#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 3.33 0.27 3.17 -0.21 -1.26 -1.29 119.66 123.66 1xqq s GLN 2 Ca 0.00 -0.32 -0.19 0.00 0.02 0.00 0.00 55.36 54.87 1xqq s GLN 2 Cb 0.00 -3.93 -0.09 0.00 1.00 0.00 0.00 33.01 29.99 1xqq s GLN 2 CO 0.00 -0.97 0.76 0.96 -2.12 0.00 0.00 175.29 173.92 1xqq s ILE 3 N 2.80 4.54 -0.51 1.08 -4.36 -0.68 -1.64 121.20 122.43 1xqq s ILE 3 Ca 0.23 1.28 0.03 0.00 -0.26 0.00 0.00 60.65 61.93 1xqq s ILE 3 Cb -0.14 -3.81 0.13 0.00 1.25 0.00 0.00 42.46 39.89 1xqq s ILE 3 CO 0.18 0.09 0.27 -0.36 0.24 0.00 0.00 174.94 175.36 1xqq s PHE 4 N -1.67 2.82 -0.16 1.37 0.08 -0.43 -2.06 117.98 117.93 1xqq s PHE 4 Ca 0.47 -2.95 -0.29 0.00 0.12 0.00 0.00 56.93 54.28 1xqq s PHE 4 Cb -0.15 -2.51 -0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1xqq s PHE 4 CO 0.20 -0.74 0.99 0.08 -0.10 0.00 0.00 175.22 175.65 1xqq s VAL 5 N -0.18 4.76 -0.22 -0.44 1.01 -0.50 -1.91 120.40 122.93 1xqq s VAL 5 Ca 0.18 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 64.11 1xqq s VAL 5 Cb -0.24 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1xqq s VAL 5 CO -0.01 -0.06 -0.08 -0.75 0.00 0.00 0.00 175.10 174.20 1xqq s LYS 6 N 2.47 3.21 0.68 2.72 2.47 0.30 -0.47 119.74 131.12 1xqq s LYS 6 Ca 0.45 -0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 54.03 1xqq s LYS 6 Cb -0.17 -2.91 -0.00 0.00 -1.46 0.00 0.00 37.83 33.29 1xqq s LYS 6 CO 0.13 -0.23 1.06 0.95 0.16 0.00 0.00 175.35 177.42 1xqq s THR 7 N 1.41 4.05 -0.28 3.43 -4.23 -0.10 -0.50 115.64 119.42 1xqq s THR 7 Ca 0.05 0.67 0.21 0.00 -1.18 0.00 0.00 61.69 61.44 1xqq s THR 7 Cb -0.14 -3.55 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1xqq s THR 7 CO -0.06 -0.87 1.60 -0.07 -0.54 0.00 0.00 174.62 174.68 1xqq h LEU 8 N -0.60 0.00 -0.21 4.79 3.38 -1.89 -3.15 115.31 117.63 1xqq h LEU 8 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 8 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xqq h LEU 8 CO 0.61 0.17 -0.30 0.71 0.09 0.00 0.00 178.44 179.72 1xqq h THR 9 N 0.00 1.33 0.00 0.22 1.35 -1.93 -3.47 112.91 110.40 1xqq h THR 9 Ca -0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 1xqq h THR 9 Cb 1.07 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1xqq h THR 9 CO 0.02 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1xqq n GLY 10 N 0.28 -0.18 3.85 5.82 0.00 -1.19 -5.15 105.19 108.63 1xqq n GLY 10 Ca -0.05 0.00 -0.35 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 3.90 -0.24 1.61 2.20 -1.26 -4.87 119.74 121.07 1xqq s LYS 11 Ca 0.00 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1xqq s LYS 11 Cb 0.00 -2.92 0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1xqq s LYS 11 CO 0.00 0.49 -0.07 0.99 -0.36 0.00 0.00 175.35 176.40 1xqq s THR 12 N -1.48 2.81 -0.49 3.43 2.01 -1.26 -0.92 115.64 119.74 1xqq s THR 12 Ca 0.37 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 1xqq s THR 12 Cb -0.14 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.01 1xqq s THR 12 CO 0.19 0.21 0.53 -0.63 -0.69 0.00 0.00 174.62 174.23 1xqq s ILE 13 N 1.32 5.02 -0.16 1.82 1.01 0.39 -4.92 121.20 125.67 1xqq s ILE 13 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 1xqq s ILE 13 Cb -0.17 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1xqq s ILE 13 CO -0.05 -0.71 1.30 -0.89 0.00 0.00 0.00 174.94 174.59 1xqq