#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 4.27 0.27 2.12 -0.21 -1.26 0.38 119.66 125.22 1xqq s GLN 2 Ca 0.00 0.90 0.07 0.00 0.02 0.00 0.00 55.36 56.35 1xqq s GLN 2 Cb 0.00 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 1xqq s GLN 2 CO 0.00 -0.31 0.21 0.96 -2.12 0.00 0.00 175.29 174.03 1xqq s ILE 3 N 2.10 4.21 -0.11 1.08 -4.36 -0.78 -0.13 121.20 123.21 1xqq s ILE 3 Ca 0.35 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1xqq s ILE 3 Cb -0.16 -3.33 -0.02 0.00 1.25 0.00 0.00 42.46 40.20 1xqq s ILE 3 CO 0.12 -0.32 -0.14 -0.36 0.24 0.00 0.00 174.94 174.48 1xqq s PHE 4 N -2.18 2.79 -0.35 1.37 0.08 0.14 -2.25 117.98 117.59 1xqq s PHE 4 Ca 0.34 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1xqq s PHE 4 Cb -0.07 -1.80 0.09 0.00 -0.57 0.00 0.00 43.02 40.67 1xqq s PHE 4 CO 0.25 -0.14 0.07 0.08 -0.10 0.00 0.00 175.22 175.38 1xqq s VAL 5 N 0.15 2.70 -0.17 -0.44 1.01 0.45 -0.82 120.40 123.28 1xqq s VAL 5 Ca -0.07 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 59.74 1xqq s VAL 5 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1xqq s VAL 5 CO 0.05 -0.48 0.36 -0.75 0.00 0.00 0.00 175.10 174.27 1xqq s LYS 6 N 1.06 4.25 0.69 2.72 2.20 0.09 -0.71 119.74 130.03 1xqq s LYS 6 Ca 0.05 0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.81 1xqq s LYS 6 Cb -0.20 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1xqq s LYS 6 CO -0.05 0.13 0.96 0.95 -0.36 0.00 0.00 175.35 176.98 1xqq s THR 7 N 0.77 2.32 -0.09 3.43 -4.23 -0.48 -0.76 115.64 116.60 1xqq s THR 7 Ca 0.19 -0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 59.96 1xqq s THR 7 Cb -0.14 -2.85 -0.26 0.00 1.34 0.00 0.00 72.50 70.59 1xqq s THR 7 CO 0.06 0.00 0.90 -0.07 -0.54 0.00 0.00 174.62 174.97 1xqq h LEU 8 N -0.46 0.13 -0.16 4.79 3.38 -1.90 -3.38 115.31 117.72 1xqq h LEU 8 Ca -0.41 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 56.63 1xqq h LEU 8 Cb 1.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1xqq h LEU 8 CO 0.50 1.00 -0.05 0.71 0.09 0.00 0.00 178.44 180.69 1xqq h THR 9 N -0.73 1.30 0.00 0.22 1.35 -1.96 -3.46 112.91 109.63 1xqq h THR 9 Ca -0.03 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1xqq h THR 9 Cb 1.05 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1xqq h THR 9 CO 0.03 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1xqq n GLY 10 N -0.09 0.00 3.39 5.82 0.00 -1.26 -5.15 105.19 107.90 1xqq n GLY 10 Ca -0.05 0.00 -0.34 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 3.50 -0.32 1.61 2.20 -1.26 -4.96 119.74 120.50 1xqq s LYS 11 Ca 0.00 -0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 54.93 1xqq s LYS 11 Cb 0.00 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1xqq s LYS 11 CO 0.00 0.02 0.14 0.99 -0.36 0.00 0.00 175.35 176.14 1xqq s THR 12 N 0.94 4.41 -0.24 3.43 2.01 -1.26 -1.38 115.64 123.54 1xqq s THR 12 Ca -0.00 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 1xqq s THR 12 Cb -0.15 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1xqq s THR 12 CO 0.01 -0.00 0.38 -0.63 -0.69 0.00 0.00 174.62 173.68 1xqq s ILE 13 N 1.56 5.19 -0.42 1.82 1.01 0.11 -4.87 121.20 125.60 1xqq s ILE 13 Ca 0.03 0.61 -0.21 0.00 0.00 0.00 0.00 60.65 61.08 1xqq s ILE 13 Cb -0.18 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1xqq s ILE 13 CO 0.05 0.20 0.65 -0.89 0.00 0.00 0.00 174.94 174.95 1xqq s THR 14 N 1.76 4.83 -0.11 2.92 