#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 4.35 0.30 3.17 0.74 -1.26 -2.07 119.66 124.89 1xqq s GLN 2 Ca 0.00 1.71 0.10 0.00 0.05 0.00 0.00 55.36 57.22 1xqq s GLN 2 Cb 0.00 -3.56 -0.06 0.00 1.10 0.00 0.00 33.01 30.50 1xqq s GLN 2 CO 0.00 -0.46 -0.15 0.96 -0.55 0.00 0.00 175.29 175.09 1xqq s ILE 3 N 2.22 2.29 -0.14 -2.34 -4.36 -0.33 -2.18 121.20 116.35 1xqq s ILE 3 Ca 0.57 -2.31 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1xqq s ILE 3 Cb -0.25 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.06 1xqq s ILE 3 CO 0.22 -0.34 -0.22 -0.36 0.24 0.00 0.00 174.94 174.48 1xqq s PHE 4 N -2.61 2.67 -0.31 1.37 0.08 -0.68 -1.55 117.98 116.96 1xqq s PHE 4 Ca 0.30 -1.31 -0.05 0.00 0.12 0.00 0.00 56.93 55.99 1xqq s PHE 4 Cb -0.02 -1.81 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1xqq s PHE 4 CO 0.15 -0.59 0.05 0.08 -0.10 0.00 0.00 175.22 174.81 1xqq s VAL 5 N 0.79 3.54 0.06 -0.44 1.01 -0.67 -0.15 120.40 124.54 1xqq s VAL 5 Ca -0.08 -1.06 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 1xqq s VAL 5 Cb -0.16 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1xqq s VAL 5 CO -0.01 -0.05 0.61 -0.75 0.00 0.00 0.00 175.10 174.90 1xqq s LYS 6 N 1.38 4.29 0.78 2.72 2.20 -0.17 -2.32 119.74 128.62 1xqq s LYS 6 Ca -0.01 0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1xqq s LYS 6 Cb -0.19 -3.27 0.13 0.00 -1.51 0.00 0.00 37.83 32.99 1xqq s LYS 6 CO 0.01 0.55 1.08 0.95 -0.36 0.00 0.00 175.35 177.58 1xqq s THR 7 N -0.84 2.15 0.10 3.43 -4.23 -1.04 -1.71 115.64 113.51 1xqq s THR 7 Ca 0.31 -0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 1xqq s THR 7 Cb -0.20 -2.79 -0.20 0.00 1.34 0.00 0.00 72.50 70.66 1xqq s THR 7 CO 0.20 0.00 1.26 0.25 -0.54 0.00 0.00 174.62 175.79 1xqq h LEU 8 N -0.83 0.76 0.13 4.79 5.85 -1.93 -3.32 115.31 120.76 1xqq h LEU 8 Ca -0.41 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 57.72 1xqq h LEU 8 Cb 1.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1xqq h LEU 8 CO 0.44 1.38 -0.06 0.71 -0.34 0.00 0.00 178.44 180.57 1xqq h THR 9 N 0.35 1.03 0.00 1.05 1.35 -1.96 -3.49 112.91 111.25 1xqq h THR 9 Ca -0.10 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1xqq h THR 9 Cb 1.59 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1xqq h THR 9 CO 0.18 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1xqq n GLY 10 N 0.29 -0.10 3.89 5.82 0.00 -1.25 -5.15 105.19 108.70 1xqq n GLY 10 Ca -0.08 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 3.58 -0.46 1.61 2.20 -1.26 -4.88 119.74 120.53 1xqq s LYS 11 Ca 0.00 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.29 1xqq s LYS 11 Cb 0.00 -3.00 0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1xqq s LYS 11 CO 0.00 0.58 0.60 0.99 -0.36 0.00 0.00 175.35 177.16 1xqq s THR 12 N -1.45 4.89 -0.01 3.43 2.01 -1.26 -2.48 115.64 120.77 1xqq s THR 12 Ca 0.33 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1xqq s THR 12 Cb -0.13 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1xqq s THR 12 CO 0.21 -0.64 1.16 -0.63 -0.69 0.00 0.00 174.62 174.02 1xqq s ILE 13 N 2.63 4.30 -0.15 1.82 1.01 -0.98 -4.95 121.20 124.87 1xqq s ILE 13 Ca 0.18 1.64 -0.01 0.00 0.00 0.00 0.00 60.65 62.46 1xqq s ILE 13 Cb -0.16 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1xqq s ILE 13 CO 0.15 0.07 -0.12 0.42 0.00 0.00 0.00 174.94 175.46 