#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 4.25 0.26 3.17 -0.21 -1.26 -2.56 119.66 123.31 1xqq s GLN 2 Ca 0.00 0.95 0.10 0.00 0.02 0.00 0.00 55.36 56.43 1xqq s GLN 2 Cb 0.00 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1xqq s GLN 2 CO 0.00 -0.39 -0.01 0.96 -2.12 0.00 0.00 175.29 173.73 1xqq s ILE 3 N 2.39 3.44 -0.16 1.08 -4.36 -0.71 -0.67 121.20 122.22 1xqq s ILE 3 Ca 0.36 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.81 1xqq s ILE 3 Cb -0.16 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1xqq s ILE 3 CO 0.10 -0.37 -0.08 -0.36 0.24 0.00 0.00 174.94 174.47 1xqq s PHE 4 N -2.32 2.92 -0.25 1.37 0.08 0.15 -1.76 117.98 118.17 1xqq s PHE 4 Ca 0.31 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.77 1xqq s PHE 4 Cb -0.06 -1.95 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1xqq s PHE 4 CO 0.20 -0.25 -0.08 0.08 -0.10 0.00 0.00 175.22 175.07 1xqq s VAL 5 N 0.67 1.85 0.13 -0.44 1.01 0.30 0.20 120.40 124.12 1xqq s VAL 5 Ca -0.04 -1.46 -0.15 0.00 0.00 0.00 0.00 61.98 60.34 1xqq s VAL 5 Cb -0.15 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1xqq s VAL 5 CO 0.02 -0.09 0.54 -1.59 0.00 0.00 0.00 175.10 173.98 1xqq s LYS 6 N 1.24 3.99 0.59 2.72 -2.85 -1.13 -0.67 119.74 123.63 1xqq s LYS 6 Ca -0.07 0.50 -0.06 0.00 -1.00 0.00 0.00 55.97 55.34 1xqq s LYS 6 Cb -0.19 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 1xqq s LYS 6 CO -0.06 0.51 0.91 0.95 0.10 0.00 0.00 175.35 177.76 1xqq s THR 7 N -1.41 3.77 0.48 3.79 -4.23 -0.31 -1.99 115.64 115.74 1xqq s THR 7 Ca 0.36 0.09 0.25 0.00 -1.18 0.00 0.00 61.69 61.20 1xqq s THR 7 Cb -0.15 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.47 1xqq s THR 7 CO 0.19 -0.53 2.11 -0.07 -0.54 0.00 0.00 174.62 175.78 1xqq h LEU 8 N -0.19 0.00 -0.02 4.79 3.38 -1.91 -3.15 115.31 118.21 1xqq h LEU 8 Ca -0.45 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 1xqq h LEU 8 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 8 CO 0.61 0.09 -0.59 0.71 0.09 0.00 0.00 178.44 179.35 1xqq h THR 9 N 0.00 1.41 0.00 0.22 1.35 -1.96 -3.47 112.91 110.46 1xqq h THR 9 Ca -0.00 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1xqq h THR 9 Cb 0.22 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1xqq h THR 9 CO 0.01 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1xqq n GLY 10 N 1.00 0.41 3.60 5.82 0.00 -1.19 -5.14 105.19 109.69 1xqq n GLY 10 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 3.93 -0.14 1.61 2.20 -1.26 -4.93 119.74 121.14 1xqq s LYS 11 Ca 0.00 -0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 55.07 1xqq s LYS 11 Cb 0.00 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1xqq s LYS 11 CO 0.00 0.09 0.50 0.99 -0.36 0.00 0.00 175.35 176.56 1xqq s THR 12 N 0.92 5.16 -0.14 3.43 2.01 -1.26 -1.16 115.64 124.59 1xqq s THR 12 Ca 0.05 0.97 -0.07 0.00 0.31 0.00 0.00 61.69 62.95 1xqq s THR 12 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1xqq s THR 12 CO 0.03 0.27 0.10 -0.63 -0.69 0.00 0.00 174.62 173.70 1xqq s ILE 13 N 0.97 5.12 -0.48 1.82 1.01 0.15 -4.92 121.20 124.88 1xqq s ILE 13 Ca 0.26 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 1xqq s ILE 13 Cb -0.15 -3.25 0.12 0.00 0.01 0.00 0.00 42.46 39.19 1xqq s ILE 13 CO 0.10 0.55 0.36 -0.89 0.00 0.00 0.00 174.94 175.07 