#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 4.30 0.13 3.17 -0.21 -1.25 0.35 119.66 126.15 1xqq s GLN 2 Ca 0.00 2.08 0.09 0.00 0.02 0.00 0.00 55.36 57.55 1xqq s GLN 2 Cb 0.00 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 1xqq s GLN 2 CO 0.00 -0.50 -0.22 0.96 -2.12 0.00 0.00 175.29 173.41 1xqq s ILE 3 N 1.53 1.93 -0.16 1.08 -4.36 0.36 0.27 121.20 121.84 1xqq s ILE 3 Ca 0.65 -1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 1xqq s ILE 3 Cb -0.36 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 1xqq s ILE 3 CO 0.30 -0.10 0.28 -0.36 0.24 0.00 0.00 174.94 175.30 1xqq s PHE 4 N -1.42 3.46 -0.14 1.37 0.08 -0.09 -1.28 117.98 119.95 1xqq s PHE 4 Ca 0.12 0.58 0.02 0.00 0.12 0.00 0.00 56.93 57.77 1xqq s PHE 4 Cb -0.09 -2.33 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1xqq s PHE 4 CO 0.06 0.24 -0.21 0.08 -0.10 0.00 0.00 175.22 175.29 1xqq s VAL 5 N 0.48 2.18 -0.08 -0.44 1.01 -0.64 -0.85 120.40 122.05 1xqq s VAL 5 Ca 0.16 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1xqq s VAL 5 Cb -0.13 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1xqq s VAL 5 CO 0.03 0.54 -0.23 -0.75 0.00 0.00 0.00 175.10 174.69 1xqq s LYS 6 N 0.81 2.87 0.64 2.72 2.20 -0.90 -1.25 119.74 126.83 1xqq s LYS 6 Ca -0.07 -0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 54.54 1xqq s LYS 6 Cb -0.15 -2.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 1xqq s LYS 6 CO -0.01 0.27 1.05 0.95 -0.36 0.00 0.00 175.35 177.24 1xqq s THR 7 N 0.13 4.02 0.24 3.43 -4.23 -0.04 -0.92 115.64 118.26 1xqq s THR 7 Ca -0.12 0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1xqq s THR 7 Cb -0.16 -3.44 0.21 0.00 1.34 0.00 0.00 72.50 70.45 1xqq s THR 7 CO 0.07 -0.73 1.86 -0.07 -0.54 0.00 0.00 174.62 175.21 1xqq h LEU 8 N -0.14 1.11 -1.54 4.79 3.38 -1.86 -3.13 115.31 117.92 1xqq h LEU 8 Ca -0.45 -0.10 0.31 0.00 0.09 0.00 0.00 57.88 57.73 1xqq h LEU 8 Cb 1.21 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1xqq h LEU 8 CO 0.58 0.89 0.74 0.74 0.09 0.00 0.00 178.44 181.47 1xqq h THR 9 N 1.24 0.45 0.00 0.22 2.02 -1.92 -3.46 112.91 111.46 1xqq h THR 9 Ca 0.31 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1xqq h THR 9 Cb 0.03 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1xqq h THR 9 CO -0.05 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1xqq n GLY 10 N -1.56 0.39 3.88 2.16 0.00 -1.18 -5.16 105.19 103.71 1xqq n GLY 10 Ca 0.27 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N 0.00 3.47 -0.18 1.61 -2.85 -1.26 -4.52 119.74 116.01 1xqq s LYS 11 Ca 0.00 0.64 -0.08 0.00 -1.00 0.00 0.00 55.97 55.53 1xqq s LYS 11 Cb 0.00 -2.10 -0.04 0.00 -2.06 0.00 0.00 37.83 33.62 1xqq s LYS 11 CO 0.00 -0.61 0.10 0.99 0.10 0.00 0.00 175.35 175.93 1xqq s THR 12 N -3.16 5.14 0.02 3.79 2.01 -1.26 -0.86 115.64 121.31 1xqq s THR 12 Ca 0.55 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1xqq