#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 2.58 -0.03 3.17 -0.21 -1.26 -0.52 119.66 123.38 1xqq s GLN 2 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.71 1xqq s GLN 2 Cb 0.00 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 1xqq s GLN 2 CO 0.00 0.56 -0.18 0.96 -2.12 0.00 0.00 175.29 174.51 1xqq s ILE 3 N -0.57 2.72 -0.34 1.08 -4.36 -0.05 -1.31 121.20 118.37 1xqq s ILE 3 Ca 0.08 -0.89 -0.13 0.00 -0.26 0.00 0.00 60.65 59.45 1xqq s ILE 3 Cb -0.11 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 1xqq s ILE 3 CO 0.01 0.56 0.25 -0.36 0.24 0.00 0.00 174.94 175.64 1xqq s PHE 4 N -0.71 3.23 -0.44 1.37 0.08 -0.78 -2.18 117.98 118.55 1xqq s PHE 4 Ca 0.11 -0.19 -0.15 0.00 0.12 0.00 0.00 56.93 56.82 1xqq s PHE 4 Cb -0.10 -2.49 0.05 0.00 -0.57 0.00 0.00 43.02 39.91 1xqq s PHE 4 CO 0.00 -0.36 0.34 0.08 -0.10 0.00 0.00 175.22 175.19 1xqq s VAL 5 N 1.74 5.19 -0.19 -0.44 1.01 0.08 -0.59 120.40 127.21 1xqq s VAL 5 Ca 0.06 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1xqq s VAL 5 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1xqq s VAL 5 CO 0.11 -0.45 0.56 -0.75 0.00 0.00 0.00 175.10 174.57 1xqq s LYS 6 N 1.65 4.21 0.79 2.72 2.20 0.81 -0.97 119.74 131.15 1xqq s LYS 6 Ca 0.04 0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 1xqq s LYS 6 Cb -0.22 -3.56 0.07 0.00 -1.51 0.00 0.00 37.83 32.61 1xqq s LYS 6 CO 0.08 -0.16 1.09 0.95 -0.36 0.00 0.00 175.35 176.95 1xqq s THR 7 N 1.67 3.14 0.09 3.43 -4.23 0.17 -0.88 115.64 119.03 1xqq s THR 7 Ca 0.26 0.37 0.27 0.00 -1.18 0.00 0.00 61.69 61.41 1xqq s THR 7 Cb -0.16 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.87 1xqq s THR 7 CO 0.10 -0.48 1.86 0.25 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 8 N -1.08 0.00 0.00 4.79 5.85 -1.85 -3.34 115.31 119.69 1xqq h LEU 8 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1xqq h LEU 8 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1xqq h LEU 8 CO 0.59 0.15 0.00 0.35 -0.34 0.00 0.00 178.44 179.19 1xqq n THR 9 N -3.29 0.00 0.00 1.05 -2.24 -1.26 -4.99 114.28 103.55 1xqq n THR 9 Ca 0.00 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1xqq n THR 9 Cb 0.40 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 1.29 0.00 3.42 3.38 0.00 -1.25 -5.16 105.19 106.87 1xqq n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.08 -0.20 1.61 2.20 -1.26 -4.96 119.74 119.21 1xqq s LYS 11 Ca 0.00 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1xqq s LYS 11 Cb 0.00 -2.15 0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1xqq s LYS 11 CO 0.00 0.55 -0.12 0.99 -0.36 0.00 0.00 175.35 176.41 1xqq s THR 12 N -0.83 1.75 -0.15 3.43 2.01 -1.26 0.44 115.64 121.03 1xqq s THR 12 Ca 0.13 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 1xqq s THR 12 Cb -0.10 