1xqq s THR 14 N 1.60 3.03 -0.05 2.92 -4.23 -1.26 -1.67 115.64 115.98 1xqq s THR 14 Ca 0.56 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 60.45 1xqq s THR 14 Cb -0.25 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1xqq s THR 14 CO 0.25 0.51 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.94 1xqq s LEU 15 N 0.62 1.80 -0.82 4.79 1.43 -0.60 -4.98 118.68 120.92 1xqq s LEU 15 Ca -0.07 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1xqq s LEU 15 Cb -0.15 -0.86 0.17 0.00 0.03 0.00 0.00 46.19 45.37 1xqq s LEU 15 CO 0.03 0.09 0.87 -0.70 0.23 0.00 0.00 176.35 176.87 1xqq s GLU 16 N 0.31 3.51 0.31 1.70 2.56 -1.25 -1.19 118.70 124.64 1xqq s GLU 16 Ca -0.08 -2.05 0.05 0.00 0.00 0.00 0.00 54.97 52.89 1xqq s GLU 16 Cb -0.13 -4.57 -0.06 0.00 2.00 0.00 0.00 34.13 31.37 1xqq s GLU 16 CO 0.03 -1.49 0.00 0.14 -0.56 0.00 0.00 175.26 173.38 1xqq s VAL 17 N 1.40 1.45 0.14 3.70 -7.23 -0.88 -4.83 120.40 114.16 1xqq s VAL 17 Ca 0.22 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1xqq s VAL 17 Cb -0.11 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1xqq s VAL 17 CO -0.07 -0.15 0.21 -1.61 -0.31 0.00 0.00 175.10 173.17 1xqq s GLU 18 N -3.80 3.21 0.00 4.82 0.41 -1.26 -0.03 118.70 122.05 1xqq s GLU 18 Ca 0.33 -0.69 0.14 0.00 -0.41 0.00 0.00 54.97 54.33 1xqq s GLU 18 Cb 0.07 -2.84 0.70 0.00 -1.78 0.00 0.00 34.13 30.27 1xqq s GLU 18 CO 0.14 0.52 1.35 -0.35 -0.49 0.00 0.00 175.26 176.43 1xqq n PRO 19 N -0.34 0.21 -0.15 0.39 -0.04 -1.26 -0.77 135.00 133.04 1xqq n PRO 19 Ca -0.07 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1xqq n PRO 19 Cb 0.54 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.27 3.16 -4.77 3.54 7.64 -1.26 -2.22 113.62 118.45 1xqq n SER 20 Ca 0.07 -1.95 -0.37 0.00 1.01 0.00 0.00 58.87 57.62 1xqq n SER 20 Cb 0.10 -0.20 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.56 5.82 0.41 6.43 1.01 0.05 -4.82 116.67 124.02 1xqq s ASP 21 Ca 0.37 2.38 -0.04 0.00 0.71 0.00 0.00 52.55 55.97 1xqq s ASP 21 Cb 0.22 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1xqq s ASP 21 CO 0.31 -1.16 0.69 0.42 0.21 0.00 0.00 175.17 175.64 1xqq s THR 22 N -1.53 4.96 0.36 -1.27 -4.23 -1.26 -1.68 115.64 110.99 1xqq s THR 22 Ca 0.68 0.05 0.08 0.00 -1.18 0.00 0.00 61.69 61.31 1xqq s THR 22 Cb -0.30 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 69.85 1xqq s THR 22 CO 0.36 -0.68 1.88 0.40 -0.54 0.00 0.00 174.62 176.04 1xqq h ILE 23 N 0.58 1.19 -0.77 2.99 1.08 -0.21 -1.20 117.51 121.18 1xqq h ILE 23 Ca -0.48 -0.86 0.15 0.00 -0.39 0.00 0.00 64.86 63.29 1xqq h ILE 23 Cb 1.20 1.19 -0.15 0.00 -3.07 0.00 0.00 36.82 36.00 1xqq h ILE 23 CO 0.62 0.27 -0.23 -0.08 -0.69 0.00 0.00 178.15 178.05 1xqq h GLU 24 N 0.29 -0.02 0.00 2.37 4.81 -1.30 -0.60 114.58 120.13 1xqq h GLU 24 Ca 0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1xqq h GLU 24 Cb 0.41 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1xqq h GLU 24 CO 0.02 -0.02 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.29 1xqq h ASN 25 N -0.02 0.00 -0.17 1.04 2.35 -1.51 -1.84 115.58 115.42 1xqq h ASN 25 Ca 0.36 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.98 1xqq h ASN 25 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1xqq h ASN 25 CO -0.80 0.09 -0.37 0.58 -1.65 0.00 0.00 177.43 175.27 1xqq h VAL 26 N 0.00 1.34 -0.06 2.81 2.07 -1.06 0.39 