s THR 14 N 2.24 4.22 -0.04 2.92 2.01 -1.26 -1.42 115.64 124.32 1xqq s THR 14 Ca 0.11 1.48 0.03 0.00 0.31 0.00 0.00 61.69 63.61 1xqq s THR 14 Cb -0.21 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1xqq s THR 14 CO 0.10 -0.14 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.02 1xqq s LEU 15 N 3.56 1.77 -0.52 4.42 1.43 -0.88 -5.02 118.68 123.45 1xqq s LEU 15 Ca 0.56 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.17 1xqq s LEU 15 Cb -0.23 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1xqq s LEU 15 CO 0.16 0.08 0.97 -1.61 0.23 0.00 0.00 176.35 176.18 1xqq s GLU 16 N 0.26 3.44 0.43 1.70 2.02 -1.26 -1.69 118.70 123.60 1xqq s GLU 16 Ca -0.05 -0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1xqq s GLU 16 Cb -0.10 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 1xqq s GLU 16 CO 0.01 -1.40 0.10 0.14 0.02 0.00 0.00 175.26 174.13 1xqq s VAL 17 N 4.01 2.02 0.27 2.63 -7.23 -0.41 -4.86 120.40 116.84 1xqq s VAL 17 Ca 0.35 -1.84 0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1xqq s VAL 17 Cb -0.11 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1xqq s VAL 17 CO 0.23 0.00 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.37 1xqq s GLU 18 N -3.84 2.15 0.48 4.82 0.41 -1.26 -0.65 118.70 120.80 1xqq s GLU 18 Ca 0.34 -1.51 0.25 0.00 -0.41 0.00 0.00 54.97 53.64 1xqq s GLU 18 Cb 0.06 -2.06 1.16 0.00 -1.78 0.00 0.00 34.13 31.51 1xqq s GLU 18 CO 0.18 0.34 1.94 -1.35 -0.49 0.00 0.00 175.26 175.89 1xqq h PRO 19 N 1.97 0.00 -0.01 0.39 0.11 -1.97 -2.34 132.00 130.14 1xqq h PRO 19 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.61 0.19 -0.10 0.43 -0.21 0.00 0.00 178.00 178.91 1xqq n SER 20 N -3.52 1.01 -4.80 -2.05 7.64 -1.26 -0.94 113.62 109.71 1xqq n SER 20 Ca -0.01 -1.08 -0.32 0.00 1.01 0.00 0.00 58.87 58.48 1xqq n SER 20 Cb 0.34 0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.25 5.24 0.14 6.43 1.01 -0.88 -4.81 116.67 121.54 1xqq s ASP 21 Ca 0.33 1.76 -0.05 0.00 0.71 0.00 0.00 52.55 55.30 1xqq s ASP 21 Cb 0.20 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 1xqq s ASP 21 CO 0.42 -1.54 0.38 0.42 0.21 0.00 0.00 175.17 175.06 1xqq s THR 22 N -2.79 5.16 0.24 -1.27 -4.23 -1.26 -1.56 115.64 109.94 1xqq s THR 22 Ca 0.61 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1xqq s THR 22 Cb -0.16 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.14 1xqq s THR 22 CO 0.49 0.06 1.71 0.40 -0.54 0.00 0.00 174.62 176.74 1xqq h ILE 23 N 2.11 1.25 -0.72 2.99 5.03 -1.30 -2.21 117.51 124.66 1xqq h ILE 23 Ca -0.46 -1.12 0.15 0.00 -0.12 0.00 0.00 64.86 63.31 1xqq h ILE 23 Cb 1.17 0.98 -0.10 0.00 -3.03 0.00 0.00 36.82 35.83 1xqq h ILE 23 CO 0.72 0.39 0.21 -0.08 -0.68 0.00 0.00 178.15 178.71 1xqq h GLU 24 N 0.73 0.31 -0.13 2.37 4.81 -1.14 0.15 114.58 121.68 1xqq h GLU 24 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1xqq h GLU 24 Cb 0.55 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xqq h GLU 24 CO 0.03 0.21 0.00 0.09 -0.73 0.00 0.00 179.01 178.61 1xqq n ASN 25 N -5.11 0.86 0.03 1.04 3.02 -0.94 -2.80 115.26 111.36 1xqq n ASN 25 Ca 0.13 -1.79 -0.03 0.00 -0.03 0.00 0.00 54.58 52.87 1xqq n ASN 25 Cb 0.43 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 1.03 0.00 -0.99 2.41 2.07 -0.40 -3.36 116.25 117.02 1xqq h VAL 26 Ca 0.00 -0.87 0.33 0.00 0.82 0.00 