1xqq s THR 14 N -0.48 4.33 -0.27 2.92 2.01 -1.26 -0.54 115.64 122.35 1xqq s THR 14 Ca 0.11 -1.74 -0.15 0.00 0.31 0.00 0.00 61.69 60.22 1xqq s THR 14 Cb -0.12 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1xqq s THR 14 CO 0.02 -0.78 0.36 -0.76 -0.69 0.00 0.00 174.62 172.77 1xqq s LEU 15 N 1.39 4.06 -0.69 4.42 1.43 -0.72 -4.93 118.68 123.63 1xqq s LEU 15 Ca 0.05 0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1xqq s LEU 15 Cb -0.27 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 43.68 1xqq s LEU 15 CO -0.00 -0.18 0.81 -1.61 0.23 0.00 0.00 176.35 175.60 1xqq s GLU 16 N 2.04 3.23 0.34 1.70 2.02 -1.26 -1.73 118.70 125.05 1xqq s GLU 16 Ca 0.14 -1.53 0.06 0.00 0.02 0.00 0.00 54.97 53.66 1xqq s GLU 16 Cb -0.16 -4.41 -0.07 0.00 0.10 0.00 0.00 34.13 29.59 1xqq s GLU 16 CO 0.10 -1.57 0.01 0.14 0.02 0.00 0.00 175.26 173.96 1xqq s VAL 17 N 2.44 1.59 0.18 2.63 -7.23 -1.06 -4.86 120.40 114.09 1xqq s VAL 17 Ca 0.17 -2.04 0.10 0.00 -1.81 0.00 0.00 61.98 58.40 1xqq s VAL 17 Cb -0.18 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1xqq s VAL 17 CO 0.01 -0.07 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.98 1xqq s GLU 18 N -3.79 1.88 0.00 4.82 0.41 -1.26 0.21 118.70 120.97 1xqq s GLU 18 Ca 0.34 -1.35 0.17 0.00 -0.41 0.00 0.00 54.97 53.72 1xqq s GLU 18 Cb 0.08 -2.06 0.87 0.00 -1.78 0.00 0.00 34.13 31.24 1xqq s GLU 18 CO 0.16 0.42 1.46 -0.35 -0.49 0.00 0.00 175.26 176.46 1xqq n PRO 19 N 0.13 0.31 0.03 0.39 -0.04 -1.26 -1.17 135.00 133.38 1xqq n PRO 19 Ca -0.11 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1xqq n PRO 19 Cb 0.56 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.22 0.56 -4.77 3.54 7.64 -1.26 -2.38 113.62 115.73 1xqq n SER 20 Ca 0.09 -0.02 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 1xqq n SER 20 Cb 0.11 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 -3.59 5.62 0.70 6.43 1.01 -0.31 -4.82 116.67 121.71 1xqq s ASP 21 Ca 0.09 2.24 -0.02 0.00 0.71 0.00 0.00 52.55 55.56 1xqq s ASP 21 Cb 0.16 -2.59 0.11 0.00 1.01 0.00 0.00 42.92 41.61 1xqq s ASP 21 CO 0.70 -1.29 0.98 0.42 0.21 0.00 0.00 175.17 176.19 1xqq s THR 22 N -1.71 2.25 0.16 -1.27 -4.23 -1.26 -1.79 115.64 107.78 1xqq s THR 22 Ca 0.73 -0.53 0.15 0.00 -1.18 0.00 0.00 61.69 60.87 1xqq s THR 22 Cb -0.26 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 22 CO 0.29 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.41 1xqq h ILE 23 N -0.50 1.09 0.20 2.99 1.08 -1.35 -1.97 117.51 119.06 1xqq h ILE 23 Ca -0.39 -1.89 -0.01 0.00 -0.39 0.00 0.00 64.86 62.18 1xqq h ILE 23 Cb 1.28 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1xqq h ILE 23 CO 0.45 0.49 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.97 1xqq h GLU 24 N 0.00 -0.26 -1.01 2.37 5.08 -1.87 -2.14 114.58 116.75 1xqq h GLU 24 Ca -0.00 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 1xqq h GLU 24 Cb 1.06 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.24 1xqq h GLU 24 CO 0.06 -0.11 0.59 -0.91 -1.00 0.00 0.00 179.01 177.65 1xqq h ASN 25 N -0.36 0.63 0.06 1.42 2.35 -1.84 -0.13 115.58 117.72 1xqq h ASN 25 Ca -0.03 0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1xqq h ASN 25 Cb 0.28 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1xqq h ASN 25 CO 0.05 0.04 -0.45 0.58 -1.65 0.00 0.00 