s THR 12 Cb -0.11 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1xqq s THR 12 CO 0.53 0.47 -0.11 0.27 -0.69 0.00 0.00 174.62 175.09 1xqq s ILE 13 N 0.18 3.32 -0.18 1.82 -4.36 -0.38 -5.01 121.20 116.59 1xqq s ILE 13 Ca 0.07 -0.93 -0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1xqq s ILE 13 Cb -0.12 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 1xqq s ILE 13 CO -0.00 0.37 0.02 -0.89 0.24 0.00 0.00 174.94 174.68 1xqq s THR 14 N -0.97 4.34 -0.17 8.37 2.01 -1.26 -1.63 115.64 126.33 1xqq s THR 14 Ca 0.16 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1xqq s THR 14 Cb -0.11 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1xqq s THR 14 CO 0.07 0.45 0.00 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 15 N 0.58 3.44 -0.69 4.42 2.01 -0.40 -4.96 118.68 123.09 1xqq s LEU 15 Ca 0.01 -0.07 -0.27 0.00 0.01 0.00 0.00 54.13 53.81 1xqq s LEU 15 Cb -0.14 -1.85 0.03 0.00 0.01 0.00 0.00 46.19 44.24 1xqq s LEU 15 CO 0.02 0.16 1.27 -1.61 1.01 0.00 0.00 176.35 177.20 1xqq s GLU 16 N 0.44 3.27 0.37 1.70 2.02 -1.26 -0.49 118.70 124.75 1xqq s GLU 16 Ca -0.01 -0.07 0.08 0.00 0.02 0.00 0.00 54.97 54.99 1xqq s GLU 16 Cb -0.14 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 1xqq s GLU 16 CO 0.02 -2.02 0.19 0.14 0.02 0.00 0.00 175.26 173.60 1xqq s VAL 17 N 5.59 2.85 0.23 2.63 -7.23 0.16 -4.85 120.40 119.77 1xqq s VAL 17 Ca 0.38 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1xqq s VAL 17 Cb -0.08 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1xqq s VAL 17 CO 0.18 -0.12 0.43 -1.61 -0.31 0.00 0.00 175.10 173.68 1xqq s GLU 18 N -3.90 3.54 0.61 4.82 0.41 -1.26 -0.46 118.70 122.45 1xqq s GLU 18 Ca 0.40 -0.27 0.37 0.00 -0.41 0.00 0.00 54.97 55.06 1xqq s GLU 18 Cb -0.01 -2.79 1.96 0.00 -1.78 0.00 0.00 34.13 31.51 1xqq s GLU 18 CO 0.23 0.35 2.23 -1.35 -0.49 0.00 0.00 175.26 176.23 1xqq h PRO 19 N 1.85 0.00 -0.00 0.39 0.10 -1.96 -1.87 132.00 130.51 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1xqq h PRO 19 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.67 0.02 -0.01 -1.13 0.10 0.00 0.00 178.00 177.65 1xqq n SER 20 N -3.28 0.12 -4.82 -2.05 3.41 -1.26 -2.13 113.62 103.60 1xqq n SER 20 Ca -0.02 -0.68 -0.34 0.00 -0.26 0.00 0.00 58.87 57.57 1xqq n SER 20 Cb 0.15 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xqq s ASP 21 N -2.25 6.97 0.48 4.04 2.15 -0.71 -4.86 116.67 122.50 1xqq s ASP 21 Ca 0.39 1.60 -0.02 0.00 0.43 0.00 0.00 52.55 54.95 1xqq s ASP 21 Cb 0.21 -2.50 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1xqq s ASP 21 CO 0.41 -0.25 0.73 0.42 -0.17 0.00 0.00 175.17 176.31 1xqq s THR 22 N -2.00 4.01 0.26 1.71 -4.23 -1.26 -1.55 115.64 112.57 1xqq s THR 22 Ca 0.57 -0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1xqq s THR 22 Cb -0.11 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1xqq s THR 22 CO 0.16 -0.41 