116.25 121.74 1xqq h VAL 26 Ca -0.00 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1xqq h VAL 26 Cb 0.77 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1xqq h VAL 26 CO 0.01 0.50 -0.04 0.11 0.02 0.00 0.00 177.57 178.17 1xqq h LYS 27 N 0.21 0.08 -0.02 1.57 1.57 -0.98 0.28 116.57 119.28 1xqq h LYS 27 Ca 0.00 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1xqq h LYS 27 Cb 0.98 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 1xqq h LYS 27 CO 0.08 0.13 -0.87 0.00 -0.57 0.00 0.00 179.45 178.22 1xqq h ALA 28 N 1.88 0.47 -0.24 3.86 0.00 -1.23 -0.45 119.26 123.56 1xqq h ALA 28 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xqq h ALA 28 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xqq h ALA 28 CO 0.01 0.83 0.03 -0.22 0.00 0.00 0.00 179.25 179.89 1xqq h LYS 29 N 0.20 0.11 -0.81 0.00 1.63 -0.35 0.24 116.57 117.59 1xqq h LYS 29 Ca -0.06 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1xqq h LYS 29 Cb 1.49 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.04 1xqq h LYS 29 CO 0.14 0.07 0.50 0.82 -3.45 0.00 0.00 179.45 177.54 1xqq h ILE 30 N 0.11 1.07 -0.77 2.00 2.04 -1.02 0.11 117.51 121.04 1xqq h ILE 30 Ca 0.11 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1xqq h ILE 30 Cb 0.12 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1xqq h ILE 30 CO -0.16 0.17 0.30 -0.61 0.00 0.00 0.00 178.15 177.85 1xqq h GLN 31 N 0.95 1.15 0.03 2.37 4.15 -0.49 -0.81 115.11 122.46 1xqq h GLN 31 Ca 0.34 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1xqq h GLN 31 Cb 0.10 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1xqq h GLN 31 CO -0.15 0.93 -0.02 -0.44 -1.93 0.00 0.00 178.83 177.23 1xqq h ASP 32 N 1.12 -0.04 0.20 -0.69 5.19 -0.75 -2.47 116.42 118.98 1xqq h ASP 32 Ca 0.26 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1xqq h ASP 32 Cb 0.22 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1xqq h ASP 32 CO -0.02 0.36 -0.10 0.11 -3.12 0.00 0.00 179.24 176.48 1xqq h LYS 33 N -0.45 -0.26 0.04 3.56 1.79 -0.81 -3.40 116.57 117.03 1xqq h LYS 33 Ca -0.00 0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 1xqq h LYS 33 Cb 0.42 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1xqq h LYS 33 CO 0.01 -0.17 -1.01 0.93 -1.08 0.00 0.00 179.45 178.12 1xqq h GLU 34 N -0.47 0.35 -2.10 3.15 4.39 -1.31 -3.49 114.58 115.10 1xqq h GLU 34 Ca -0.03 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1xqq h GLU 34 Cb 0.21 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xqq h GLU 34 CO 0.05 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.43 1xqq n GLY 35 N 1.09 0.90 2.83 -3.84 0.00 -0.93 -5.03 105.19 100.20 1xqq n GLY 35 Ca -0.07 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.70 0.65 0.58 -0.61 1.01 -1.25 -5.01 121.20 113.87 1xqq s ILE 36 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1xqq s ILE 36 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1xqq s ILE 36 CO 0.00 0.28 1.05 -2.16 0.00 0.00 0.00 174.94 174.12 1xqq s PRO 37 N 1.86 3.37 0.27 2.79 0.04 -1.26 -3.52 135.00 138.55 1xqq s PRO 37 Ca 0.05 1.20 0.21 0.00 0.04 0.00 0.00 61.00 62.50 1xqq s PRO 37 Cb -0.13 -2.04 1.01 0.00 0.04 0.00 0.00 34.50 33.38 1xqq s PRO 37 CO -0.07 -0.77 1.64 -0.35 0.04 0.00 0.00 177.00 177.49 1xqq n PRO 38 N -1.95 0.15 0.02 0.56 -0.04 -1.26 -1.97 135.00 130.51 1xqq n PRO 38 Ca 0.09 