#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 4.38 0.11 3.17 -0.21 -1.26 0.07 119.66 125.92 1xqq s GLN 2 Ca 0.00 0.92 0.11 0.00 0.02 0.00 0.00 55.36 56.41 1xqq s GLN 2 Cb 0.00 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1xqq s GLN 2 CO 0.00 0.54 -0.27 0.96 -2.12 0.00 0.00 175.29 174.41 1xqq s ILE 3 N -0.89 2.23 -0.29 1.08 -4.36 -1.01 -0.50 121.20 117.45 1xqq s ILE 3 Ca 0.33 -1.66 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 1xqq s ILE 3 Cb -0.21 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1xqq s ILE 3 CO 0.22 0.16 0.19 -0.36 0.24 0.00 0.00 174.94 175.39 1xqq s PHE 4 N -0.99 3.21 -0.22 1.37 0.08 0.48 -2.56 117.98 119.35 1xqq s PHE 4 Ca 0.13 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.13 1xqq s PHE 4 Cb -0.10 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 1xqq s PHE 4 CO 0.05 -0.22 0.02 0.08 -0.10 0.00 0.00 175.22 175.05 1xqq s VAL 5 N 1.74 4.06 -0.07 -0.44 1.01 0.64 -0.62 120.40 126.70 1xqq s VAL 5 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1xqq s VAL 5 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1xqq s VAL 5 CO 0.10 0.39 0.11 -0.75 0.00 0.00 0.00 175.10 174.95 1xqq s LYS 6 N 1.27 3.27 0.83 2.72 2.20 -0.17 -1.02 119.74 128.85 1xqq s LYS 6 Ca 0.04 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 1xqq s LYS 6 Cb -0.15 -3.03 0.15 0.00 -1.51 0.00 0.00 37.83 33.29 1xqq s LYS 6 CO 0.02 0.72 1.16 0.95 -0.36 0.00 0.00 175.35 177.84 1xqq s THR 7 N -1.07 2.09 0.08 3.43 -4.23 -0.15 0.31 115.64 116.10 1xqq s THR 7 Ca 0.18 -0.23 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 1xqq s THR 7 Cb -0.12 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.71 1xqq s THR 7 CO 0.08 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.11 1xqq h LEU 8 N -1.09 0.01 0.66 4.79 5.85 -1.90 -3.29 115.31 120.34 1xqq h LEU 8 Ca -0.42 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1xqq h LEU 8 Cb 1.26 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.30 1xqq h LEU 8 CO 0.44 0.04 -0.31 0.71 -0.34 0.00 0.00 178.44 178.97 1xqq h THR 9 N -0.03 0.29 0.00 1.05 1.35 -1.96 -3.48 112.91 110.14 1xqq h THR 9 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1xqq h THR 9 Cb 0.04 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1xqq h THR 9 CO -0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1xqq n GLY 10 N -1.11 0.05 3.85 5.82 0.00 -1.24 -5.16 105.19 107.40 1xqq n GLY 10 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 3.84 -0.37 1.61 2.20 -1.26 -4.87 119.74 120.89 1xqq s LYS 11 Ca 0.00 0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 55.84 1xqq s LYS 11 Cb 0.00 -3.04 0.06 0.00 -1.51 0.00 0.00 37.83 33.34 1xqq s LYS 11 CO 0.00 0.58 0.17 0.99 -0.36 0.00 0.00 175.35 176.73 1xqq s THR 12 N -1.33 3.90 -0.30 3.43 2.01 -1.26 -0.97 115.64 121.12 1xqq s THR 12 Ca 0.31 -1.31 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 1xqq s THR 12 