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1xqq s THR 12 CO 0.03 0.23 0.23 -0.63 -0.69 0.00 0.00 174.62 173.79 1xqq s ILE 13 N 1.36 5.35 -0.51 1.82 1.09 -0.15 -4.90 121.20 125.25 1xqq s ILE 13 Ca -0.01 0.41 -0.14 0.00 -1.10 0.00 0.00 60.65 59.81 1xqq s ILE 13 Cb -0.16 -3.55 0.12 0.00 -1.06 0.00 0.00 42.46 37.81 1xqq s ILE 13 CO -0.09 0.46 0.45 -0.89 -0.10 0.00 0.00 174.94 174.77 1xqq s THR 14 N 0.04 4.94 -0.11 2.92 2.01 -1.26 -0.74 115.64 123.45 1xqq s THR 14 Ca 0.14 -1.53 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 1xqq s THR 14 Cb -0.13 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1xqq s THR 14 CO 0.03 -0.81 0.22 -0.76 -0.69 0.00 0.00 174.62 172.61 1xqq s LEU 15 N 1.54 4.36 -0.27 4.42 1.43 -0.93 -4.94 118.68 124.29 1xqq s LEU 15 Ca 0.04 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 1xqq s LEU 15 Cb -0.28 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 1xqq s LEU 15 CO 0.02 0.31 0.80 -1.61 0.23 0.00 0.00 176.35 176.10 1xqq s GLU 16 N -0.61 4.08 0.14 1.70 2.02 -1.26 -0.87 118.70 123.90 1xqq s GLU 16 Ca 0.16 0.76 0.05 0.00 0.02 0.00 0.00 54.97 55.96 1xqq s GLU 16 Cb -0.13 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1xqq s GLU 16 CO 0.05 -0.59 -0.11 0.14 0.02 0.00 0.00 175.26 174.77 1xqq s VAL 17 N 2.89 1.21 0.13 2.63 -7.23 0.32 -4.94 120.40 115.41 1xqq s VAL 17 Ca 0.33 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1xqq s VAL 17 Cb -0.15 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 1xqq s VAL 17 CO 0.10 -0.65 0.46 -1.61 -0.31 0.00 0.00 175.10 173.08 1xqq s GLU 18 N -3.43 3.79 0.00 4.82 0.41 -1.26 -0.20 118.70 122.83 1xqq s GLU 18 Ca 0.14 0.21 0.17 0.00 -0.41 0.00 0.00 54.97 55.09 1xqq s GLU 18 Cb 0.00 -2.89 0.81 0.00 -1.78 0.00 0.00 34.13 30.28 1xqq s GLU 18 CO 0.01 0.48 1.54 -0.35 -0.49 0.00 0.00 175.26 176.45 1xqq n PRO 19 N 0.53 0.12 0.00 0.39 -0.04 -1.26 -1.14 135.00 133.60 1xqq n PRO 19 Ca -0.05 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 1xqq n PRO 19 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.40 0.83 -4.77 3.54 3.41 -1.26 -2.34 113.62 111.64 1xqq n SER 20 Ca 0.06 -0.64 -0.34 0.00 -0.26 0.00 0.00 58.87 57.70 1xqq n SER 20 Cb 0.17 0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.74 5.21 0.30 4.04 1.01 -0.30 -4.83 116.67 119.37 1xqq s ASP 21 Ca 0.18 2.11 0.07 0.00 0.71 0.00 0.00 52.55 55.62 1xqq s ASP 21 Cb 0.18 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1xqq s ASP 21 CO 0.62 -1.56 0.25 0.42 0.21 0.00 0.00 175.17 175.10 1xqq s THR 22 N -2.09 3.84 0.39 -1.27 -4.23 -1.26 -2.74 115.64 108.28 1xqq s THR 22 Ca 0.70 -1.41 0.17 0.00 -1.18 0.00 0.00 61.69 59.97 1xqq s THR 22 Cb -0.23 -3.25 0.17 0.00 1.34 0.00 0.00 72.50 70.53 1xqq s THR 22 CO 0.37 -0.24 1.93 0.40 -0.54 0.00 0.00 174.62 176.53 1xqq h ILE 23 N 1.36 1.05 -0.97 2.99 1.08 -1.18 -0.16 117.51 121.69 1xqq h ILE 23 Ca -0.46 -0.92 0.31 0.00 -0.39 0.00 0.00 64.86 63.40 1xqq h ILE 23 Cb 1.25 1.51 -0.15 0.00 -3.07 0.00 0.00 36.82 36.36 1xqq h ILE 23 CO 0.59 0.25 0.47 -0.08 -0.69 0.00 0.00 178.15 178.69 1xqq h GLU 24 N 0.00 0.26 0.00 2.37 4.81 -1.76 -2.69 114.58 117.57 1xqq h GLU 24 Ca -0.00 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 1xqq h GLU 24 Cb 0.49 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1xqq h GLU 24 CO 0.03 0.17 -0.95 -0.91 -0.73 0.00 0.00 179.01 176.63 1xqq h ASN 25 N 0.27 0.00 -0.39 1.04 -0.26 -1.35 -2.77 115.58 112.11 1xqq h ASN 25 Ca 0.69 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.31 1xqq h ASN 25 Cb 1.56 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 1xqq h ASN 25 CO -0.64 0.92 -0.22 0.58 -1.06 0.00 0.00 177.43 177.02 1xqq h VAL 26 N 0.00 1.27 -0.25 2.81 2.07 -1.23 -2.22 116.25 118.70 1xqq h VAL 26 Ca -0.02 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.00 1xqq h VAL 26 Cb 1.72 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1xqq h VAL 26 CO 0.12 0.46 -0.39 0.11 0.02 0.00 0.00 177.57 177.89 1xqq h LYS 27 N 0.78 0.70 -0.86 1.57 1.57 -1.51 -2.65 116.57 116.16 1xqq h LYS 27 Ca 0.10 -0.42 0.21 0.00 -1.87 0.00 0.00 60.65 58.67 1xqq h LYS 27 Cb 0.76 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.99 1xqq h LYS 27 CO 0.06 1.04 0.32 0.00 -0.57 0.00 0.00 179.45 180.31 1xqq h ALA 28 N 0.65 1.31 0.01 3.86 0.00 -1.26 -1.70 119.26 122.13 1xqq h ALA 28 Ca 0.02 0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 1xqq h ALA 28 Cb 0.99 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1xqq h ALA 28 CO 0.09 -0.36 -0.92 0.87 0.00 0.00 0.00 179.25 178.93 1xqq h LYS 29 N 0.34 0.11 -0.31 0.00 1.79 -1.28 -1.11 116.57 116.11 1xqq h LYS 29 Ca 0.53 -0.14 -0.16 0.00 -2.18 0.00 0.00 60.65 58.70 1xqq h LYS 29 Cb 0.99 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1xqq h LYS 29 CO -0.55 0.95 -0.44 0.82 -1.08 0.00 0.00 179.45 179.15 1xqq h ILE 30 N 0.05 1.28 -0.61 1.86 2.04 -1.05 -2.17 117.51 118.92 1xqq h ILE 30 Ca -0.04 -1.62 0.12 0.00 1.00 0.00 0.00 64.86 64.33 1xqq h ILE 30 Cb 1.59 1.57 -0.10 0.00 -0.74 0.00 0.00 36.82 39.14 1xqq h ILE 30 CO 0.13 0.53 0.05 -0.61 0.00 0.00 0.00 178.15 178.25 1xqq h GLN 31 N 0.62 0.16 0.66 2.37 4.15 -1.28 0.39 115.11 122.18 1xqq h GLN 31 Ca 0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1xqq h GLN 31 Cb 1.04 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.70 1xqq h GLN 31 CO 0.10 0.10 -0.32 0.22 -1.93 0.00 0.00 178.83 177.01 1xqq h ASP 32 N 0.16 -0.75 0.06 -0.69 3.58 -1.24 -2.73 116.42 114.82 1xqq h ASP 32 Ca 0.32 0.02 -0.22 0.00 0.42 0.00 0.00 57.03 57.57 1xqq h ASP 32 Cb 0.51 0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1xqq h ASP 32 CO -0.48 -0.53 -0.83 0.11 -2.88 