0.00 66.70 66.99 1xqq h VAL 26 Cb 0.23 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.85 1xqq h VAL 26 CO 0.00 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.21 1xqq h LYS 27 N -1.04 0.23 -0.63 1.57 1.57 -1.22 -1.43 116.57 115.62 1xqq h LYS 27 Ca -0.02 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1xqq h LYS 27 Cb 0.13 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 1xqq h LYS 27 CO 0.03 0.15 0.06 0.00 -0.57 0.00 0.00 179.45 179.12 1xqq h ALA 28 N 1.88 0.68 0.01 3.86 0.00 -1.67 -0.31 119.26 123.71 1xqq h ALA 28 Ca 0.74 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.63 1xqq h ALA 28 Cb 1.73 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1xqq h ALA 28 CO -0.66 -0.36 -0.88 0.87 0.00 0.00 0.00 179.25 178.22 1xqq h LYS 29 N 0.17 0.06 -0.07 0.00 1.57 -1.40 -2.40 116.57 114.51 1xqq h LYS 29 Ca 0.33 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1xqq h LYS 29 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1xqq h LYS 29 CO -0.49 0.90 -0.47 0.82 -0.57 0.00 0.00 179.45 179.63 1xqq h ILE 30 N 0.03 1.34 -0.15 1.86 2.04 -1.38 0.17 117.51 121.43 1xqq h ILE 30 Ca -0.02 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 64.06 1xqq h ILE 30 Cb 1.53 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 1xqq h ILE 30 CO 0.12 0.49 -0.40 -0.61 0.00 0.00 0.00 178.15 177.75 1xqq h GLN 31 N 0.13 0.33 0.04 2.37 4.15 -0.89 0.13 115.11 121.36 1xqq h GLN 31 Ca 0.01 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1xqq h GLN 31 Cb 0.89 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1xqq h GLN 31 CO 0.07 0.68 -0.02 0.22 -1.93 0.00 0.00 178.83 177.85 1xqq h ASP 32 N 0.27 -0.04 0.05 -0.69 3.58 -0.91 -2.72 116.42 115.96 1xqq h ASP 32 Ca 0.03 -0.65 -0.22 0.00 0.42 0.00 0.00 57.03 56.60 1xqq h ASP 32 Cb 0.83 0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.91 1xqq h ASP 32 CO 0.07 0.70 -0.89 0.11 -2.88 0.00 0.00 179.24 176.35 1xqq h LYS 33 N -0.86 0.51 0.00 0.28 1.57 -0.75 -3.38 116.57 113.94 1xqq h LYS 33 Ca -0.01 -0.62 -0.14 0.00 -1.87 0.00 0.00 60.65 58.02 1xqq h LYS 33 Cb 0.69 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1xqq h LYS 33 CO 0.01 1.24 -1.83 0.39 -0.57 0.00 0.00 179.45 178.69 1xqq n GLU 34 N -4.02 1.18 -0.53 3.15 -0.58 -0.42 -5.05 120.64 114.37 1xqq n GLU 34 Ca -0.12 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1xqq n GLU 34 Cb 0.82 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 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 1.93 0.68 3.69 0.62 0.00 0.31 -4.99 105.19 107.43 1xqq n GLY 35 Ca -0.14 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 5.13 0.67 -0.61 1.01 -1.23 -4.96 121.20 119.20 1xqq s ILE 36 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.49 1xqq s ILE 36 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1xqq s ILE 36 CO 0.00 0.23 0.98 -2.65 0.00 0.00 0.00 174.94 173.51 1xqq n PRO 37 N 4.30 0.70 0.12 2.79 -0.02 -1.26 -3.98 135.00 137.64 1xqq n PRO 37 Ca -0.05 0.29 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 1xqq n PRO 37 Cb 0.51 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N 0.09 0.00 0.00 0.52 0.13 -1.95 -3.24 132.00 127.55 1xqq h PRO 38 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1xqq h PRO 38 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1xqq h PRO 38 