1.58 0.40 -0.54 0.00 0.00 174.62 175.82 1xqq h ILE 23 N 0.26 1.43 -0.37 2.99 1.08 -1.02 -2.56 117.51 119.32 1xqq h ILE 23 Ca -0.46 -2.11 0.08 0.00 -0.39 0.00 0.00 64.86 61.97 1xqq h ILE 23 Cb 1.25 2.12 -0.08 0.00 -3.07 0.00 0.00 36.82 37.05 1xqq h ILE 23 CO 0.58 0.61 -0.15 -0.08 -0.69 0.00 0.00 178.15 178.43 1xqq h GLU 24 N 0.05 -0.07 0.00 2.37 4.81 -1.10 -1.13 114.58 119.51 1xqq h GLU 24 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xqq h GLU 24 Cb 1.12 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1xqq h GLU 24 CO 0.09 -0.05 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.39 1xqq h ASN 25 N -0.08 0.00 -0.14 1.04 2.35 -1.81 0.14 115.58 117.08 1xqq h ASN 25 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1xqq h ASN 25 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1xqq h ASN 25 CO -0.42 0.02 0.01 0.58 -1.65 0.00 0.00 177.43 175.97 1xqq h VAL 26 N 0.00 1.23 -0.00 2.81 2.07 -0.96 -2.36 116.25 119.04 1xqq h VAL 26 Ca -0.00 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1xqq h VAL 26 Cb 0.03 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1xqq h VAL 26 CO 0.00 0.22 -0.52 0.11 0.02 0.00 0.00 177.57 177.40 1xqq h LYS 27 N -0.00 0.00 -0.19 1.57 1.57 -0.50 -2.92 116.57 116.10 1xqq h LYS 27 Ca 0.04 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1xqq h LYS 27 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xqq h LYS 27 CO 0.00 0.53 -0.41 0.00 -0.57 0.00 0.00 179.45 179.01 1xqq h ALA 28 N 1.47 0.94 0.00 3.86 0.00 -0.62 -1.37 119.26 123.55 1xqq h ALA 28 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1xqq h ALA 28 Cb 0.93 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1xqq h ALA 28 CO 0.07 0.63 -0.41 -0.22 0.00 0.00 0.00 179.25 179.32 1xqq h LYS 29 N 0.37 0.00 0.00 0.00 3.64 -1.32 -2.00 116.57 117.26 1xqq h LYS 29 Ca 0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1xqq h LYS 29 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1xqq h LYS 29 CO 0.07 0.41 -0.42 0.82 -2.27 0.00 0.00 179.45 178.06 1xqq h ILE 30 N 0.00 0.77 -0.33 2.00 2.04 -1.31 -0.94 117.51 119.74 1xqq h ILE 30 Ca -0.00 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 1xqq h ILE 30 Cb 0.84 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1xqq h ILE 30 CO 0.05 0.41 0.16 -0.61 0.00 0.00 0.00 178.15 178.16 1xqq h GLN 31 N 0.00 0.48 -0.68 2.37 4.15 -0.53 -1.80 115.11 119.10 1xqq h GLN 31 Ca -0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1xqq h GLN 31 Cb 1.23 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 1xqq h GLN 31 CO 0.05 0.44 0.32 -0.44 -1.93 0.00 0.00 178.83 177.28 1xqq h ASP 32 N 0.40 0.90 0.07 -0.69 3.32 -1.39 -1.97 116.42 117.06 1xqq h ASP 32 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1xqq h ASP 32 Cb 0.