLN 31 Cb 1.07 0.08 0.01 0.00 0.08 0.00 0.00 27.48 28.72 1xqq h GLN 31 CO 0.10 1.10 -0.39 0.22 0.09 0.00 0.00 178.83 179.95 1xqq h ASP 32 N 0.48 0.40 0.00 0.06 3.58 -1.00 -3.35 116.42 116.59 1xqq h ASP 32 Ca -0.02 -0.71 -0.09 0.00 0.42 0.00 0.00 57.03 56.63 1xqq h ASP 32 Cb 1.25 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1xqq h ASP 32 CO 0.13 1.05 -0.74 0.50 -2.88 0.00 0.00 179.24 177.30 1xqq h LYS 33 N -0.22 0.00 0.15 0.28 3.64 -1.06 -3.43 116.57 115.93 1xqq h LYS 33 Ca -0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1xqq h LYS 33 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1xqq h LYS 33 CO 0.08 0.47 -0.07 1.49 -2.27 0.00 0.00 179.45 179.15 1xqq h GLU 34 N -1.00 -0.19 0.00 1.90 4.57 -1.27 -3.49 114.58 115.10 1xqq h GLU 34 Ca -0.14 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1xqq h GLU 34 Cb 0.82 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1xqq h GLU 34 CO -0.09 -0.13 0.00 0.41 -1.18 0.00 0.00 179.01 178.02 1xqq n GLY 35 N 1.13 0.79 3.48 1.92 0.00 0.66 -5.02 105.19 108.16 1xqq n GLY 35 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.54 4.65 0.78 -0.61 1.01 -1.20 -4.97 121.20 119.32 1xqq s ILE 36 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1xqq s ILE 36 Cb 0.00 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.28 1xqq s ILE 36 CO 0.00 0.22 1.16 -2.84 0.00 0.00 0.00 174.94 173.48 1xqq s PRO 37 N 1.65 1.94 0.46 2.79 0.02 -1.26 -3.87 135.00 136.73 1xqq s PRO 37 Ca 0.06 1.55 0.30 0.00 0.02 0.00 0.00 61.00 62.92 1xqq s PRO 37 Cb -0.16 -1.83 1.08 0.00 0.02 0.00 0.00 34.50 33.61 1xqq s PRO 37 CO 0.06 -1.94 1.86 -1.00 -0.33 0.00 0.00 177.00 175.65 1xqq h PRO 38 N -0.83 0.00 0.00 5.54 0.13 -1.97 -2.65 132.00 132.22 1xqq h PRO 38 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xqq h PRO 38 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.48 0.00 -0.77 -0.40 -0.23 0.00 0.00 178.00 177.09 1xqq n ASP 39 N -2.90 0.62 -0.11 1.44 5.75 -1.26 -2.84 116.55 117.25 1xqq n ASP 39 Ca 0.02 -0.16 0.13 0.00 -0.01 0.00 0.00 54.79 54.77 1xqq n ASP 39 Cb 0.34 0.47 0.46 0.00 -1.03 0.00 0.00 41.12 41.36 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xqq n GLN 40 N -1.86 0.49 -3.49 0.11 6.02 -1.00 -4.55 117.38 113.10 1xqq n GLN 40 Ca 0.03 -0.23 -0.42 0.00 -0.01 0.00 0.00 57.00 56.37 1xqq n GLN 40 Cb 0.40 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.67 2.86 -0.15 -1.09 -0.21 -1.13 -0.63 119.66 116.65 1xqq s GLN 41 Ca 0.22 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.37 1xqq s GLN 41 Cb 0.19 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 30.26 1xqq s GLN 41 CO 0.55 -0.88 -0.18 0.50 -2.12 0.00 0.00 175.29 173.16 1xqq s ARG 42 N 1.59 3.14 -0.20 2.91 3.52 -1.17 -4.65 118.95 124.08 1xqq s ARG 42 Ca 0.04 -0.79 -0.09 0.00 -0.13 0.00 0.00 55.73 54.76 1xqq s ARG 42 Cb -0.22 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1xqq s ARG 42 CO 0.06 0.01 0.10 -0.51 -0.81 0.00 0.00 175.30 174.15 1xqq s LEU 43 N 0.81 3.96 -0.04 -0.88 1.43 -1.26 -1.00 118.68 121.69 1xqq s LEU 43 Ca -0.06 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1xqq s LEU 43 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1xqq s LEU 43 CO -0.01 0.14 -0.06 -0.63 0.23 0.00 0.00 176.35 176.03 1xqq s ILE 44 N 0.60 3.79 -0.03 -0.59 1.01 0.11 -0.80 121.20 125.29 1xqq s ILE 44 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1xqq s ILE 44 Cb -0.12 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1xqq s ILE 44 CO 0.01 0.52 -0.03 0.12 0.00 0.00 0.00 174.94 175.56 1xqq s PHE 45 N -0.90 0.52 0.00 3.97 5.36 -0.44 0.09 117.98 126.57 1xqq s PHE 45 Ca 0.15 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1xqq s PHE 45 Cb -0.11 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 1xqq s PHE 45 CO 0.04 -0.13 0.00 0.00 -1.46 0.00 0.00 175.22 173.67 1xqq n ALA 46 N 3.91 0.00 -0.38 11.12 0.00 -1.26 -1.94 120.51 131.96 1xqq n ALA 46 