CO 0.49 0.16 -0.68 0.22 -0.23 0.00 0.00 178.00 177.95 1xqq h ASP 39 N 0.00 0.00 0.09 1.44 3.58 -1.98 -2.11 116.42 117.44 1xqq h ASP 39 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1xqq h ASP 39 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1xqq h ASP 39 CO 0.02 0.31 -0.06 1.56 -2.88 0.00 0.00 179.24 178.19 1xqq h GLN 40 N 0.00 0.00 -5.72 0.28 4.20 -1.96 -3.45 115.11 108.47 1xqq h GLN 40 Ca -0.04 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.08 1xqq h GLN 40 Cb 1.27 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 1xqq h GLN 40 CO 0.03 0.06 0.21 -0.65 -0.67 0.00 0.00 178.83 177.82 1xqq s GLN 41 N -4.74 4.22 -0.12 1.46 -0.21 -0.79 -1.24 119.66 118.24 1xqq s GLN 41 Ca -0.04 0.73 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1xqq s GLN 41 Cb 0.16 -3.59 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 1xqq s GLN 41 CO 0.63 -0.30 -0.13 1.03 -2.12 0.00 0.00 175.29 174.41 1xqq s ARG 42 N 2.09 3.28 -0.25 2.91 0.52 -0.06 -4.99 118.95 122.45 1xqq s ARG 42 Ca 0.31 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.70 1xqq s ARG 42 Cb -0.16 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1xqq s ARG 42 CO 0.10 0.27 0.32 -0.51 0.02 0.00 0.00 175.30 175.50 1xqq s LEU 43 N 0.21 4.08 -0.26 2.53 2.01 -1.26 -2.32 118.68 123.67 1xqq s LEU 43 Ca -0.08 0.29 -0.07 0.00 0.01 0.00 0.00 54.13 54.27 1xqq s LEU 43 Cb -0.15 -2.36 -0.02 0.00 0.01 0.00 0.00 46.19 43.67 1xqq s LEU 43 CO 0.05 -0.10 0.07 -0.63 1.01 0.00 0.00 176.35 176.75 1xqq s ILE 44 N 1.66 4.18 -0.24 -0.59 1.01 -0.43 -1.08 121.20 125.72 1xqq s ILE 44 Ca 0.14 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1xqq s ILE 44 Cb -0.15 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1xqq s ILE 44 CO 0.09 0.27 0.06 0.12 0.00 0.00 0.00 174.94 175.48 1xqq s PHE 45 N 1.58 3.10 0.00 3.97 5.36 -1.12 0.22 117.98 131.09 1xqq s PHE 45 Ca 0.05 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1xqq s PHE 45 Cb -0.16 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.32 1xqq s PHE 45 CO 0.03 -0.28 0.00 0.00 -1.46 0.00 0.00 175.22 173.51 1xqq n ALA 46 N 4.67 0.00 0.16 11.12 0.00 -1.26 -2.71 120.51 132.49 1xqq n ALA 46 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xqq n ALA 46 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.68 3.52 0.00 0.00 -1.26 -5.01 105.19 101.77 1xqq n GLY 47 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.98 3.38 -0.04 1.61 1.02 -1.10 -5.10 119.74 116.54 1xqq s LYS 48 Ca -0.03 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1xqq s LYS 48 Cb 0.11 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1xqq s LYS 48 CO 0.66 0.38 1.00 -1.14 -0.92 0.00 0.00 175.35 175.34 1xqq s GLN 49 N -0.01 4.50 -0.19 1.68 0.74 -1.26 -2.79 119.66 122.32 1xqq s GLN 49 Ca 0.00 1.43 -0.15 0.00 0.05 0.00 0.00 55.36 56.70 1xqq s GLN 49 Cb -0.13 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1xqq s GLN 49 CO 0.03 -0.16 0.36 -0.51 -0.55 0.00 0.00 175.29 174.46 1xqq s LEU 50 N 1.40 4.18 0.19 3.68 1.43 -0.24 -4.99 118.68 124.32 1xqq s LEU 50 Ca 0.51 0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 53.83 1xqq s LEU 50 Cb -0.20 -2.46 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 1xqq s LEU 50 CO 0.24 -0.02 0.85 -0.70 0.23 0.00 0.00 176.35 176.95 1xqq s GLU 51 N 1.08 4.69 0.01 1.70 