0.00 0.00 179.24 174.63 1xqq h LYS 33 N -0.90 0.61 0.00 0.28 1.57 -0.71 -3.40 116.57 114.02 1xqq h LYS 33 Ca -0.09 -0.54 -0.24 0.00 -1.87 0.00 0.00 60.65 57.91 1xqq h LYS 33 Cb 0.68 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1xqq h LYS 33 CO 0.15 1.16 -1.90 0.39 -0.57 0.00 0.00 179.45 178.68 1xqq n GLU 34 N -3.87 0.39 -1.01 3.15 -0.58 0.13 -5.05 120.64 113.81 1xqq n GLU 34 Ca -0.07 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1xqq n GLU 34 Cb 0.77 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 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 2.74 0.77 3.39 0.62 0.00 -1.03 -5.02 105.19 106.66 1xqq n GLY 35 Ca -0.28 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.20 3.44 0.65 -0.61 1.01 -1.26 -5.01 121.20 117.22 1xqq s ILE 36 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1xqq s ILE 36 Cb 0.00 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 1xqq s ILE 36 CO 0.00 0.48 1.15 -2.84 0.00 0.00 0.00 174.94 173.73 1xqq s PRO 37 N 0.74 2.74 0.41 2.79 0.02 -1.26 -3.92 135.00 136.51 1xqq s PRO 37 Ca -0.03 1.57 0.25 0.00 0.02 0.00 0.00 61.00 62.81 1xqq s PRO 37 Cb -0.15 -1.93 0.59 0.00 0.02 0.00 0.00 34.50 33.04 1xqq s PRO 37 CO 0.02 -1.33 1.70 -1.00 -0.33 0.00 0.00 177.00 176.05 1xqq h PRO 38 N 0.23 0.00 0.00 5.54 0.13 -1.94 -1.25 132.00 134.72 1xqq h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 1xqq n ASP 39 N -2.92 0.25 0.02 1.44 9.92 -1.26 -3.37 116.55 120.62 1xqq n ASP 39 Ca 0.04 0.57 0.11 0.00 -0.53 0.00 0.00 54.79 54.97 1xqq n ASP 39 Cb 0.47 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.25 1xqq n ASP 39 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1xqq n GLN 40 N -1.78 0.43 -3.20 -1.24 -0.06 -0.48 -4.88 117.38 106.18 1xqq n GLN 40 Ca 0.03 -0.07 -0.41 0.00 -2.00 0.00 0.00 57.00 54.55 1xqq n GLN 40 Cb 0.17 -1.57 -0.07 0.00 -4.06 0.00 0.00 30.24 24.71 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1xqq s GLN 41 N -3.32 3.92 -0.28 3.69 -0.21 -1.20 -1.05 119.66 121.21 1xqq s GLN 41 Ca -0.01 0.21 -0.00 0.00 0.02 0.00 0.00 55.36 55.57 1xqq s GLN 41 Cb 0.14 -3.71 0.05 0.00 1.00 0.00 0.00 33.01 30.49 1xqq s GLN 41 CO 0.86 -0.48 -0.05 0.50 -2.12 0.00 0.00 175.29 174.00 1xqq s ARG 42 N 2.42 2.45 -0.37 2.91 3.52 -0.40 -4.97 118.95 124.51 1xqq s ARG 42 Ca 0.22 -1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 54.35 1xqq s ARG 42 Cb -0.15 -3.05 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1xqq s ARG 42 CO 0.11 -0.56 0.82 -0.51 -0.81 0.00 0.00 175.30 174.34 1xqq s LEU 43 N 1.22 4.11 -0.07 -0.88 1.43 -1.26 -0.10 118.68 123.13 1xqq s LEU 43 Ca -0.05 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1xqq s LEU 43 Cb -0.19 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1xqq s LEU 43 CO -0.03 -0.78 0.18 -0.63 0.23 0.00 0.00 176.35 