2.01 -1.26 -0.41 115.64 125.37 1xqq s THR 14 Ca 0.16 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 1xqq s THR 14 Cb -0.15 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1xqq s THR 14 CO 0.09 -0.55 0.01 -0.76 -0.69 0.00 0.00 174.62 172.72 1xqq s LEU 15 N 2.82 3.62 -0.33 4.42 1.43 -0.95 -5.01 118.68 124.68 1xqq s LEU 15 Ca 0.23 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1xqq s LEU 15 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1xqq s LEU 15 CO 0.18 0.31 0.51 -1.61 0.23 0.00 0.00 176.35 175.97 1xqq s GLU 16 N -0.49 3.72 0.38 1.70 2.02 -1.26 -1.86 118.70 122.90 1xqq s GLU 16 Ca 0.09 -0.07 0.08 0.00 0.02 0.00 0.00 54.97 55.09 1xqq s GLU 16 Cb -0.12 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 1xqq s GLU 16 CO 0.02 -0.58 0.22 0.14 0.02 0.00 0.00 175.26 175.08 1xqq s VAL 17 N 2.36 2.77 0.22 2.63 -7.23 0.16 -4.87 120.40 116.45 1xqq s VAL 17 Ca 0.19 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.83 1xqq s VAL 17 Cb -0.15 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1xqq s VAL 17 CO 0.12 -0.09 0.18 -1.61 -0.31 0.00 0.00 175.10 173.40 1xqq s GLU 18 N -3.94 2.93 0.37 4.82 0.41 -1.26 0.30 118.70 122.33 1xqq s GLU 18 Ca 0.41 -0.99 0.19 0.00 -0.41 0.00 0.00 54.97 54.17 1xqq s GLU 18 Cb -0.01 -2.60 0.56 0.00 -1.78 0.00 0.00 34.13 30.30 1xqq s GLU 18 CO 0.24 0.43 1.67 -1.00 -0.49 0.00 0.00 175.26 176.11 1xqq h PRO 19 N 1.76 0.00 0.00 0.39 0.13 -1.95 -2.03 132.00 130.30 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xqq h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.61 0.37 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 1xqq n SER 20 N -3.40 0.22 -4.79 1.44 3.41 -1.26 -0.30 113.62 108.95 1xqq n SER 20 Ca 0.01 0.54 -0.32 0.00 -0.26 0.00 0.00 58.87 58.83 1xqq n SER 20 Cb 0.55 -0.59 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -3.41 5.15 0.40 4.04 1.11 -0.76 -4.67 116.67 118.52 1xqq s ASP 21 Ca 0.10 1.78 -0.00 0.00 0.18 0.00 0.00 52.55 54.60 1xqq s ASP 21 Cb 0.13 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.58 1xqq s ASP 21 CO 0.43 -1.60 0.62 0.42 1.18 0.00 0.00 175.17 176.22 1xqq s THR 22 N -2.78 4.73 -1.14 -1.27 -4.23 -1.26 -1.76 115.64 107.92 1xqq s THR 22 Ca 0.61 -0.38 0.28 0.00 -1.18 0.00 0.00 61.69 61.03 1xqq s THR 22 Cb -0.16 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 70.19 1xqq s THR 22 CO 0.50 -0.53 1.82 -0.38 -0.54 0.00 0.00 174.62 175.49 1xqq n ILE 23 N -1.95 0.00 0.21 2.99 5.41 -0.95 -3.36 119.36 121.71 1xqq n ILE 23 Ca -0.02 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.57 1xqq n ILE 23 Cb 0.56 -0.28 -0.07 0.00 -0.71 0.00 0.00 39.64 39.14 1xqq n ILE 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xqq h GLU 24 N 0.08 -0.57 0.00 0.38 4.81 -1.41 -2.27 114.58 115.60 1xqq h GLU 24 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xqq h GLU 24 Cb 0.46 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1xqq h GLU 24 CO 0.00 -0.38 0.00 -0.91 -0.73 0.00 0.00 179.01 176.99 1xqq h ASN 25 N -0.60 0.00 -0.05 1.04 4.21 -1.88 -1.13 115.58 117.18 1xqq h ASN 25 Ca -0.02 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.34 1xqq h ASN 25 Cb 0.52 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.73 1xqq h ASN 25 CO -0.01 0.00 -0.55 0.58 -1.29 0.00 0.00 177.43 176.15 1xqq h VAL 26 N 0.00 1.40 -0.13 2.81 2.07 -1.43 -0.93 116.25 120.04 1xqq h VAL 26 Ca 