2.12 -1.26 -4.59 118.70 122.44 1xqq s GLU 51 Ca 0.18 1.30 -0.25 0.00 0.36 0.00 0.00 54.97 56.56 1xqq s GLU 51 Cb -0.14 -3.28 -0.19 0.00 0.26 0.00 0.00 34.13 30.78 1xqq s GLU 51 CO 0.07 0.52 1.38 -0.44 -0.54 0.00 0.00 175.26 176.25 1xqq h ASP 52 N 4.40 -0.01 -0.09 -1.70 3.32 -1.97 -3.25 116.42 117.12 1xqq h ASP 52 Ca -0.46 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1xqq h ASP 52 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1xqq h ASP 52 CO 0.67 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 1xqq n GLY 53 N -0.12 -0.22 3.91 2.75 0.00 -1.26 -0.58 105.19 109.67 1xqq n GLY 53 Ca -0.08 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.88 3.21 0.61 1.61 0.52 -1.23 -4.95 118.95 116.84 1xqq s ARG 54 Ca 0.31 0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 1xqq s ARG 54 Cb 0.16 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.40 1xqq s ARG 54 CO 0.25 -0.53 0.88 0.95 0.02 0.00 0.00 175.30 176.87 1xqq s THR 55 N -2.95 2.85 0.11 0.02 -4.23 -1.26 -3.35 115.64 106.83 1xqq s THR 55 Ca 0.52 -0.37 0.20 0.00 -1.18 0.00 0.00 61.69 60.86 1xqq s THR 55 Cb -0.11 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 55 CO 0.46 -0.13 1.73 -0.07 -0.54 0.00 0.00 174.62 176.08 1xqq h LEU 56 N -0.20 0.00 -0.65 4.79 3.38 -1.28 -3.18 115.31 118.17 1xqq h LEU 56 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1xqq h LEU 56 Cb 1.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 56 CO 0.57 0.34 0.22 -1.28 0.09 0.00 0.00 178.44 178.38 1xqq h SER 57 N 0.00 0.93 -0.75 -0.43 0.87 -1.28 -1.53 113.55 111.36 1xqq h SER 57 Ca -0.00 -0.20 0.17 0.00 -1.23 0.00 0.00 61.79 60.53 1xqq h SER 57 Cb 0.91 -0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.50 1xqq h SER 57 CO 0.04 0.87 0.07 0.44 -0.53 0.00 0.00 176.83 177.73 1xqq h ASP 58 N 0.93 -0.22 -0.04 6.23 3.32 -1.85 0.15 116.42 124.95 1xqq h ASP 58 Ca 0.21 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1xqq h ASP 58 Cb 0.27 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xqq h ASP 58 CO -0.01 -0.14 0.00 -1.22 -1.72 0.00 0.00 179.24 176.15 1xqq n TYR 59 N -5.28 0.04 -2.24 4.55 4.01 -1.22 -4.92 117.16 112.10 1xqq n TYR 59 Ca 0.14 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1xqq n TYR 59 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.22 -2.22 -4.56 7.72 3.02 0.54 -4.98 115.26 114.57 1xqq n ASN 60 Ca 0.19 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 1xqq n ASN 60 Cb 0.25 -1.40 -0.07 0.00 -0.61 0.00 0.00 39.78 37.95 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 -2.42 4.90 0.06 2.41 1.01 -0.59 -5.03 121.20 121.54 1xqq s ILE 61 Ca 0.03 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1xqq s ILE 61 Cb -0.01 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1xqq s ILE 61 CO 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 174.94 174.67 1xqq n GLN 62 N 6.03 1.46 -2.35 2.79 1.13 -1.26 -4.55 117.38 120.63 1xqq n GLN 62 Ca -0.02 -0.40 -0.36 0.00 -1.94 0.00 0.00 57.00 54.28 1xqq n GLN 62 Cb 0.48 0.05 -0.01 0.00 0.11 0.00 0.00 30.24 30.87 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -2.25 3.69 -0.88 -1.09 -2.85 -1.26 -2.87 119.74 112.22 1xqq s LYS 63 Ca 0.03 1.