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1xqq n ALA 46 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.10 3.57 0.00 0.00 -1.26 -5.07 105.19 102.53 1xqq n GLY 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.32 2.50 -0.06 1.61 -2.85 -0.82 -5.12 119.74 114.68 1xqq s LYS 48 Ca 0.00 -0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 54.03 1xqq s LYS 48 Cb 0.00 -2.46 -0.05 0.00 -2.06 0.00 0.00 37.83 33.26 1xqq s LYS 48 CO 0.00 0.60 0.53 1.14 0.10 0.00 0.00 175.35 177.72 1xqq s GLN 49 N -1.35 4.30 0.09 1.78 -2.07 -1.26 -1.33 119.66 119.82 1xqq s GLN 49 Ca 0.16 0.59 -0.21 0.00 -1.82 0.00 0.00 55.36 54.08 1xqq s GLN 49 Cb -0.11 -3.38 -0.07 0.00 -1.09 0.00 0.00 33.01 28.36 1xqq s GLN 49 CO 0.07 0.28 0.63 -0.51 -1.32 0.00 0.00 175.29 174.43 1xqq s LEU 50 N 0.17 4.54 0.00 2.60 1.43 0.02 -4.99 118.68 122.46 1xqq s LEU 50 Ca 0.29 1.36 -0.09 0.00 -1.03 0.00 0.00 54.13 54.66 1xqq s LEU 50 Cb -0.17 -3.00 0.14 0.00 0.03 0.00 0.00 46.19 43.19 1xqq s LEU 50 CO 0.14 0.25 0.82 -1.84 0.23 0.00 0.00 176.35 175.94 1xqq n GLU 51 N 1.74 -0.67 -0.00 1.70 0.28 -1.26 -4.55 120.64 117.87 1xqq n GLU 51 Ca -0.09 -1.38 -0.00 0.00 -0.16 0.00 0.00 57.16 55.53 1xqq n GLU 51 Cb 0.50 -0.80 -0.00 0.00 1.43 0.00 0.00 31.44 32.57 1xqq n GLU 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1xqq h ASP 52 N -1.00 0.00 -0.85 -1.84 3.32 -1.99 -3.42 116.42 110.64 1xqq h ASP 52 Ca -0.26 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.17 1xqq h ASP 52 Cb 0.76 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.20 1xqq h ASP 52 CO 0.20 0.03 1.82 0.61 -1.72 0.00 0.00 179.24 180.17 1xqq n GLY 53 N 1.92 4.63 3.19 2.75 0.00 -1.26 -2.11 105.19 114.31 1xqq n GLY 53 Ca -0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1xqq n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xqq s ARG 54 N -0.62 0.35 0.70 1.61 3.52 -1.26 -5.01 118.95 118.24 1xqq s ARG 54 Ca 0.59 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.53 1xqq s ARG 54 Cb 0.25 0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1xqq s ARG 54 CO -0.12 -0.06 1.09 0.95 -0.81 0.00 0.00 175.30 176.35 1xqq s THR 55 N 0.30 3.63 0.14 4.11 -4.23 -1.26 -2.16 115.64 116.18 1xqq s THR 55 Ca -0.01 0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1xqq s THR 55 Cb -0.03 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1xqq s THR 55 CO -0.01 -0.69 1.74 -0.07 -0.54 0.00 0.00 174.62 175.05 1xqq h LEU 56 N -0.63 0.46 -1.06 4.79 3.38 -1.61 -2.89 115.31 117.74 1xqq h LEU 56 Ca -0.45 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 57.55 1xqq h LEU 56 Cb 1.25 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.63 0.41 0.62 0.28 0.09 0.00 0.00 178.44 180.47 1xqq h SER 57 N 0.47 0.89 0.30 -0.43 0.02 -1.66 0.18 113.55 113.32 1xqq h SER 57 Ca 0.13 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1xqq h SER 57 Cb 0.05 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xqq h SER 57 CO -0.02 0.48 -0.14 -0.78 -1.14 0.00 0.00 176.83 175.23 1xqq h ASP 58 N 0.96 -0.34 0.29 3.07 3.58 -1.86 -2.62 116.42 119.50 1xqq h ASP 58 Ca 0.48 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1xqq h ASP 58 Cb 0.49 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1xqq h ASP 58 CO -0.24 -0.10 0.00 -1.22 -2.88 0.00 0.00 179.24 174.79 1xqq n TYR 59 N -5.19 0.00 -2.89 0.28 4.01 -1.10 -4.90 117.16 107.36 1xqq n TYR 59 Ca -0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 1xqq n TYR 59 Cb 0.23 -0.28 0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N -1.28 -2.73 -4.47 7.72 5.15 -0.42 -5.02 115.26 114.22 1xqq n ASN 60 Ca 0.07 -0.43 -0.37 0.00 -0.60 0.00 0.00 54.58 53.26 1xqq n ASN 60 Cb 0.12 -3.61 -0.12 0.00 -0.53 0.00 0.00 39.78 35.64 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 -3.25 4.51 0.13 -1.44 1.01 0.52 -5.00 121.20 117.68 1xqq s ILE 61 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xqq s ILE 61 Cb -0.01 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 