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xqq h ASP 32 CO -0.01 0.78 -0.03 0.50 -1.72 0.00 0.00 179.24 178.76 1xqq h LYS 33 N 0.95 -0.09 0.00 3.56 3.64 -0.88 -3.40 116.57 120.35 1xqq h LYS 33 Ca 0.23 0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.33 1xqq h LYS 33 Cb 0.13 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1xqq h LYS 33 CO -0.03 -0.06 -1.71 0.39 -2.27 0.00 0.00 179.45 175.77 1xqq n GLU 34 N -2.67 0.63 0.00 1.90 -0.58 -0.70 -5.00 120.64 114.22 1xqq n GLU 34 Ca -0.01 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1xqq n GLU 34 Cb 0.04 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 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 1.55 0.98 3.23 0.62 0.00 -0.74 -5.05 105.19 105.77 1xqq n GLY 35 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.90 2.81 0.39 -0.61 1.01 -1.23 -4.97 121.20 116.69 1xqq s ILE 36 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 1xqq s ILE 36 Cb 0.00 -2.26 -0.11 0.00 0.01 0.00 0.00 42.46 40.10 1xqq s ILE 36 CO 0.00 0.45 1.43 -2.65 0.00 0.00 0.00 174.94 174.16 1xqq n PRO 37 N 4.72 2.46 0.26 2.79 -0.02 -1.26 -3.56 135.00 140.39 1xqq n PRO 37 Ca -0.19 0.86 0.17 0.00 -2.02 0.00 0.00 63.50 62.33 1xqq n PRO 37 Cb 0.50 -2.58 0.93 0.00 -0.02 0.00 0.00 33.50 32.33 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xqq h PRO 38 N 2.71 0.00 0.04 0.52 0.11 -1.95 -2.46 132.00 130.97 1xqq h PRO 38 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 1xqq h PRO 38 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.63 0.00 -1.06 0.38 -0.21 0.00 0.00 178.00 177.74 1xqq h ASP 39 N 0.00 0.66 0.13 -2.05 3.04 -1.98 -3.19 116.42 113.02 1xqq h ASP 39 Ca 0.00 -0.56 -0.00 0.00 -3.24 0.00 0.00 57.03 53.23 1xqq h ASP 39 Cb 0.06 -0.20 -0.00 0.00 -1.04 0.00 0.00 39.33 38.14 1xqq h ASP 39 CO 0.00 1.37 -0.01 1.56 -2.04 0.00 0.00 179.24 180.12 1xqq h GLN 40 N 0.25 0.00 -5.45 4.15 4.20 -1.81 -3.43 115.11 113.01 1xqq h GLN 40 Ca -0.12 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.96 1xqq h GLN 40 Cb 1.72 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 29.35 1xqq h GLN 40 CO 0.19 0.01 0.48 -0.65 -0.67 0.00 0.00 178.83 178.19 1xqq s GLN 41 N -4.23 3.15 -0.44 1.46 -0.21 -1.21 -3.74 119.66 114.45 1xqq s GLN 41 Ca -0.04 -0.74 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 1xqq s GLN 41 Cb 0.13 -4.18 0.05 0.00 1.00 0.00 0.00 33.01 30.01 1xqq s GLN 41 CO 0.47 -1.68 0.34 0.50 -2.12 0.00 0.00 175.29 172.80 1xqq s ARG 42 N 3.84 2.94 -0.27 2.91 3.52 -0.41 -4.96 118.95 126.52 1xqq s ARG 42 Ca 0.23 -1.21 -0.08 0.00 -0.13 0.00 0.00 55.73 54.54 1xqq s ARG 42 Cb -0.17 -4.02 -0.02 0.00 -1.56 0.00 0.00 34.95 29.18 1xqq s ARG 42 CO 0.12 -0.89 0.09 -1.17 -0.81 0.00 0.00 175.30 172.63 1xqq s LEU 43 N 1.64 3.60 -0.18 -0.88 2.96 -1.26 -0.23 118.68 124.33 1xqq s LEU 43 Ca 0.04 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1xqq s LEU 43 Cb -0.22 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1xqq s LEU 43 CO 0.08 -0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.33 1xqq s ILE 44 N 1.60 3.38 -0.70 6.68 -1.09 0.20 -3.15 121.20 128.12 1xqq s ILE 44 Ca 0.06 -0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1xqq s ILE 44 Cb -0.16 -2.50 0.18 0.00 -1.58 0.00 0.00 42.46 38.40 1xqq s ILE 44 CO 0.04 0.46 0.52 0.12 -1.23 0.00 0.00 174.94 174.86 1xqq s PHE 45 N 0.97 3.52 0.00 3.97 5.36 -0.27 -0.96 117.98 130.57 1xqq s PHE 45 Ca -0.00 -2.86 0.00 0.00 -0.96 0.00 0.00 56.93 53.10 1xqq s PHE 45 Cb -0.15 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1xqq s PHE 45 CO 0.00 -0.79 0.00 0.00 -1.46 0.00 0.00 175.22 172.97 1xqq n ALA 46 N 3.06 0.00 0.48 11.12 0.00 -1.26 -0.46 120.51 133.45 1xqq n ALA 46 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1xqq n ALA 46 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 3.78 0.00 0.00 -1.26 -5.01 105.19 102.59 1xqq n GLY 47 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.13 4.29 -0.27 1.61 1.02 0.39 -5.06 119.74 119.60 1xqq s LYS 48 Ca 0.03 0.77 -0.07 0.00 0.02 0.00 0.00 55.97 56.73 1xqq s LYS 48 Cb 0.08 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1xqq s LYS 48 CO 0.46 0.49 0.07 -1.14 -0.92 0.00 0.00 175.35 174.31 1xqq s GLN 49 N -0.61 3.41 0.67 1.68 0.74 -1.26 -1.11 119.66 123.18 1xqq s GLN 49 Ca 0.31 -0.64 -0.11 0.00 0.05 0.00 0.00 55.36 54.97 1xqq s GLN 49 Cb -0.19 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.59 1xqq s GLN 49 CO 0.19 -0.29 1.06 -0.51 -0.55 0.00 0.00 175.29 175.18 1xqq s LEU 50 N 1.56 3.02 0.34 3.68 1.43 -1.19 -5.03 118.68 122.50 1xqq s LEU 50 Ca 0.05 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 1xqq s LEU 50 Cb -0.16 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1xqq s LEU 50 CO 0.03 -1.19 0.28 -1.61 0.23 0.00 0.00 176.35 174.08 1xqq s GLU 51 N -5.28 2.67 -0.15 1.70 2.02 -1.26 -4.93 118.70 113.47 1xqq s GLU 51 Ca 0.57 -1.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.05 1xqq s GLU 51 Cb -0.11 -2.43 -0.14 0.00 0.10 0.00 0.00 34.13 31.55 1xqq s GLU 51 CO 0.52 0.08 0.27 -0.44 0.02 0.00 0.00 175.26 175.70 1xqq h ASP 52 N 1.27 0.00 -1.40 -0.19 3.32 -1.98 -3.40 116.42 114.04 1xqq h ASP 52 Ca -0.44 -0.45 -0.61 0.00 0.02 0.00 0.00 57.03 55.55 1xqq h ASP 52 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 1xqq h ASP 52 CO 0.59 0.94 0.72 0.61 -1.72 0.00 0.00 179.24 180.39 1xqq n GLY 53 N 1.61 4.81 3.18 2.75 0.00 -1.26 -0.54 105.19 115.74 1xqq n GLY 53 Ca -0.12 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.51 0.85 0.48 1.61 0.52 -1.26 -4.98 118.95 113.66 1xqq s ARG 54 Ca 0.56 -1.19 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 1xqq s ARG 54 Cb 0.39 -0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 1xqq s ARG 54 CO -0.28 0.07 0.81 0.95 0.02 0.00 0.00 175.30 176.87 1xqq s THR 55 N -2.62 4.85 0.32 0.02 -4.23 -1.26 -2.34 115.64 110.39 1xqq s THR 55 Ca 0.06 