0.00 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.48 1xqq h VAL 26 Cb 0.05 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1xqq h VAL 26 CO 0.00 0.58 -0.30 0.11 0.02 0.00 0.00 177.57 177.98 1xqq h LYS 27 N 0.00 0.24 0.00 1.57 1.57 -0.90 -2.72 116.57 116.33 1xqq h LYS 27 Ca -0.06 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1xqq h LYS 27 Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1xqq h LYS 27 CO 0.11 0.52 -0.39 0.00 -0.57 0.00 0.00 179.45 179.13 1xqq h ALA 28 N 1.48 0.88 -0.01 3.86 0.00 -1.24 -2.89 119.26 121.34 1xqq h ALA 28 Ca 0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1xqq h ALA 28 Cb 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xqq h ALA 28 CO 0.05 0.48 -0.71 0.87 0.00 0.00 0.00 179.25 179.94 1xqq h LYS 29 N 0.00 0.05 -0.18 0.00 1.57 -0.87 0.14 116.57 117.27 1xqq h LYS 29 Ca -0.00 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 29 Cb 1.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1xqq h LYS 29 CO 0.05 0.74 -0.45 0.82 -0.57 0.00 0.00 179.45 180.04 1xqq h ILE 30 N 0.03 1.32 -0.45 1.86 1.08 -1.46 -0.61 117.51 119.27 1xqq h ILE 30 Ca -0.01 -1.64 -0.05 0.00 -0.39 0.00 0.00 64.86 62.77 1xqq h ILE 30 Cb 1.26 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 1xqq h ILE 30 CO 0.10 0.50 0.08 -0.61 -0.69 0.00 0.00 178.15 177.53 1xqq h GLN 31 N 0.36 0.74 0.59 2.37 4.15 -0.83 0.14 115.11 122.62 1xqq h GLN 31 Ca 0.02 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 1xqq h GLN 31 Cb 0.93 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.54 1xqq h GLN 31 CO 0.08 0.76 -0.28 0.22 -1.93 0.00 0.00 178.83 177.68 1xqq h ASP 32 N 0.60 -0.67 0.32 -0.69 3.58 -0.49 -2.51 116.42 116.56 1xqq h ASP 32 Ca 0.14 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1xqq h ASP 32 Cb 0.38 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1xqq h ASP 32 CO 0.01 -0.38 -0.25 0.11 -2.88 0.00 0.00 179.24 175.86 1xqq h LYS 33 N -0.94 -0.53 0.00 0.28 1.79 -1.19 -3.40 116.57 112.58 1xqq h LYS 33 Ca -0.08 0.04 -0.36 0.00 -2.18 0.00 0.00 60.65 58.07 1xqq h LYS 33 Cb 0.65 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.36 1xqq h LYS 33 CO 0.13 -0.35 -2.36 0.39 -1.08 0.00 0.00 179.45 176.18 1xqq n GLU 34 N -3.83 0.72 0.00 3.15 -0.58 0.00 -5.00 120.64 115.10 1xqq n GLU 34 Ca -0.07 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1xqq n GLU 34 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 2.13 0.96 3.56 0.62 0.00 -0.94 -5.00 105.19 106.52 1xqq n GLY 35 Ca -0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 4.71 0.65 -0.61 1.01 -1.18 -4.83 121.20 118.95 1xqq s ILE 36 Ca 0.00 0.62 -0.10 0.00 0.00 0.00 0.00 60.65 61.17 1xqq s ILE 36 Cb 0.00 -4.25 0.15 0.00 0.01 0.00 0.00 42.46 38.37 1xqq s ILE 36 CO 0.00 -0.56 0.88 -0.81 0.00 0.00 0.00 174.94 174.45 1xqq n PRO 37 N 6.52 -0.75 0.16 2.79 -0.04 -1.26 -2.07 135.00 140.35 1xqq n PRO 37 Ca 0.02 -1.47 0.13 0.00 -0.04 0.00 0.00 63.50 62.14 1xqq n PRO 37 Cb 0.48 -0.87 0.46 0.00 -0.04 0.00 0.00 33.50 33.53 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1xqq h PRO 38 N 0.00 0.00 0.00 0.54 0.11 -1.93 -3.29 132.00 127.44 1xqq h PRO 38 Ca -0.29 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1xqq h PRO 38 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1xqq h PRO 38 CO 0.21 0.00 -0.40 -0.44 -0.21 0.00 0.00 178.00 177.17 1xqq h ASP 39 N 0.00 0.00 