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1xqq s THR 12 CO 0.17 -0.34 0.81 -0.63 -0.69 0.00 0.00 174.62 173.94 1xqq s ILE 13 N 1.39 4.78 -0.18 1.82 1.01 -0.18 -4.95 121.20 124.88 1xqq s ILE 13 Ca 0.01 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.83 1xqq s ILE 13 Cb -0.21 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1xqq s ILE 13 CO 0.02 -0.25 0.09 -0.89 0.00 0.00 0.00 174.94 173.91 1xqq s THR 14 N 2.99 5.01 -0.06 2.92 2.01 -1.26 -0.26 115.64 126.98 1xqq s THR 14 Ca 0.33 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1xqq s THR 14 Cb -0.14 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 1xqq s THR 14 CO 0.12 0.47 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.56 1xqq s LEU 15 N 0.20 1.97 -0.29 4.42 2.01 -1.06 -4.99 118.68 120.93 1xqq s LEU 15 Ca 0.06 -0.42 -0.06 0.00 0.01 0.00 0.00 54.13 53.72 1xqq s LEU 15 Cb -0.12 -1.14 0.01 0.00 0.01 0.00 0.00 46.19 44.95 1xqq s LEU 15 CO -0.00 0.18 0.06 -0.70 1.01 0.00 0.00 176.35 176.89 1xqq s GLU 16 N 0.05 3.01 0.34 1.70 2.12 -1.26 -2.41 118.70 122.24 1xqq s GLU 16 Ca -0.06 -0.90 0.05 0.00 0.36 0.00 0.00 54.97 54.42 1xqq s GLU 16 Cb -0.13 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1xqq s GLU 16 CO 0.04 -0.45 0.21 0.14 -0.54 0.00 0.00 175.26 174.66 1xqq s VAL 17 N 1.46 0.19 0.43 3.70 -7.23 0.11 -4.86 120.40 114.20 1xqq s VAL 17 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1xqq s VAL 17 Cb -0.17 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1xqq s VAL 17 CO 0.01 0.00 0.26 -1.61 -0.31 0.00 0.00 175.10 173.45 1xqq s GLU 18 N -3.62 2.32 0.18 4.82 0.41 -1.26 -0.53 118.70 121.03 1xqq s GLU 18 Ca 0.36 -1.78 0.26 0.00 -0.41 0.00 0.00 54.97 53.40 1xqq s GLU 18 Cb 0.03 -2.11 0.87 0.00 -1.78 0.00 0.00 34.13 31.14 1xqq s GLU 18 CO 0.22 -0.20 1.79 -2.30 -0.49 0.00 0.00 175.26 174.28 1xqq n PRO 19 N -1.39 0.23 -0.25 0.39 -0.02 -1.26 -3.28 135.00 129.42 1xqq n PRO 19 Ca -0.00 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1xqq n PRO 19 Cb 0.64 -1.77 0.23 0.00 -0.02 0.00 0.00 33.50 32.58 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xqq n SER 20 N -2.16 2.69 -4.75 2.55 7.64 -1.26 -0.73 113.62 117.59 1xqq n SER 20 Ca 0.06 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.54 1xqq n SER 20 Cb 0.41 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.03 7.59 0.61 6.43 1.01 -1.20 -4.89 116.67 125.20 1xqq s ASP 21 Ca 0.34 1.89 -0.02 0.00 0.71 0.00 0.00 52.55 55.47 1xqq s ASP 21 Cb 0.18 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.56 1xqq s ASP 21 CO 0.23 0.14 0.87 0.42 0.21 0.00 0.00 175.17 177.04 1xqq s THR 22 N -1.05 2.51 0.27 -1.27 -4.23 -1.26 -1.88 115.64 108.73 1xqq s THR 22 Ca 0.41 -0.52 0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1xqq s THR 22 Cb -0.25 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.64 1xqq s THR 22 CO 0.31 0.00 1.68 0.40 -0.54 0.00 0.00 174.62 176.47 1xqq h ILE 23 N -0.19 1.27 -0.32 2.99 1.08 -1.22 -2.01 117.51 119.11 1xqq h ILE 23 Ca -0.43 -1.81 0.07 0.00 -0.39 0.00 0.00 64.86 62.30 1xqq h ILE 23 Cb 1.30 2.00 -0.07 0.00 -3.07 0.00 0.00 36.82 36.98 1xqq h ILE 23 CO 0.54 0.50 -0.17 -0.08 -0.69 0.00 0.00 178.15 178.26 1xqq h GLU 24 N 0.00 -0.12 -0.76 2.37 4.81 -1.81 -2.38 114.58 116.68 1xqq h GLU 24 Ca -0.01 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1xqq h GLU 24 Cb 0.96 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.30 1xqq h GLU 24 CO 0.07 -0.08 0.40 -0.91 -0.73 0.00 0.00 179.01 177.76 1xqq h ASN 25 N -0.12 0.53 -0.38 1.04 -0.26 -1.70 -1.35 115.58 113.34 1xqq h ASN 25 Ca 0.16 0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 1xqq h ASN 25 Cb 0.37 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1xqq h ASN 25 CO -0.40 0.29 -0.07 0.58 -1.06 0.00 0.00 177.43 176.77 1xqq h VAL 26 N 0.66 1.27 -0.69 2.81 2.07 -1.05 -1.88 116.25 119.44 1xqq h VAL 26 Ca 0.38 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1xqq h VAL 26 Cb 0.41 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1xqq h VAL 26 CO -0.28 0.38 0.46 0.11 0.02 0.00 0.00 177.57 178.26 1xqq h LYS 27 N 0.53 0.72 -0.79 1.57 1.57 -1.31 -2.10 116.57 116.76 1xqq h LYS 27 Ca 0.10 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1xqq h LYS 27 Cb 0.58 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1xqq h LYS 27 CO 0.03 0.48 0.52 0.00 -0.57 0.00 0.00 179.45 179.91 1xqq h ALA 28 N 1.62 1.89 0.00 3.86 0.00 -0.48 0.15 119.26 126.30 1xqq h ALA 28 Ca 0.29 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1xqq h ALA 28 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xqq h ALA 28 CO -0.09 -0.08 -1.09 0.87 0.00 0.00 0.00 179.25 178.86 1xqq h LYS 29 N 0.61 0.00 -0.45 0.00 1.57 -0.97 -2.32 116.57 115.01 1xqq h LYS 29 Ca 0.38 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.10 1xqq h LYS 29 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1xqq h LYS 29 CO -0.14 0.94 0.06 0.82 -0.57 0.00 0.00 179.45 180.55 1xqq h ILE 30 N 0.00 1.25 -0.99 1.86 2.04 -0.65 0.80 117.51 121.82 1xqq h ILE 30 Ca -0.04 -0.93 0.14 0.00 1.00 0.00 0.00 64.86 65.02 1xqq h ILE 30 Cb 1.80 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 38.78 1xqq h ILE 30 CO 0.12 0.32 0.62 -0.61 0.00 0.00 0.00 178.15 178.61 1xqq h GLN 31 N 0.61 0.89 0.20 2.37 4.15 -0.79 -0.24 115.11 122.30 1xqq h GLN 31 Ca 0.13 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xqq h GLN 31 Cb 0.41 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1xqq h GLN 31 CO 0.01 0.59 -0.10 0.22 -1.93 0.00 0.00 178.83 177.62 1xqq h ASP 32 N 0.92 -0.23 -0.51 -0.69 3.58 -1.20 -3.12 116.42 115.16 1xqq h ASP 32 Ca 0.51 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 1xqq h ASP 32 Cb 0.59 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1xqq h ASP 32 CO -0.28 0.18 0.21 0.50 -2.88 0.00 0.00 179.24 176.97 1xqq h LYS 33 N -0.69 0.75 0.00 0.28 3.64 -0.22 -3.24 116.57 