177.43 176.00 1xqq h VAL 26 N 0.51 1.59 -0.04 2.81 2.07 -1.06 -2.87 116.25 119.25 1xqq h VAL 26 Ca 0.67 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.89 1xqq h VAL 26 Cb 1.35 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1xqq h VAL 26 CO -0.50 0.64 0.04 0.11 0.02 0.00 0.00 177.57 177.87 1xqq h LYS 27 N -0.54 0.00 0.00 1.57 1.57 -1.35 -2.63 116.57 115.19 1xqq h LYS 27 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 27 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1xqq h LYS 27 CO 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1xqq h ALA 28 N 1.97 1.00 -0.02 3.86 0.00 -0.80 -0.66 119.26 124.61 1xqq h ALA 28 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1xqq h ALA 28 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xqq h ALA 28 CO -0.00 0.00 -0.46 0.87 0.00 0.00 0.00 179.25 179.66 1xqq h LYS 29 N 0.00 0.05 0.00 0.00 1.79 -1.35 -0.58 116.57 116.48 1xqq h LYS 29 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1xqq h LYS 29 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1xqq h LYS 29 CO 0.00 0.50 -0.70 0.82 -1.08 0.00 0.00 179.45 178.99 1xqq h ILE 30 N 0.04 0.00 -0.13 1.86 2.04 -1.38 -1.58 117.51 118.36 1xqq h ILE 30 Ca -0.00 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 1xqq h ILE 30 Cb 0.83 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1xqq h ILE 30 CO 0.06 0.00 -0.45 -0.61 0.00 0.00 0.00 178.15 177.15 1xqq h GLN 31 N 0.00 0.31 0.19 2.37 4.15 -0.96 0.36 115.11 121.54 1xqq h GLN 31 Ca 0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1xqq h GLN 31 Cb 0.90 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1xqq h GLN 31 CO 0.00 0.70 -0.09 0.22 -1.93 0.00 0.00 178.83 177.73 1xqq h ASP 32 N 0.25 -0.22 0.31 -0.69 3.58 -1.03 -2.83 116.42 115.80 1xqq h ASP 32 Ca 0.02 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 1xqq h ASP 32 Cb 0.89 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1xqq h ASP 32 CO 0.07 0.28 -0.15 0.50 -2.88 0.00 0.00 179.24 177.06 1xqq h LYS 33 N -0.80 -0.41 0.04 0.28 3.64 -1.35 -3.39 116.57 114.59 1xqq h LYS 33 Ca -0.03 0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1xqq h LYS 33 Cb 0.52 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1xqq h LYS 33 CO 0.04 -0.27 -1.89 0.39 -2.27 0.00 0.00 179.45 175.46 1xqq n GLU 34 N -4.24 0.68 -1.33 1.90 -0.58 -0.48 -5.01 120.64 111.58 1xqq n GLU 34 Ca -0.05 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1xqq n GLU 34 Cb 0.17 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 1.73 0.88 3.40 0.62 0.00 -0.00 -4.98 105.19 106.84 1xqq n GLY 35 Ca -0.24 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.85 2.43 0.25 -0.61 1.01 -1.20 -4.96 121.20 115.26 1xqq s ILE 36 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 1xqq s ILE 36 Cb 0.00 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.36 1xqq s ILE 36 CO 0.00 0.27 1.09 -2.84 0.00 0.00 0.00 174.94 173.45 1xqq s PRO 37 N -1.58 4.64 0.53 2.79 0.02 -1.26 -4.07 135.00 136.08 1xqq s PRO 37 Ca 0.14 1.76 0.20 0.00 0.02 0.00 0.00 61.00 63.11 1xqq s PRO 37 Cb -0.10 -3.22 1.38 0.00 0.02 0.00 0.00 34.50 32.58 1xqq s PRO 37 CO 0.05 0.20 2.13 -1.35 -0.33 0.00 0.00 177.00 177.70 1xqq h PRO 38 N 4.22 0.00 -0.26 5.54 0.11 -1.88 0.58 132.00 140.30 1xqq h PRO 38 