175.32 1xqq s ILE 44 N 3.21 5.45 -0.20 -0.59 -1.09 0.39 -1.59 121.20 126.78 1xqq s ILE 44 Ca 0.33 0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1xqq s ILE 44 Cb -0.13 -3.47 0.05 0.00 -1.58 0.00 0.00 42.46 37.34 1xqq s ILE 44 CO 0.18 0.51 -0.04 0.12 -1.23 0.00 0.00 174.94 174.48 1xqq s PHE 45 N -1.14 1.86 0.00 3.97 5.36 -0.89 -0.43 117.98 126.71 1xqq s PHE 45 Ca 0.20 -1.32 0.00 0.00 -0.96 0.00 0.00 56.93 54.85 1xqq s PHE 45 Cb -0.13 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 1xqq s PHE 45 CO 0.10 -0.68 0.00 0.00 -1.46 0.00 0.00 175.22 173.18 1xqq n ALA 46 N 4.82 0.00 -2.47 11.12 0.00 -1.26 -3.31 120.51 129.40 1xqq n ALA 46 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 1.29 3.25 0.00 0.00 -1.26 -5.06 105.19 103.42 1xqq n GLY 47 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N -0.80 0.55 0.16 1.61 2.20 -1.21 -5.16 119.74 117.10 1xqq s LYS 48 Ca 0.17 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 1xqq s LYS 48 Cb 0.28 0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.78 1xqq s LYS 48 CO -0.08 -0.12 1.18 -1.14 -0.36 0.00 0.00 175.35 174.83 1xqq s GLN 49 N -0.54 4.50 0.33 4.03 0.74 -1.26 -2.09 119.66 125.37 1xqq s GLN 49 Ca -0.07 1.83 -0.13 0.00 0.05 0.00 0.00 55.36 57.04 1xqq s GLN 49 Cb -0.04 -3.26 -0.08 0.00 1.10 0.00 0.00 33.01 30.73 1xqq s GLN 49 CO 0.02 -0.09 0.72 -0.51 -0.55 0.00 0.00 175.29 174.89 1xqq s LEU 50 N -0.06 4.02 -0.04 3.68 1.43 -0.62 -4.93 118.68 122.16 1xqq s LEU 50 Ca 0.53 1.20 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1xqq s LEU 50 Cb -0.32 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1xqq s LEU 50 CO 0.35 -0.23 -0.11 -1.61 0.23 0.00 0.00 176.35 174.98 1xqq s GLU 51 N -3.16 1.31 0.17 1.70 2.02 -1.26 -4.77 118.70 114.70 1xqq s GLU 51 Ca 0.53 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 1xqq s GLU 51 Cb -0.10 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.96 1xqq s GLU 51 CO 0.21 0.09 1.54 -0.44 0.02 0.00 0.00 175.26 176.68 1xqq h ASP 52 N 6.62 -2.00 -0.13 -0.19 3.32 -1.97 -2.52 116.42 119.56 1xqq h ASP 52 Ca -0.33 0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xqq h ASP 52 Cb 1.17 0.90 0.00 0.00 0.22 0.00 0.00 39.33 41.63 1xqq h ASP 52 CO 0.48 -0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.36 1xqq n GLY 53 N -1.30 0.53 3.63 2.75 0.00 -1.26 -2.30 105.19 107.24 1xqq n GLY 53 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.61 2.25 0.45 1.61 0.52 -0.95 -4.94 118.95 116.28 1xqq s ARG 54 Ca 0.10 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1xqq s ARG 54 Cb 0.06 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.41 1xqq s ARG 54 CO 0.05 0.37 0.19 0.25 0.02 0.00 0.00 175.30 176.18 1xqq n THR 55 N -0.83 0.00 0.13 0.02 -2.24 -1.26 -2.18 114.28 107.93 1xqq n THR 55 Ca -0.07 -1.91 -0.01 