0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 64.05 1xqq n PRO 38 Cb 0.53 -1.88 0.21 0.00 -0.04 0.00 0.00 33.50 32.32 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.46 0.07 3.54 3.32 -1.98 -3.35 116.42 118.48 1xqq h ASP 39 Ca 0.00 -0.15 -0.37 0.00 0.02 0.00 0.00 57.03 56.52 1xqq h ASP 39 Cb 0.15 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1xqq h ASP 39 CO 0.00 0.71 -2.28 0.00 -1.72 0.00 0.00 179.24 175.96 1xqq n GLN 40 N -4.12 0.68 -2.50 3.56 6.02 -0.83 -4.68 117.38 115.50 1xqq n GLN 40 Ca -0.00 0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.75 1xqq n GLN 40 Cb 0.40 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.53 4.61 -0.07 -1.09 -0.21 -1.09 -0.20 119.66 119.07 1xqq s GLN 41 Ca -0.25 1.74 0.05 0.00 0.02 0.00 0.00 55.36 56.92 1xqq s GLN 41 Cb 0.08 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 1xqq s GLN 41 CO 0.70 0.11 -0.25 0.50 -2.12 0.00 0.00 175.29 174.23 1xqq s ARG 42 N -0.64 2.74 -0.05 2.91 3.52 -0.19 -4.80 118.95 122.43 1xqq s ARG 42 Ca 0.48 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1xqq s ARG 42 Cb -0.30 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1xqq s ARG 42 CO 0.36 0.30 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.62 1xqq s LEU 43 N 0.03 3.41 -0.02 -0.88 1.43 -1.26 -0.79 118.68 120.60 1xqq s LEU 43 Ca -0.10 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1xqq s LEU 43 Cb -0.15 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1xqq s LEU 43 CO 0.06 0.33 -0.17 -0.63 0.23 0.00 0.00 176.35 176.17 1xqq s ILE 44 N -0.94 1.35 -0.16 -0.59 1.01 0.00 -1.45 121.20 120.42 1xqq s ILE 44 Ca 0.15 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1xqq s ILE 44 Cb -0.11 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1xqq s ILE 44 CO 0.05 0.38 -0.19 0.12 0.00 0.00 0.00 174.94 175.30 1xqq s PHE 45 N -0.26 2.61 0.00 3.97 5.36 -0.11 -0.97 117.98 128.59 1xqq s PHE 45 Ca 0.03 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.52 1xqq s PHE 45 Cb -0.08 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1xqq s PHE 45 CO 0.00 -0.73 0.00 0.00 -1.46 0.00 0.00 175.22 173.03 1xqq n ALA 46 N 4.52 0.00 -0.97 11.12 0.00 -1.26 -2.42 120.51 131.50 1xqq n ALA 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xqq n ALA 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.00 3.55 0.00 0.00 -1.26 -5.08 105.19 103.40 1xqq n GLY 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.29 0.37 1.61 2.20 -1.01 -5.13 119.74 120.07 1xqq s LYS 48 Ca 0.00 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1xqq s LYS 48 Cb 0.00 -2.35 -0.05 0.00 -1.51 0.00 0.00 37.83 33.92 1xqq s LYS 48 CO 0.00 0.56 0.67 -0.65 -0.36 0.00 0.00 175.35 175.56 1xqq s GLN 49 N -1.64 3.65 -0.13 4.03 -0.21 -1.26 -0.93 119.66 123.18 1xqq s GLN 49 Ca 0.17 0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.75 1xqq s GLN 49 Cb -0.11 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1xqq s GLN 49 CO 0.09 0.05 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.59 1xqq s LEU 50 N -3.92 2.22 0.33 2.90 1.43 -0.53 -4.85 118.68 116.26 1xqq s LEU 50 Ca 0.47 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 50 Cb -0.10 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1xqq s LEU 50 CO 0.33 0.12 0.38 -0.70 0.23 0.00 0.00 176.35 176.71 1xqq s GLU 51 N 0.61 2.92 -0.02 1.70 2.56 -1.26 -4.53 118.70 120.69 1xqq s GLU 51 Ca -0.11 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.50 1xqq s GLU 51 Cb -0.16 -2.65 -0.12 0.00 2.00 0.00 0.00 34.13 33.19 1xqq s GLU 51 CO 0.03 0.08 0.88 -0.44 -0.56 0.00 0.00 175.26 175.25 1xqq h ASP 52 N 1.08 -0.48 -0.57 -1.70 3.32 -1.97 -3.29 116.42 112.82 1xqq h ASP 52 Ca -0.45 -0.08 -0.30 0.00 0.02 0.00 0.00 57.03 56.22 1xqq h ASP 52 Cb 1.25 0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.75 1xqq h ASP 52 CO 0.56 -0.05 0.39 0.61 -1.72 0.00 0.00 179.24 179.03 1xqq n GLY 53 N 0.07 3.52 3.79 2.75 0.00 -1.26 -0.97 105.19 113.10 1xqq n GLY 53 Ca -0.09 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.90 2.69 0.63 1.61 0.52 -1.24 -4.97 118.95 116.28 1xqq s ARG 54 Ca 0.33 -1.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1xqq s ARG 54 Cb 0.27 -2.42 0.07 0.00 0.52 0.00 0.00 34.95 33.40 1xqq s ARG 54 CO 0.06 0.27 0.87 0.95 0.02 0.00 0.00 175.30 177.47 1xqq s THR 55 N -2.25 2.41 0.12 0.02 -4.23 -1.26 -1.44 115.64 109.01 1xqq s THR 55 Ca 0.35 -0.64 -0.16 0.00 -1.18 0.00 0.00 61.69 60.07 1xqq s THR 55 Cb -0.06 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 1xqq s THR 55 CO 0.24 0.00 1.58 -0.07 -0.54 0.00 0.00 174.62 175.83 1xqq h LEU 56 N -0.19 0.62 -1.42 4.79 3.38 -1.31 -3.20 115.31 117.97 1xqq h LEU 56 Ca -0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.25 1xqq h LEU 56 Cb 1.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.47 0.75 -0.10 0.28 0.09 0.00 0.00 178.44 179.93 1xqq h SER 57 N 0.47 0.24 -0.75 -0.43 0.02 -1.54 0.90 113.55 112.46 1xqq h SER 57 Ca 0.11 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1xqq h SER 57 Cb 0.41 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1xqq h SER 57 CO 0.01 0.38 0.47 0.44 -1.14 0.00 0.00 176.83 176.98 1xqq h ASP 58 N 0.25 0.76 0.73 3.07 3.32 -1.87 -0.93 116.42 121.75 1xqq h ASP 58 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xqq h ASP 58 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xqq h ASP 58 CO 0.02 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.83 1xqq n TYR 59 N -4.65 0.68 -3.00 4.55 4.01 -1.07 -4.92 117.16 112.76 1xqq n TYR 59 Ca 0.09 0.26 -0.13 0.00 -0.16 0.00 0.00 57.90 57.96 1xqq n TYR 59 Cb 0.11 -0.93 0.04 0.00 -0.31 0.00 0.00 39.34 38.25 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 -2.12 -4.40 -4.71 7.72 4.13 -0.35 -5.04 115.26 110.49 1xqq n ASN 60 Ca 0.03 -0.26 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 1xqq n ASN 60 Cb 0.23 -3.06 -0.03 0.00 -1.54 0.00 0.00 39.78 35.38 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 -3.10 4.86 0.16 2.41 1.01 0.23 -4.97 121.20 121.80 1xqq s ILE 61 Ca 0.29 2.04 0.02 0.00 0.00 0.00 0.00 60.65 63.00 1xqq s ILE 61 Cb -0.13 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1xqq s ILE 61 CO 0.35 0.13 0.07 0.00 0.00 0.00 0.00 174.94 175.50 1xqq n GLN 62 N 4.10 0.67 -2.01 2.79 10.64 -1.26 -3.81 117.38 128.49 1xqq n GLN 62 Ca 0.06 -1.35 -0.41 0.00 -1.83 0.00 0.00 57.00 53.47 1xqq n GLN 62 Cb 0.51 0.81 -0.02 0.00 -0.86 0.00 0.00 30.24 30.67 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xqq s LYS 63 N -2.60 4.27 -1.22 2.61 -2.85 -1.26 -2.83 119.74 115.86 1xqq s LYS 63 Ca 0.10 2.31 -0.04 0.00 -1.00 0.00 0.00 55.97 57.33 1xqq s LYS 63 Cb 0.00 -3.09 -0.01 0.00 -2.06 0.00 0.00 37.83 32.67 1xqq s LYS 63 CO 0.07 -0.39 0.80 0.39 0.10 0.00 0.00 175.35 176.32 1xqq n GLU 64 N 1.94 -4.19 -3.71 1.78 1.02 -0.93 -5.02 120.64 111.53 1xqq n GLU 64 Ca 0.05 0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 57.56 1xqq n GLU 64 Cb 0.40 -5.25 -0.04 0.00 -0.02 0.00 0.00 31.44 26.53 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 -4.07 6.45 -0.37 1.62 0.01 -1.13 -4.84 113.70 111.38 1xqq s SER 65 Ca 0.15 0.51 -0.12 0.00 1.31 0.00 0.00 55.95 57.81 1xqq s SER 65 Cb -0.04 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1xqq s SER 65 CO 0.79 0.05 0.22 -0.89 0.41 0.00 0.00 173.24 173.82 1xqq s THR 66 N -1.67 4.73 0.28 1.44 2.01 -1.26 -1.68 115.64 119.49 1xqq s THR 66 Ca 0.40 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.71 1xqq s THR 66 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1xqq s THR 66 CO 0.26 -0.20 0.40 -0.76 -0.69 0.00 0.00 174.62 173.63 1xqq s LEU 67 N 1.59 4.18 -0.10 4.42 1.43 0.79 -4.60 118.68 126.39 1xqq s LEU 67 Ca 0.03 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1xqq s LEU 67 Cb -0.19 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1xqq s LEU 67 CO 0.07 -0.21 -0.20 -2.28 0.23 0.00 0.00 176.35 173.96 1xqq s HIS 68 N -2.06 2.25 -0.24 0.29 5.65 -0.14 -1.00 115.29 120.04 1xqq s HIS 68 Ca 0.38 -0.98 -0.16 0.00 0.25 0.00 0.00 55.06 54.55 1xqq s HIS 68 Cb -0.09 -1.55 -0.03 0.00 -1.18 0.00 0.00 32.58 29.73 1xqq s HIS 68 CO 0.30 -0.44 0.44 -1.17 -0.65 0.00 0.00 174.74 173.21 1xqq s LEU 69 N 0.63 4.09 0.20 8.88 2.96 -0.69 -0.81 118.68 133.93 1xqq s LEU 69 Ca -0.13 0.46 0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1xqq s LEU 69 Cb -0.16 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1xqq s LEU 69 CO 0.04 -0.18 -0.21 0.68 -1.32 0.00 0.00 176.35 175.35 1xqq s VAL 70 N 1.89 2.20 -0.30 1.68 -7.23 0.03 -4.24 120.40 114.42 1xqq s VAL 70 Ca 0.19 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1xqq s VAL 70 Cb -0.15 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1xqq s VAL 70 CO 0.09 -0.25 0.19 -0.76 -0.31 0.00 0.00 175.10 174.07 1xqq s LEU 71 N -2.86 4.17 0.72 1.32 1.43 -1.26 -1.03 118.68 121.17 1xqq s LEU 71 Ca 0.21 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1xqq s LEU 71 Cb -0.06 -2.09 0.13 0.00 0.03 0.00 0.00 46.19 44.19 1xqq s LEU 71 CO 0.10 -0.14 0.99 0.00 0.23 0.00 0.00 176.35 177.53 1xqq s ARG 72 N 1.71 1.70 0.51 1.70 1.70 0.72 -4.94 118.95 122.06 1xqq s ARG 72 Ca 0.06 -1.13 0.05 0.00 -0.47 0.00 0.00 55.73 54.25 1xqq s ARG 72 Cb -0.17 -2.34 0.01 0.00 -0.57 0.00 0.00 34.95 31.89 1xqq s ARG 72 CO 0.09 -1.43 0.30 -0.51 -1.08 0.00 0.00 175.30 172.68 1xqq s LEU 73 N -5.13 2.72 0.25 -1.89 1.43 -1.26 -4.69 118.68 110.12 1xqq s LEU 73 Ca 0.66 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1xqq s LEU 73 Cb -0.05 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.88 1xqq s LEU 73 CO 0.44 -0.96 1.35 -0.60 0.23 0.00 0.00 176.35 176.81 1xqq s ARG 74 N -4.15 4.35 0.00 1.70 3.52 -1.26 -4.68 118.95 118.43 1xqq s ARG 74 Ca 0.31 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 1xqq s ARG 74 Cb -0.01 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1xqq s ARG 74 CO 0.18 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1xqq n GLY 75 N 1.89 -0.54 0.11 8.12 0.00 -1.26 -5.24 105.19 108.27 1xqq n GLY 75 Ca 0.05 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93