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 1xqq h PRO 38 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.69 0.00 -0.51 0.38 -0.21 0.00 0.00 178.00 178.35 1xqq h ASP 39 N 0.00 0.83 0.22 -2.05 2.03 -1.99 -3.31 116.42 112.15 1xqq h ASP 39 Ca 0.05 -0.43 -0.19 0.00 -0.73 0.00 0.00 57.03 55.74 1xqq h ASP 39 Cb 0.21 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1xqq h ASP 39 CO -0.00 1.19 -0.73 -0.61 -1.03 0.00 0.00 179.24 178.05 1xqq h GLN 40 N 0.59 0.44 -6.26 4.15 4.15 -1.70 -3.42 115.11 113.06 1xqq h GLN 40 Ca 0.02 -0.36 -0.56 0.00 0.77 0.00 0.00 58.65 58.53 1xqq h GLN 40 Cb 1.09 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1xqq h GLN 40 CO 0.11 0.99 1.10 -0.65 -1.93 0.00 0.00 178.83 178.45 1xqq s GLN 41 N -3.63 3.95 -0.15 1.69 -0.21 0.11 -3.20 119.66 118.21 1xqq s GLN 41 Ca -0.06 1.84 -0.03 0.00 0.02 0.00 0.00 55.36 57.13 1xqq s GLN 41 Cb 0.10 -4.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 1xqq s GLN 41 CO 0.84 -1.11 -0.06 0.50 -2.12 0.00 0.00 175.29 173.34 1xqq s ARG 42 N 4.39 3.56 -0.09 2.91 3.52 -0.35 -4.83 118.95 128.07 1xqq s ARG 42 Ca 0.71 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 1xqq s ARG 42 Cb -0.27 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 1xqq s ARG 42 CO 0.28 0.20 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.62 1xqq s LEU 43 N 0.45 2.47 -0.07 -0.88 2.96 -1.26 -1.02 118.68 121.32 1xqq s LEU 43 Ca -0.05 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1xqq s LEU 43 Cb -0.15 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1xqq s LEU 43 CO 0.03 0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.51 1xqq s ILE 44 N -0.00 1.31 -0.15 6.68 1.01 -0.79 -0.81 121.20 128.45 1xqq s ILE 44 Ca -0.06 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 1xqq s ILE 44 Cb -0.15 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1xqq s ILE 44 CO 0.05 0.39 -0.12 0.15 0.00 0.00 0.00 174.94 175.41 1xqq h PHE 45 N 6.90 0.00 0.00 3.97 3.57 -1.88 -1.80 116.94 127.70 1xqq h PHE 45 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1xqq h PHE 45 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1xqq h PHE 45 CO 0.48 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.77 1xqq n ALA 46 N -3.58 2.61 0.03 2.41 0.00 -1.26 -4.73 120.51 115.98 1xqq n ALA 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 3.17 0.02 3.63 0.00 0.00 -1.26 -5.07 105.19 105.69 1xqq n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.58 0.26 0.24 1.61 -2.85 -1.26 -5.04 119.74 111.12 1xqq s LYS 48 Ca 0.00 0.72 -0.18 0.00 -1.00 0.00 0.00 55.97 55.51 1xqq s LYS 48 Cb 0.00 -1.70 -0.08 0.00 -2.06 0.00 0.00 37.83 33.99 1xqq s LYS 48 CO 0.00 -2.90 0.71 1.14 0.10 0.00 0.00 175.35 174.40 1xqq s GLN 49 N -4.81 4.18 0.18 1.78 0.00 -1.26 -3.87 119.66 115.86 1xqq s GLN 49 Ca 0.66 0.79 -0.29 0.00 -0.00 0.00 0.00 55.36 56.52 1xqq s GLN 49 Cb -0.20 -2.79 -0.08 0.00 0.00 0.00 0.00 33.01 29.94 1xqq s GLN 49 CO 0.59 0.35 0.92 -0.51 0.00 0.00 0.00 175.29 176.64 1xqq s LEU 50 N -2.18 4.58 -0.00 2.60 1.43 0.01 -5.00 118.68 120.13 1xqq s LEU 50 Ca 0.45 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1xqq s LEU 50 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1xqq s LEU 50 CO 0.20 0.09 0.12 -0.70 0.23 0.00 0.00 176.35 176.29 1xqq s GLU 51 