0.05 -2.05 5.19 -1.97 -3.35 116.42 114.29 1xqq h ASP 39 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1xqq h ASP 39 Cb 0.59 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 1xqq h ASP 39 CO 0.00 0.40 -2.34 0.00 -3.12 0.00 0.00 179.24 174.17 1xqq n GLN 40 N -3.22 0.67 -2.77 3.56 6.02 -1.24 -4.90 117.38 115.51 1xqq n GLN 40 Ca 0.02 0.11 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 1xqq n GLN 40 Cb 0.68 -1.56 0.02 0.00 1.02 0.00 0.00 30.24 30.40 1xqq n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1xqq s GLN 41 N -2.52 2.86 -0.00 -1.09 -2.07 -1.24 -0.96 119.66 114.65 1xqq s GLN 41 Ca -0.22 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 1xqq s GLN 41 Cb 0.08 -2.48 0.00 0.00 -1.09 0.00 0.00 33.01 29.52 1xqq s GLN 41 CO 0.72 -0.50 -0.01 -0.98 -1.32 0.00 0.00 175.29 173.20 1xqq s ARG 42 N -4.71 0.08 -0.16 9.60 1.70 -0.21 -4.79 118.95 120.48 1xqq s ARG 42 Ca 0.52 -0.02 -0.06 0.00 -0.47 0.00 0.00 55.73 55.70 1xqq s ARG 42 Cb -0.10 -0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.13 1xqq s ARG 42 CO 0.39 0.01 0.05 -0.51 -1.08 0.00 0.00 175.30 174.16 1xqq s LEU 43 N 0.08 3.80 0.01 -1.89 1.43 -1.26 -2.19 118.68 118.66 1xqq s LEU 43 Ca -0.01 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1xqq s LEU 43 Cb -0.02 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1xqq s LEU 43 CO -0.00 0.24 -0.16 -0.63 0.23 0.00 0.00 176.35 176.03 1xqq s ILE 44 N -0.02 1.26 -0.24 -0.59 1.01 -0.85 -1.17 121.20 120.61 1xqq s ILE 44 Ca 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1xqq s ILE 44 Cb -0.12 -1.08 0.12 0.00 0.01 0.00 0.00 42.46 41.39 1xqq s ILE 44 CO 0.01 0.25 0.32 0.12 0.00 0.00 0.00 174.94 175.63 1xqq s PHE 45 N -0.54 -0.61 0.00 3.97 5.36 -0.80 0.49 117.98 125.85 1xqq s PHE 45 Ca 0.05 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1xqq s PHE 45 Cb -0.07 -0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.44 1xqq s PHE 45 CO 0.00 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.05 1xqq n ALA 46 N 5.34 0.00 0.10 11.12 0.00 -1.26 -3.28 120.51 132.54 1xqq n ALA 46 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 1xqq n ALA 46 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.80 1xqq n ALA 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xqq h GLY 47 N 0.00 0.38 -1.75 0.00 0.00 -2.02 -3.49 103.07 96.20 1xqq h GLY 47 Ca 0.00 -0.98 -0.59 0.00 0.00 0.00 0.00 47.33 45.76 1xqq h GLY 47 CO 0.00 0.86 -0.53 0.54 0.00 0.00 0.00 176.54 177.41 1xqq s LYS 48 N -2.63 2.14 0.05 4.80 1.02 -1.20 -5.12 119.74 118.79 1xqq s LYS 48 Ca -0.07 -1.96 -0.05 0.00 0.02 0.00 0.00 55.97 53.91 1xqq s LYS 48 Cb 0.06 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1xqq s LYS 48 CO 0.89 -0.11 0.29 -1.14 -0.92 0.00 0.00 175.35 174.36 1xqq s GLN 49 N -3.85 3.58 -0.21 1.68 0.74 -1.26 -1.90 119.66 118.44 1xqq s GLN 49 Ca 0.38 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.57 1xqq s GLN 49 Cb 0.06 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 1xqq s GLN 49 CO 0.20 0.60 0.14 -0.51 -0.55 0.00 0.00 175.29 175.17 1xqq s LEU 50 N -2.07 4.19 0.56 3.68 1.43 -0.32 -4.94 118.68 121.21 1xqq s LEU 50 Ca 0.32 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.46 1xqq s LEU 50 Cb -0.13 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1xqq s LEU 50 CO 0.20 0.15 1.04 -1.61 0.23 0.00 0.00 176.35 176.36 1xqq s GLU 51 N 0.53 