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 1xqq s LYS 63 Cb -0.00 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 1xqq s LYS 63 CO 0.02 -0.57 0.00 0.39 0.10 0.00 0.00 175.35 175.29 1xqq n GLU 64 N -0.78 -2.30 -2.20 1.78 1.02 -0.65 -4.98 120.64 112.52 1xqq n GLU 64 Ca 0.09 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 1xqq n GLU 64 Cb 0.50 -5.06 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 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 -2.02 5.82 -0.29 1.62 0.01 -1.14 -4.87 113.70 112.84 1xqq s SER 65 Ca 0.00 2.29 -0.09 0.00 1.31 0.00 0.00 55.95 59.46 1xqq s SER 65 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1xqq s SER 65 CO 0.00 -1.16 0.14 -0.89 0.41 0.00 0.00 173.24 171.74 1xqq s THR 66 N -1.63 4.64 0.10 1.44 2.01 -1.26 -1.32 115.64 119.63 1xqq s THR 66 Ca 0.69 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1xqq s THR 66 Cb -0.28 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1xqq s THR 66 CO 0.32 0.18 0.07 -0.76 -0.69 0.00 0.00 174.62 173.74 1xqq s LEU 67 N 1.64 3.72 -0.14 4.42 1.02 -0.80 -4.62 118.68 123.91 1xqq s LEU 67 Ca 0.06 -0.08 -0.16 0.00 0.02 0.00 0.00 54.13 53.96 1xqq s LEU 67 Cb -0.16 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 1xqq s LEU 67 CO 0.06 0.15 0.39 -1.00 0.02 0.00 0.00 176.35 175.98 1xqq s HIS 68 N -1.45 3.49 -0.56 0.29 3.76 0.13 -0.54 115.29 120.42 1xqq s HIS 68 Ca 0.29 0.76 -0.06 0.00 -0.15 0.00 0.00 55.06 55.90 1xqq s HIS 68 Cb -0.12 -2.46 0.15 0.00 1.11 0.00 0.00 32.58 31.26 1xqq s HIS 68 CO 0.21 0.20 0.40 -1.17 -0.85 0.00 0.00 174.74 173.53 1xqq s LEU 69 N 0.56 5.54 -0.21 0.89 2.96 0.34 -1.32 118.68 127.44 1xqq s LEU 69 Ca 0.22 -2.40 -0.13 0.00 -0.22 0.00 0.00 54.13 51.59 1xqq s LEU 69 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1xqq s LEU 69 CO 0.07 -0.52 0.27 -0.69 -1.32 0.00 0.00 176.35 174.16 1xqq s VAL 70 N 0.61 5.29 0.42 1.68 1.01 -0.98 -3.35 120.40 125.09 1xqq s VAL 70 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1xqq s VAL 70 Cb -0.21 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1xqq s VAL 70 CO -0.03 0.32 0.64 -0.76 0.00 0.00 0.00 175.10 175.27 1xqq s LEU 71 N 1.00 3.75 -0.08 3.92 1.43 -1.26 -0.88 118.68 126.57 1xqq s LEU 71 Ca 0.13 0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.42 1xqq s LEU 71 Cb -0.14 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1xqq s LEU 71 CO 0.05 -0.57 0.54 -0.60 0.23 0.00 0.00 176.35 175.99 1xqq s ARG 72 N -4.50 4.32 -0.72 1.70 3.52 -0.37 -4.89 118.95 118.01 1xqq s ARG 72 Ca 0.46 0.58 -0.16 0.00 -0.13 0.00 0.00 55.73 56.48 1xqq s ARG 72 Cb -0.10 -3.40 0.16 0.00 -1.56 0.00 0.00 34.95 30.05 1xqq s ARG 72 CO 0.38 0.23 0.75 -0.51 -0.81 0.00 0.00 175.30 175.33 1xqq s LEU 73 N 0.35 6.08 0.01 -0.88 1.43 -1.26 -4.81 118.68 119.61 1xqq s LEU 73 Ca 0.29 -2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.26 1xqq s LEU 73 Cb -0.16 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xqq s LEU 73 CO 0.13 -0.83 -0.02 -1.14 0.23 0.00 0.00 176.35 174.72 1xqq n ARG 74 N 5.16 0.04 0.00 1.70 0.63 -1.26 -5.06 116.66 117.87 1xqq n ARG 74 Ca 0.04 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1xqq n ARG 74 Cb 0.45 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.07 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 2.97 -1.82 3.01 5.14 0.00 -1.26 -5.34 105.19 107.89 1xqq n GLY 75 Ca -0.01 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93