N -0.73 3.21 0.00 1.70 2.12 -1.26 -4.67 118.70 119.07 1xqq s GLU 51 Ca 0.42 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1xqq s GLU 51 Cb -0.24 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1xqq s GLU 51 CO 0.30 0.66 0.78 -0.25 -0.54 0.00 0.00 175.26 176.20 1xqq n ASP 52 N 1.07 0.00 -0.87 -1.70 8.00 -1.26 -3.28 116.55 118.51 1xqq n ASP 52 Ca -0.12 0.78 0.03 0.00 0.71 0.00 0.00 54.79 56.18 1xqq n ASP 52 Cb 0.53 -0.29 0.14 0.00 -0.02 0.00 0.00 41.12 41.47 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N -0.99 1.58 3.97 0.44 0.00 -1.26 -2.17 105.19 106.75 1xqq n GLY 53 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.63 3.18 0.31 1.61 1.81 -1.20 -4.99 118.95 118.03 1xqq s ARG 54 Ca 0.19 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.59 1xqq s ARG 54 Cb 0.13 -2.70 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 1xqq s ARG 54 CO 0.07 -0.03 0.40 0.95 -0.68 0.00 0.00 175.30 176.01 1xqq s THR 55 N -2.33 4.22 0.56 0.02 -4.23 -1.26 -3.03 115.64 109.59 1xqq s THR 55 Ca 0.45 -1.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.12 1xqq s THR 55 Cb -0.10 -3.45 0.33 0.00 1.34 0.00 0.00 72.50 70.62 1xqq s THR 55 CO 0.34 -0.21 2.22 -0.07 -0.54 0.00 0.00 174.62 176.36 1xqq h LEU 56 N 1.05 0.00 -0.97 4.79 3.38 -1.49 -1.92 115.31 120.15 1xqq h LEU 56 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 56 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1xqq h LEU 56 CO 0.56 0.01 -0.11 -1.28 0.09 0.00 0.00 178.44 177.71 1xqq h SER 57 N 0.00 0.60 -0.37 -0.43 0.87 -1.75 -1.36 113.55 111.11 1xqq h SER 57 Ca -0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1xqq h SER 57 Cb 0.03 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1xqq h SER 57 CO 0.00 0.75 0.22 0.44 -0.53 0.00 0.00 176.83 177.71 1xqq h ASP 58 N 0.57 0.47 0.68 6.23 5.19 -1.67 -2.41 116.42 125.48 1xqq h ASP 58 Ca 0.10 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 1xqq h ASP 58 Cb 0.53 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1xqq h ASP 58 CO 0.03 0.38 -1.38 -1.22 -3.12 0.00 0.00 179.24 173.94 1xqq n TYR 59 N -4.44 0.76 -2.09 4.55 4.01 -1.21 -5.00 117.16 113.74 1xqq n TYR 59 Ca 0.03 0.23 -0.02 0.00 -0.16 0.00 0.00 57.90 57.98 1xqq n TYR 59 Cb 0.10 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.21 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 -2.67 -4.39 -4.30 7.72 4.13 -0.60 -5.06 115.26 110.08 1xqq n ASN 60 Ca -0.05 0.11 -0.33 0.00 1.68 0.00 0.00 54.58 55.98 1xqq n ASN 60 Cb 0.67 -2.77 -0.15 0.00 -1.54 0.00 0.00 39.78 35.99 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -2.27 2.80 0.41 2.41 1.01 -0.66 -5.03 121.20 119.86 1xqq s ILE 61 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1xqq s ILE 61 Cb -0.02 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1xqq s ILE 61 CO 0.31 0.51 0.09 0.00 0.00 0.00 0.00 174.94 175.85 1xqq n GLN 62 N 3.90 0.70 -1.47 2.79 6.02 -1.26 -4.81 117.38 123.26 1xqq n GLN 62 Ca -0.19 -3.26 -0.33 0.00 -0.01 0.00 0.00 57.00 53.22 1xqq n GLN 62 Cb 0.52 1.45 0.08 0.00 1.02 0.00 0.00 30.24 33.31 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 -3.52 2.33 -1.37 -1.09 -2.85 -1.26 -3.75 119.74 108.23 1xqq s LYS 63 Ca 0.12 1.48 -0.08 0.00 -1.00 0.00 0.00 55.97 56.50 1xqq s LYS 63 Cb 0.01 -1.88 0.02 0.00 -2.06 0.00 0.00 37.83 33.92 1xqq s LYS 63 CO 0.09 -1.63 1.09 0.39 0.10 0.00 0.00 175.35 175.38 1xqq n GLU 64 N -2.87 -7.08 -5.01 1.78 1.02 0.16 -5.01 120.64 103.62 1xqq n GLU 64 Ca 0.11 0.77 -0.32 0.00 -0.02 0.00 0.00 57.16 57.70 1xqq n GLU 64 Cb 0.52 -5.76 -0.15 0.00 -0.02 0.00 0.00 31.44 26.02 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 -3.55 3.58 0.17 1.62 0.01 -1.25 -4.94 113.70 109.35 1xqq s SER 65 Ca 0.48 -0.40 -0.25 0.00 1.31 0.00 0.00 55.95 57.08 1xqq s SER 65 Cb -0.22 -1.26 -0.08 0.00 0.21 0.00 0.00 66.02 64.67 1xqq s SER 65 CO 0.76 0.21 0.78 -0.89 0.41 0.00 0.00 173.24 174.50 1xqq s THR 66 N 0.06 4.37 0.30 1.44 2.01 -1.26 -0.68 115.64 121.88 1xqq s THR 66 Ca -0.08 1.68 0.07 0.00 0.31 0.00 0.00 61.69 63.67 1xqq s THR 66 Cb -0.15 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 1xqq s THR 66 CO 0.05 0.49 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.67 1xqq s LEU 67 N -1.23 2.50 -0.39 4.42 1.02 0.13 -4.91 118.68 120.22 1xqq s LEU 67 Ca 0.37 -1.22 -0.06 0.00 0.02 0.00 0.00 54.13 53.24 1xqq s LEU 67 Cb -0.23 -0.66 0.08 0.00 0.02 0.00 0.00 46.19 45.40 1xqq s LEU 67 CO 0.26 -0.36 0.19 -1.00 0.02 0.00 0.00 176.35 175.46 1xqq s HIS 68 N -2.98 3.40 -0.17 0.29 3.76 -0.68 -2.84 115.29 116.07 1xqq s HIS 68 Ca 0.31 -1.87 -0.29 0.00 -0.15 0.00 0.00 55.06 53.06 1xqq s HIS 68 Cb 0.04 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 1xqq s HIS 68 CO 0.13 -0.88 1.39 -1.17 -0.85 0.00 0.00 174.74 173.36 1xqq s LEU 69 N 1.30 4.14 0.13 0.89 2.96 -0.84 -1.88 118.68 125.37 1xqq s LEU 69 Ca 0.03 1.72 0.06 0.00 -0.22 0.00 0.00 54.13 55.72 1xqq s LEU 69 Cb -0.22 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1xqq s LEU 69 CO -0.00 -0.89 -0.13 0.68 -1.32 0.00 0.00 176.35 174.68 1xqq s VAL 70 N 3.92 1.32 0.40 1.68 -7.23 -0.19 -4.13 120.40 116.17 1xqq s VAL 70 Ca 0.60 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 59.07 1xqq s VAL 70 Cb -0.24 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1xqq s VAL 70 CO 0.20 -0.47 0.22 -0.76 -0.31 0.00 0.00 175.10 173.98 1xqq s LEU 71 N -2.58 3.20 -0.17 1.32 1.43 -1.26 -1.21 118.68 119.42 1xqq s LEU 71 Ca 0.10 -0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 51.98 1xqq s LEU 71 Cb -0.04 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1xqq s LEU 71 CO 0.03 -0.53 0.84 -0.60 0.23 0.00 0.00 176.35 176.32 1xqq s ARG 72 N -3.95 4.30 0.00 1.70 3.52 -1.19 -4.89 118.95 118.44 1xqq s ARG 72 Ca 0.42 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 1xqq s ARG 72 Cb 0.01 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 1xqq s ARG 72 CO 0.24 -0.34 0.00 1.28 -0.81 0.00 0.00 175.30 175.67 1xqq n LEU 73 N 5.27 0.23 0.01 -0.88 4.77 -1.26 -4.93 117.00 120.20 1xqq n LEU 73 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1xqq n LEU 73 Cb 0.49 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1xqq n LEU 73 CO 0.48 -0.38 -0.40 0.54 -1.33 0.00 0.00 177.39 176.31 1xqq n ARG 74 N -2.06 0.00 0.00 3.23 5.12 -1.26 -5.14 116.66 116.55 1xqq n ARG 74 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1xqq n ARG 74 Cb 0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqq n GLY 75 N 2.99 4.13 0.00 -0.13 0.00 -1.26 -5.25 105.19 105.67 1xqq n GLY 75 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93