1xqq s ILE 61 CO 0.49 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.70 1xqq n GLN 62 N 4.95 1.68 -1.85 2.79 6.02 -1.26 -4.33 117.38 125.39 1xqq n GLN 62 Ca -0.15 -0.95 -0.43 0.00 -0.01 0.00 0.00 57.00 55.46 1xqq n GLN 62 Cb 0.51 0.26 -0.03 0.00 1.02 0.00 0.00 30.24 32.00 1xqq n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1xqq s LYS 63 N -2.47 3.79 -0.30 -1.09 1.02 -1.26 -2.37 119.74 117.06 1xqq s LYS 63 Ca 0.00 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.09 1xqq s LYS 63 Cb 0.00 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.16 1xqq s LYS 63 CO 0.00 -1.33 0.00 0.39 -0.92 0.00 0.00 175.35 173.49 1xqq n GLU 64 N 7.82 -0.24 -1.81 1.68 1.02 0.23 -4.97 120.64 124.37 1xqq n GLU 64 Ca 0.22 0.54 -0.39 0.00 -0.02 0.00 0.00 57.16 57.51 1xqq n GLU 64 Cb 0.44 -4.13 0.03 0.00 -0.02 0.00 0.00 31.44 27.76 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 -2.84 5.50 -0.19 1.62 0.01 -1.00 -4.65 113.70 112.15 1xqq s SER 65 Ca 0.00 2.79 -0.16 0.00 1.31 0.00 0.00 55.95 59.89 1xqq s SER 65 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1xqq s SER 65 CO 0.00 -1.42 0.39 -0.89 0.41 0.00 0.00 173.24 171.73 1xqq s THR 66 N -1.28 5.21 0.14 1.44 2.01 -1.26 -0.88 115.64 121.02 1xqq s THR 66 Ca 0.68 0.70 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1xqq s THR 66 Cb -0.41 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1xqq s THR 66 CO 0.50 0.28 0.04 -0.76 -0.69 0.00 0.00 174.62 173.99 1xqq s LEU 67 N 1.14 3.54 -0.12 4.42 1.43 0.14 -4.61 118.68 124.63 1xqq s LEU 67 Ca 0.19 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1xqq s LEU 67 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1xqq s LEU 67 CO 0.08 0.12 -0.14 -1.00 0.23 0.00 0.00 176.35 175.63 1xqq s HIS 68 N -1.57 2.78 -0.21 0.29 3.76 0.11 -0.73 115.29 119.72 1xqq s HIS 68 Ca 0.28 -0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 1xqq s HIS 68 Cb -0.11 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 1xqq s HIS 68 CO 0.20 -0.16 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.75 1xqq s LEU 69 N 0.18 3.14 0.00 0.89 2.96 0.16 -0.71 118.68 125.30 1xqq s LEU 69 Ca -0.08 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1xqq s LEU 69 Cb -0.15 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1xqq s LEU 69 CO 0.05 0.03 0.00 1.33 -1.32 0.00 0.00 176.35 176.44 1xqq n VAL 70 N 4.50 0.00 -3.23 1.68 0.24 -0.17 -3.28 118.33 118.06 1xqq n VAL 70 Ca -0.17 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 1xqq n VAL 70 Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 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 4.28 -0.25 1.34 2.96 -1.26 -3.03 118.68 122.72 1xqq s LEU 71 Ca 0.00 0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 54.64 1xqq s LEU 71 Cb 0.00 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 1xqq s LEU 71 CO 0.00 -0.04 0.57 -0.60 -1.32 0.00 0.00 176.35 174.96 1xqq s ARG 72 N 0.71 4.10 -0.02 1.98 3.52 0.20 -4.60 118.95 124.84 1xqq s ARG 72 Ca 0.29 0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 56.31 1xqq s ARG 72 Cb -0.16 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1xqq s ARG 72 CO 0.13 -0.37 0.13 -0.51 -0.81 0.00 0.00 175.30 173.86 1xqq s LEU 73 N 2.37 4.16 -0.25 -0.88 1.43 -1.26 -4.56 118.68 119.69 1xqq s LEU 73 Ca 0.24 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 1xqq s LEU 73 Cb -0.16 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1xqq s LEU 73 CO 0.09 0.28 2.17 -1.14 0.23 0.00 0.00 176.35 177.98 1xqq n ARG 74 N 1.18 1.62 0.00 1.70 3.00 -1.26 -4.37 116.66 118.53 1xqq n ARG 74 Ca -0.13 0.47 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1xqq n ARG 74 Cb 0.53 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.16 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xqq n GLY 75 N 5.92 0.63 0.00 5.14 0.00 -1.26 -5.32 105.19 110.30 1xqq n GLY 75 Ca 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93