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1xqq s THR 55 Cb -0.02 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 70.22 1xqq s THR 55 CO -0.01 -0.80 1.95 -0.07 -0.54 0.00 0.00 174.62 175.15 1xqq h LEU 56 N 0.44 0.76 -0.79 4.79 4.07 -1.30 -2.78 115.31 120.51 1xqq h LEU 56 Ca -0.47 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.35 1xqq h LEU 56 Cb 1.20 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1xqq h LEU 56 CO 0.62 0.62 -0.02 -1.28 -1.08 0.00 0.00 178.44 177.30 1xqq h SER 57 N 0.86 0.87 0.37 -0.43 0.87 -1.67 0.12 113.55 114.54 1xqq h SER 57 Ca 0.22 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1xqq h SER 57 Cb 0.03 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1xqq h SER 57 CO -0.04 0.95 -0.18 -0.78 -0.53 0.00 0.00 176.83 176.25 1xqq h ASP 58 N 0.83 -0.42 0.37 6.23 3.58 -1.80 -2.74 116.42 122.46 1xqq h ASP 58 Ca 0.15 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1xqq h ASP 58 Cb 0.52 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1xqq h ASP 58 CO 0.03 -0.17 0.00 1.88 -2.88 0.00 0.00 179.24 178.10 1xqq h TYR 59 N -0.67 0.00 -3.58 0.28 0.05 -1.56 -3.47 116.97 108.02 1xqq h TYR 59 Ca -0.05 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.54 1xqq h TYR 59 Cb 0.48 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.29 1xqq h TYR 59 CO -0.01 0.00 -0.36 0.09 -1.05 0.00 0.00 178.16 176.83 1xqq n ASN 60 N -2.77 -3.48 -4.59 3.88 3.02 -0.82 -5.04 115.26 105.47 1xqq n ASN 60 Ca -0.01 -0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 53.83 1xqq n ASN 60 Cb 0.15 -2.81 -0.04 0.00 -0.61 0.00 0.00 39.78 36.47 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 -3.17 4.51 0.87 2.41 1.01 0.34 -5.03 121.20 122.14 1xqq s ILE 61 Ca 0.20 1.04 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1xqq s ILE 61 Cb -0.09 -4.39 0.19 0.00 0.01 0.00 0.00 42.46 38.18 1xqq s ILE 61 CO 0.37 -0.68 1.18 0.00 0.00 0.00 0.00 174.94 175.81 1xqq n GLN 62 N 7.01 -0.93 -2.03 2.79 6.02 -1.26 -4.56 117.38 124.43 1xqq n GLN 62 Ca 0.07 -2.12 -0.34 0.00 -0.01 0.00 0.00 57.00 54.60 1xqq n GLN 62 Cb 0.48 -1.12 0.02 0.00 1.02 0.00 0.00 30.24 30.64 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 -5.56 3.11 -1.87 -1.09 0.00 -1.26 -3.70 119.74 109.37 1xqq s LYS 63 Ca 0.69 1.49 0.00 0.00 0.00 0.00 0.00 55.97 58.16 1xqq s LYS 63 Cb -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 37.83 35.82 1xqq s LYS 63 CO 0.48 -1.02 0.00 0.39 0.00 0.00 0.00 175.35 175.20 1xqq n GLU 64 N -1.83 -1.48 -3.35 1.78 1.02 0.14 -4.98 120.64 111.95 1xqq n GLU 64 Ca 0.11 1.04 -0.38 0.00 -0.02 0.00 0.00 57.16 57.92 1xqq n GLU 64 Cb 0.51 -5.44 -0.06 0.00 -0.02 0.00 0.00 31.44 26.44 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.46 6.95 -0.75 1.62 0.15 -1.24 -4.70 113.70 113.27 1xqq s SER 65 Ca 0.00 1.15 -0.16 0.00 0.70 0.00 0.00 55.95 57.64 1xqq s SER 65 Cb 0.00 -2.32 