0.00 -2.27 0.00 0.00 64.05 59.80 1xqq n THR 55 Cb 0.59 0.12 0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1xqq n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 56 N 0.00 0.00 -1.36 3.22 3.38 -1.49 -3.07 115.31 115.98 1xqq h LEU 56 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1xqq h LEU 56 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xqq h LEU 56 CO 0.52 0.63 -0.24 0.28 0.09 0.00 0.00 178.44 179.72 1xqq h SER 57 N 0.00 0.12 -0.28 -0.43 0.02 -1.75 0.49 113.55 111.73 1xqq h SER 57 Ca -0.01 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1xqq h SER 57 Cb 1.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1xqq h SER 57 CO 0.08 0.37 0.01 0.44 -1.14 0.00 0.00 176.83 176.59 1xqq h ASP 58 N 0.12 0.47 0.32 3.07 3.32 -1.87 -3.16 116.42 118.67 1xqq h ASP 58 Ca 0.02 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1xqq h ASP 58 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xqq h ASP 58 CO 0.03 0.65 -0.52 -1.22 -1.72 0.00 0.00 179.24 176.46 1xqq n TYR 59 N -4.62 0.00 -3.33 4.55 4.01 -1.18 -4.97 117.16 111.63 1xqq n TYR 59 Ca -0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 1xqq n TYR 59 Cb 0.24 -0.16 0.08 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.19 -3.96 -4.49 7.72 2.85 0.02 -4.99 115.26 111.22 1xqq n ASN 60 Ca 0.07 -0.65 -0.43 0.00 -0.11 0.00 0.00 54.58 53.46 1xqq n ASN 60 Cb 0.35 -5.09 -0.07 0.00 1.24 0.00 0.00 39.78 36.21 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xqq s ILE 61 N -3.37 4.88 0.76 -1.44 1.01 -0.36 -5.04 121.20 117.64 1xqq s ILE 61 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1xqq s ILE 61 Cb -0.02 -4.21 0.16 0.00 0.01 0.00 0.00 42.46 38.39 1xqq s ILE 61 CO 0.72 -0.65 1.04 0.00 0.00 0.00 0.00 174.94 176.05 1xqq n GLN 62 N 6.14 -0.46 -1.64 2.79 6.02 -1.26 -4.71 117.38 124.26 1xqq n GLN 62 Ca -0.04 -2.33 -0.42 0.00 -0.01 0.00 0.00 57.00 54.19 1xqq n GLN 62 Cb 0.47 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.89 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -3.03 1.63 -1.35 -1.09 2.85 -1.26 -3.64 118.16 112.26 1xqq n LYS 63 Ca 0.15 0.58 -0.09 0.00 -1.05 0.00 0.00 58.31 57.90 1xqq n LYS 63 Cb 0.55 -2.11 -0.04 0.00 -0.65 0.00 0.00 35.03 32.78 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 0.38 -0.67 -3.25 -1.58 1.02 -0.43 -4.98 120.64 111.13 1xqq n GLU 64 Ca 0.08 0.80 -0.39 0.00 -0.02 0.00 0.00 57.16 57.63 1xqq n GLU 64 Cb 0.37 -4.71 -0.06 0.00 -0.02 0.00 0.00 31.44 27.02 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 -2.87 6.93 -0.30 1.62 0.01 -1.24 -4.83 113.70 113.01 1xqq s SER 65 Ca 0.00 1.10 -0.16 0.00 1.31 0.00 0.00 55.95 58.20 1xqq s SER 65 Cb 0.00 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1xqq s SER 65 CO 0.00 0.12 0.43 -0.89 0.41 0.00 0.00 173.24 173.31 1xqq s THR 66 N -0.24 5.12 0.11 1.44 2.01 -1.26 -1.86 115.64 120.95 1xqq s THR 66 Ca 0.29 0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.79 1xqq s THR 66 Cb -0.18 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1xqq s THR 66 CO 0.16 -0.00 0.01 -0.76 -0.69 0.00 0.00 174.62 173.34 1xqq s LEU 67 N 2.18 3.47 -0.07 4.42 1.02 0.24 -4.65 118.68 125.29 1xqq s LEU 67 Ca 0.16 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 54.09 1xqq s LEU 67 Cb -0.16 -2.18 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 1xqq s LEU 67 CO 0.11 0.15 0.00 -1.00 0.02 0.00 0.00 176.35 175.63 1xqq s HIS 68 N -1.43 3.14 -0.40 0.29 3.76 0.42 -0.13 115.29 120.94 1xqq s HIS 68 Ca 0.27 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 55.26 1xqq s HIS 68 Cb -0.11 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 31.87 1xqq s HIS 68 CO 0.19 0.46 0.24 -1.17 -0.85 0.00 0.00 174.74 173.61 1xqq s LEU 69 N -0.98 4.99 -0.09 0.89 2.96 -0.05 -0.46 118.68 125.93 1xqq s LEU 69 Ca 0.14 -1.36 -0.15 0.00 -0.22 0.00 0.00 54.13 52.55 1xqq s LEU 69 Cb -0.11 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1xqq s LEU 69 CO 0.03 -0.49 0.37 -0.69 -1.32 0.00 0.00 176.35 174.25 1xqq s VAL 70 N 1.45 5.19 -0.04 1.68 1.01 0.86 -2.94 120.40 127.62 1xqq s VAL 70 Ca 0.02 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1xqq s VAL 70 Cb -0.22 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1xqq s VAL 70 CO 0.03 0.46 1.12 -0.76 0.00 0.00 0.00 175.10 175.95 1xqq s LEU 71 N -0.16 4.30 0.00 3.92 1.43 -1.26 -1.28 118.68 125.64 1xqq s LEU 71 Ca 0.21 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1xqq s LEU 71 Cb -0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1xqq s LEU 71 CO 0.09 -0.48 0.21 0.54 0.23 0.00 0.00 176.35 176.94 1xqq n ARG 72 N 4.72 0.00 0.05 1.70 1.74 -0.22 -4.67 116.66 119.99 1xqq n ARG 72 Ca 0.09 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.97 1xqq n ARG 72 Cb 0.48 -0.66 -0.13 0.00 -1.02 0.00 0.00 32.46 31.13 1xqq n ARG 72 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1xqq h LEU 73 N 0.00 0.68 -9.93 0.55 5.85 -1.90 -3.45 115.31 107.11 1xqq h LEU 73 Ca 0.00 -0.83 -0.51 0.00 0.84 0.00 0.00 57.88 57.37 1xqq h LEU 73 Cb 0.00 -0.21 0.06 0.00 0.37 0.00 0.00 40.66 40.88 1xqq h LEU 73 CO 0.00 1.44 0.55 -0.13 -0.34 0.00 0.00 178.44 179.96 1xqq s ARG 74 N -2.94 4.07 -0.11 1.25 0.52 -1.26 -5.00 118.95 115.48 1xqq s ARG 74 Ca -0.12 1.97 -0.19 0.00 -0.52 0.00 0.00 55.73 56.87 1xqq s ARG 74 Cb 0.04 -2.76 -0.17 0.00 0.52 0.00 0.00 34.95 32.58 1xqq s ARG 74 CO 0.87 -0.34 0.57 0.78 0.02 0.00 0.00 175.30 177.20 1xqq h GLY 75 N 2.76 -0.04 0.00 -3.53 0.00 -1.88 -3.42 103.07 96.97 1xqq h GLY 75 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xqq h GLY 75 CO 0.63 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.77