3.51 -0.10 1.70 0.41 -1.26 -4.70 118.70 118.79 1xqq s GLU 51 Ca 0.08 1.19 -0.03 0.00 -0.41 0.00 0.00 54.97 55.80 1xqq s GLU 51 Cb -0.12 -2.06 -0.01 0.00 -1.78 0.00 0.00 34.13 30.16 1xqq s GLU 51 CO -0.00 -0.66 -0.07 -0.44 -0.49 0.00 0.00 175.26 173.61 1xqq h ASP 52 N 0.72 0.00 -1.22 -0.19 5.19 -1.97 -3.36 116.42 115.58 1xqq h ASP 52 Ca -0.47 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.21 1xqq h ASP 52 Cb 1.21 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.59 1xqq h ASP 52 CO 0.58 0.51 2.17 0.61 -3.12 0.00 0.00 179.24 179.99 1xqq n GLY 53 N 1.74 5.22 3.03 2.75 0.00 -1.26 -1.13 105.19 115.53 1xqq n GLY 53 Ca -0.03 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.42 0.43 0.46 1.61 0.52 -1.26 -5.01 118.95 114.28 1xqq s ARG 54 Ca 0.54 -0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1xqq s ARG 54 Cb 0.20 0.15 -0.07 0.00 0.52 0.00 0.00 34.95 35.75 1xqq s ARG 54 CO -0.11 -0.08 0.88 0.95 0.02 0.00 0.00 175.30 176.96 1xqq s THR 55 N -2.21 4.65 0.22 0.02 -4.23 -1.26 -2.23 115.64 110.61 1xqq s THR 55 Ca -0.09 0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1xqq s THR 55 Cb -0.04 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 55 CO -0.04 -0.60 1.76 -0.07 -0.54 0.00 0.00 174.62 175.13 1xqq h LEU 56 N 1.09 1.05 -1.26 4.79 3.38 -1.40 -3.19 115.31 119.77 1xqq h LEU 56 Ca -0.47 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.44 1xqq h LEU 56 Cb 1.19 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1xqq h LEU 56 CO 0.63 0.97 0.57 0.77 0.09 0.00 0.00 178.44 181.47 1xqq h SER 57 N 1.08 0.70 0.02 -0.43 4.64 -0.92 -1.61 113.55 117.02 1xqq h SER 57 Ca 0.24 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1xqq h SER 57 Cb 0.30 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1xqq h SER 57 CO -0.01 0.37 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.53 1xqq h ASP 58 N 0.75 -0.02 0.70 4.97 3.58 -1.86 -3.26 116.42 121.27 1xqq h ASP 58 Ca 0.44 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1xqq h ASP 58 Cb 0.63 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1xqq h ASP 58 CO -0.20 0.39 0.00 -1.22 -2.88 0.00 0.00 179.24 175.33 1xqq n TYR 59 N -4.90 0.71 -2.71 0.28 4.01 -1.19 -4.91 117.16 108.45 1xqq n TYR 59 Ca -0.08 0.28 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 1xqq n TYR 59 Cb 0.22 -0.95 0.02 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.15 -2.93 -4.62 7.72 3.02 -0.94 -5.01 115.26 110.35 1xqq n ASN 60 Ca 0.02 -0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 1xqq n ASN 60 Cb 0.22 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 37.77 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 -3.08 4.61 0.41 2.41 1.01 -0.65 -5.00 121.20 120.91 1xqq s ILE 61 Ca 0.12 1.44 0.05 0.00 0.00 0.00 0.00 60.65 62.26 1xqq s ILE 61 Cb -0.05 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1xqq s ILE 61 CO 0.17 -0.43 0.58 -1.10 0.00 0.00 0.00 174.94 174.17 1xqq s GLN 62 N 3.40 2.92 0.41 2.79 -1.52 -1.26 -4.72 119.66 121.68 1xqq s GLN 62 Ca 0.40 -0.98 -0.25 0.00 -1.95 0.00 0.00 55.36 52.59 1xqq s GLN 62 Cb -0.13 -2.71 -0.08 0.00 -0.22 0.00 0.00 33.01 29.87 1xqq s GLN 62 CO 0.15 -0.22 1.17 -1.59 -0.25 0.00 0.00 175.29 174.55 1xqq s LYS 63 N -4.38 3.98 -1.39 2.91 -2.85 -1.26 -2.98 119.74 113.76 1xqq s LYS 63 Ca 0.51 1.83 0.00 0.00 -1.00 0.00 0.00 55.97 57.30 1xqq s LYS 63 Cb -0.10 