0.16 0.00 -1.71 0.00 0.00 66.02 62.16 1xqq s SER 65 CO 0.00 0.25 0.78 -0.89 1.20 0.00 0.00 173.24 174.58 1xqq s THR 66 N -1.18 5.22 0.67 6.45 2.01 -1.26 -0.91 115.64 126.62 1xqq s THR 66 Ca 0.30 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.35 1xqq s THR 66 Cb -0.18 -4.51 -0.01 0.00 0.01 0.00 0.00 72.50 67.81 1xqq s THR 66 CO 0.18 -1.11 1.06 -0.76 -0.69 0.00 0.00 174.62 173.29 1xqq s LEU 67 N 1.40 3.08 -0.12 4.42 1.43 -0.03 -4.86 118.68 124.00 1xqq s LEU 67 Ca 0.17 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.58 1xqq s LEU 67 Cb -0.15 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 1xqq s LEU 67 CO -0.04 -1.15 0.05 -1.00 0.23 0.00 0.00 176.35 174.45 1xqq s HIS 68 N -3.21 3.30 -0.28 0.29 3.76 -0.13 -2.12 115.29 116.89 1xqq s HIS 68 Ca 0.57 0.24 -0.16 0.00 -0.15 0.00 0.00 55.06 55.56 1xqq s HIS 68 Cb -0.12 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 1xqq s HIS 68 CO 0.54 0.45 0.41 -1.17 -0.85 0.00 0.00 174.74 174.11 1xqq s LEU 69 N -0.58 4.08 -0.25 0.89 2.96 -0.10 -0.63 118.68 125.04 1xqq s LEU 69 Ca 0.11 0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1xqq s LEU 69 Cb -0.12 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1xqq s LEU 69 CO 0.02 -0.23 0.10 -0.69 -1.32 0.00 0.00 176.35 174.24 1xqq s VAL 70 N 2.13 4.62 0.72 1.68 1.01 0.68 -2.77 120.40 128.47 1xqq s VAL 70 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1xqq s VAL 70 Cb -0.16 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.18 1xqq s VAL 70 CO 0.10 0.32 0.99 -0.76 0.00 0.00 0.00 175.10 175.75 1xqq s LEU 71 N 1.59 2.98 0.35 3.92 1.43 -1.26 -1.29 118.68 126.39 1xqq s LEU 71 Ca 0.06 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1xqq s LEU 71 Cb -0.15 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1xqq s LEU 71 CO 0.06 -1.85 0.77 0.00 0.23 0.00 0.00 176.35 175.56 1xqq s ARG 72 N -5.12 2.07 0.00 1.70 1.70 -1.25 -4.93 118.95 113.13 1xqq s ARG 72 Ca 0.66 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 1xqq s ARG 72 Cb -0.05 0.62 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 1xqq s ARG 72 CO 0.44 -0.96 0.00 1.28 -1.08 0.00 0.00 175.30 174.98 1xqq n LEU 73 N -0.51 0.00 -0.03 -1.89 4.77 -1.26 -4.98 117.00 113.10 1xqq n LEU 73 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1xqq n LEU 73 Cb 0.60 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1xqq n LEU 73 CO 0.23 -0.50 -0.06 0.03 -1.33 0.00 0.00 177.39 175.76 1xqq h ARG 74 N 0.00 0.00 -3.63 3.23 3.08 -2.02 -3.43 114.38 111.61 1xqq h ARG 74 Ca 0.00 0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.26 1xqq h ARG 74 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.80 1xqq h ARG 74 CO 0.00 0.00 0.82 0.41 -1.07 0.00 0.00 179.97 180.13 1xqq n GLY 75 N 1.81 4.33 0.00 0.04 0.00 -1.26 -5.19 105.19 104.92 1xqq n GLY 75 Ca -0.01 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93