117.08 1xqq h LYS 33 Ca -0.03 -0.13 -0.37 0.00 -1.27 0.00 0.00 60.65 58.86 1xqq h LYS 33 Cb 0.48 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1xqq h LYS 33 CO 0.05 0.66 -2.37 0.39 -2.27 0.00 0.00 179.45 175.90 1xqq n GLU 34 N -4.56 0.73 -1.97 1.90 -0.58 -0.16 -5.00 120.64 111.00 1xqq n GLU 34 Ca 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1xqq n GLU 34 Cb 0.15 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.78 0.89 3.64 0.62 0.00 -1.17 -5.06 105.19 105.89 1xqq n GLY 35 Ca -0.33 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.62 4.95 0.47 -0.61 1.01 -1.25 -4.99 121.20 118.16 1xqq s ILE 36 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1xqq s ILE 36 Cb 0.00 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 1xqq s ILE 36 CO 0.00 0.43 1.21 -2.84 0.00 0.00 0.00 174.94 173.74 1xqq s PRO 37 N 0.56 3.66 0.00 2.79 0.02 -1.26 -3.53 135.00 137.24 1xqq s PRO 37 Ca 0.05 1.88 0.25 0.00 0.02 0.00 0.00 61.00 63.19 1xqq s PRO 37 Cb -0.12 -2.40 1.41 0.00 0.02 0.00 0.00 34.50 33.40 1xqq s PRO 37 CO 0.01 -0.67 1.91 -0.35 -0.33 0.00 0.00 177.00 177.58 1xqq n PRO 38 N -0.55 1.08 -0.10 5.54 -0.04 -1.26 -3.18 135.00 136.50 1xqq n PRO 38 Ca 0.08 -0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1xqq n PRO 38 Cb 0.47 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xqq n ASP 39 N -0.75 1.94 -0.10 3.54 5.75 -1.26 -3.66 116.55 122.00 1xqq n ASP 39 Ca 0.18 0.32 0.26 0.00 -0.01 0.00 0.00 54.79 55.54 1xqq n ASP 39 Cb 0.12 -0.87 0.72 0.00 -1.03 0.00 0.00 41.12 40.05 1xqq n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1xqq h GLN 40 N -0.74 0.00 -6.71 0.11 1.08 -1.94 -3.44 115.11 103.46 1xqq h GLN 40 Ca -0.48 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.21 1xqq h GLN 40 Cb 1.56 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 29.01 1xqq h GLN 40 CO -0.21 0.00 0.57 -0.65 -0.95 0.00 0.00 178.83 177.59 1xqq s GLN 41 N -4.94 4.48 -0.31 1.46 -0.21 -1.19 -1.86 119.66 117.09 1xqq s GLN 41 Ca -0.05 1.93 0.02 0.00 0.02 0.00 0.00 55.36 57.28 1xqq s GLN 41 Cb 0.20 -3.21 0.07 0.00 1.00 0.00 0.00 33.01 31.08 1xqq s GLN 41 CO 0.73 -0.08 -0.00 0.50 -2.12 0.00 0.00 175.29 174.32 1xqq s ARG 42 N -0.56 2.03 -0.26 2.91 3.52 0.14 -4.94 118.95 121.78 1xqq s ARG 42 Ca 0.52 -1.54 -0.10 0.00 -0.13 0.00 0.00 55.73 54.48 1xqq s ARG 42 Cb -0.34 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1xqq s ARG 42 CO 0.39 -0.74 0.14 -1.17 -0.81 0.00 0.00 175.30 173.11 1xqq s LEU 43 N 1.08 3.83 0.35 -0.88 2.96 -1.26 -0.90 118.68 123.86 1xqq s LEU 43 Ca -0.00 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1xqq s LEU 43 Cb -0.20 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 1xqq s LEU 43 CO -0.05 -0.03 0.06 0.27 -1.32 0.00 0.00 176.35 175.28 1xqq s ILE 44 N 1.61 1.22 -0.21 6.68 -4.36 -0.60 -4.57 121.20 120.97 1xqq s ILE 44 Ca 0.07 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.30 1xqq s ILE 44 Cb -0.15 -2.76 -0.09 0.00 1.25 0.00 0.00 42.46 40.71 1xqq s ILE 44 CO 0.08 0.00 -0.24 0.33 0.24 0.00 0.00 174.94 175.35 1xqq n PHE 45 N -0.75 0.33 0.00 1.37 7.35 -1.26 -1.19 117.46 123.31 1xqq n PHE 45 Ca -0.03 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1xqq n PHE 45 Cb 0.67 -0.79 0.00 0.00 0.35 0.00 0.00 39.48 39.71 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -4.08 1.93 0.00 3.13 0.00 -1.26 -4.54 120.51 115.68 1xqq n ALA 46 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1xqq n ALA 46 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 1.49 0.72 3.66 0.00 0.00 -1.26 -5.04 105.19 104.76 1xqq n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.80 4.12 -0.18 1.61 1.02 -1.26 -5.03 119.74 119.21 1xqq s LYS 48 Ca 0.00 -0.04 -0.36 0.00 0.02 0.00 0.00 55.97 55.59 1xqq s LYS 48 Cb 0.00 -3.54 -0.13 0.00 -0.52 0.00 0.00 37.83 33.64 1xqq s LYS 48 CO 0.00 0.00 1.86 0.94 -0.92 0.00 0.00 175.35 177.23 1xqq n GLN 49 N 4.41 1.73 -2.87 1.68 7.27 -1.26 -4.60 117.38 123.75 1xqq n GLN 49 Ca -0.12 0.63 -0.38 0.00 0.07 0.00 0.00 57.00 57.20 1xqq n GLN 49 Cb 0.52 -2.44 -0.06 0.00 2.41 0.00 0.00 30.24 30.66 1xqq n GLN 49 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xqq s LEU 50 N 4.13 4.45 -0.13 1.69 1.43 -1.26 -5.04 118.68 123.95 1xqq s LEU 50 Ca 0.96 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 55.52 1xqq s LEU 50 Cb -0.84 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 1xqq s LEU 50 CO 0.57 0.05 0.99 -1.61 0.23 0.00 0.00 176.35 176.57 1xqq s GLU 51 N -1.70 4.39 0.17 1.70 2.02 -1.26 -4.99 118.70 119.03 1xqq s GLU 51 Ca 0.44 1.34 -0.25 0.00 0.02 0.00 0.00 54.97 56.53 1xqq s GLU 51 Cb -0.21 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.51 1xqq s GLU 51 CO 0.25 -0.35 1.57 -0.44 0.02 0.00 0.00 175.26 176.32 1xqq h ASP 52 N 7.16 -1.45 -0.24 -0.19 3.32 -1.96 -3.30 116.42 119.75 1xqq h ASP 52 Ca -0.30 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1xqq h ASP 52 Cb 1.14 0.66 0.00 0.00 0.22 0.00 0.00 39.33 41.35 1xqq h ASP 52 CO 0.87 -0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1xqq n GLY 53 N -1.41 0.31 3.92 2.75 0.00 -1.26 -1.95 105.19 107.55 1xqq n GLY 53 Ca 0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.66 3.48 0.64 1.61 0.52 -1.24 -4.88 118.95 117.41 1xqq s ARG 54 Ca 0.17 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.85 1xqq s ARG 54 Cb 0.09 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 1xqq s ARG 54 CO 0.11 0.53 1.03 0.95 0.02 0.00 0.00 175.30 177.94 1xqq s THR 55 N -1.65 4.31 0.19 0.02 -4.23 -1.26 -2.81 115.64 110.20 1xqq s THR 55 Ca 0.36 0.70 0.09 0.00 -1.18 0.00 0.00 61.69 61.66 1xqq s THR 55 Cb -0.12 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 69.88 1xqq s THR 55 CO 0.28 -0.95 1.46 -0.07 -0.54 0.00 0.00 174.62 174.79 1xqq h LEU 56 N -0.39 0.00 -0.30 4.79 3.38 -1.00 -2.36 115.31 119.43 1xqq h LEU 56 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 