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 1xqq s LYS 63 CO 0.34 -0.38 0.00 0.39 0.10 0.00 0.00 175.35 175.80 1xqq n GLU 64 N -0.07 -0.96 -3.78 1.78 1.02 0.81 -4.98 120.64 114.47 1xqq n GLU 64 Ca 0.05 0.93 -0.30 0.00 -0.02 0.00 0.00 57.16 57.82 1xqq n GLU 64 Cb 0.47 -5.03 -0.04 0.00 -0.02 0.00 0.00 31.44 26.82 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 -2.79 6.41 -0.38 1.62 0.15 -1.16 -4.76 113.70 112.79 1xqq s SER 65 Ca 0.00 0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.92 1xqq s SER 65 Cb 0.00 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 1xqq s SER 65 CO 0.00 0.06 0.26 -0.89 1.20 0.00 0.00 173.24 173.87 1xqq s THR 66 N -1.67 5.04 0.15 6.45 2.01 -1.26 -0.68 115.64 125.68 1xqq s THR 66 Ca 0.38 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1xqq s THR 66 Cb -0.12 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 1xqq s THR 66 CO 0.27 -0.22 0.53 -0.76 -0.69 0.00 0.00 174.62 173.76 1xqq s LEU 67 N 1.65 4.31 -0.15 4.42 1.02 -0.00 -4.60 118.68 125.33 1xqq s LEU 67 Ca 0.04 1.01 -0.12 0.00 0.02 0.00 0.00 54.13 55.08 1xqq s LEU 67 Cb -0.19 -3.31 -0.05 0.00 0.02 0.00 0.00 46.19 42.67 1xqq s LEU 67 CO 0.09 0.08 0.25 -1.00 0.02 0.00 0.00 176.35 175.79 1xqq s HIS 68 N -1.52 3.50 -0.26 0.29 3.76 0.18 -0.73 115.29 120.51 1xqq s HIS 68 Ca 0.39 0.57 -0.15 0.00 -0.15 0.00 0.00 55.06 55.71 1xqq s HIS 68 Cb -0.14 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1xqq s HIS 68 CO 0.19 0.36 0.40 -1.17 -0.85 0.00 0.00 174.74 173.67 1xqq s LEU 69 N 0.08 4.06 0.11 0.89 2.96 0.06 -2.00 118.68 124.85 1xqq s LEU 69 Ca 0.15 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1xqq s LEU 69 Cb -0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1xqq s LEU 69 CO 0.04 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.06 1xqq s VAL 70 N 1.96 1.27 0.50 1.68 1.01 -0.93 -3.95 120.40 121.94 1xqq s VAL 70 Ca 0.16 -1.64 0.05 0.00 0.00 0.00 0.00 61.98 60.56 1xqq s VAL 70 Cb -0.16 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1xqq s VAL 70 CO 0.09 -0.38 0.29 -0.76 0.00 0.00 0.00 175.10 174.34 1xqq s LEU 71 N -2.32 2.77 -0.03 3.92 1.43 -1.26 -1.04 118.68 122.16 1xqq s LEU 71 Ca 0.07 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 1xqq s LEU 71 Cb -0.06 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1xqq s LEU 71 CO 0.03 -0.91 -0.01 -0.13 0.23 0.00 0.00 176.35 175.56 1xqq s ARG 72 N -4.12 2.82 -0.11 1.70 0.52 -0.13 -4.78 118.95 114.86 1xqq s ARG 72 Ca 0.32 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1xqq s ARG 72 Cb -0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 1xqq s ARG 72 CO 0.19 0.65 -0.07 1.25 0.02 0.00 0.00 175.30 177.34 1xqq h LEU 73 N 4.62 0.00 0.04 2.53 5.85 -2.00 -3.42 115.31 122.93 1xqq h LEU 73 Ca -0.49 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 57.85 1xqq h LEU 73 Cb 1.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1xqq h LEU 73 CO 0.56 0.55 -2.29 -1.14 -0.34 0.00 0.00 178.44 175.78 1xqq n ARG 74 N -4.48 0.69 0.00 1.25 0.63 -1.26 -5.01 116.66 108.47 1xqq n ARG 74 Ca -0.03 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1xqq n ARG 74 Cb 0.10 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.42 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 2.09 2.16 0.00 5.14 0.00 -1.26 -5.22 105.19 108.10 1xqq n GLY 75 Ca -0.39 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93