56 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1xqq h LEU 56 CO 0.63 0.78 0.18 -1.28 0.09 0.00 0.00 178.44 178.83 1xqq h SER 57 N 0.00 0.36 -0.27 -0.43 0.87 -1.20 -1.96 113.55 110.92 1xqq h SER 57 Ca -0.01 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1xqq h SER 57 Cb 1.40 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1xqq h SER 57 CO 0.10 0.31 0.12 -0.78 -0.53 0.00 0.00 176.83 176.05 1xqq h ASP 58 N 0.38 0.16 -0.32 6.23 3.58 -1.73 -2.84 116.42 121.87 1xqq h ASP 58 Ca 0.11 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1xqq h ASP 58 Cb 0.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1xqq h ASP 58 CO -0.02 0.13 0.14 1.88 -2.88 0.00 0.00 179.24 178.48 1xqq h TYR 59 N 0.26 0.53 0.00 0.28 0.05 -1.41 -3.47 116.97 113.20 1xqq h TYR 59 Ca 0.12 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1xqq h TYR 59 Cb 0.06 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1xqq h TYR 59 CO -0.11 0.43 0.00 0.09 -1.05 0.00 0.00 178.16 177.52 1xqq n ASN 60 N -4.38 -0.41 -4.52 3.88 4.13 -0.88 -5.08 115.26 108.00 1xqq n ASN 60 Ca 0.02 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.85 1xqq n ASN 60 Cb 0.15 -0.19 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 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 -2.00 4.64 0.84 2.41 1.01 -0.79 -5.04 121.20 122.27 1xqq s ILE 61 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 1xqq s ILE 61 Cb 0.00 -4.35 0.17 0.00 0.01 0.00 0.00 42.46 38.29 1xqq s ILE 61 CO 0.00 -0.79 1.14 -1.10 0.00 0.00 0.00 174.94 174.19 1xqq s GLN 62 N 3.29 1.12 0.11 2.79 -1.52 -1.26 -4.69 119.66 119.49 1xqq s GLN 62 Ca 0.27 -0.94 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 1xqq s GLN 62 Cb -0.13 -2.14 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 1xqq s GLN 62 CO 0.20 -1.93 1.69 0.21 -0.25 0.00 0.00 175.29 175.22 1xqq s LYS 63 N -5.47 4.18 -0.30 2.91 2.20 -1.26 -3.04 119.74 118.96 1xqq s LYS 63 Ca 0.71 2.42 -0.01 0.00 -0.36 0.00 0.00 55.97 58.72 1xqq s LYS 63 Cb -0.04 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1xqq s LYS 63 CO 0.48 -0.74 0.26 0.39 -0.36 0.00 0.00 175.35 175.38 1xqq n GLU 64 N 5.26 -1.74 -4.51 4.03 1.02 0.34 -5.01 120.64 120.04 1xqq n GLU 64 Ca 0.16 0.19 -0.33 0.00 -0.02 0.00 0.00 57.16 57.16 1xqq n GLU 64 Cb 0.39 -3.27 -0.11 0.00 -0.02 0.00 0.00 31.44 28.43 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 -3.14 4.75 -0.12 1.62 0.15 -1.17 -4.85 113.70 110.94 1xqq s SER 65 Ca 0.10 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.51 1xqq s SER 65 Cb -0.04 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1xqq s SER 65 CO 0.17 0.33 0.53 -0.89 1.20 0.00 0.00 173.24 174.58 1xqq s THR 66 N -0.90 5.15 0.44 6.45 2.01 -1.26 -0.38 115.64 127.14 1xqq s THR 66 Ca 0.15 1.05 0.07 0.00 0.31 0.00 0.00 61.69 63.27 1xqq s THR 66 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1xqq s THR 66 CO 0.04 0.29 0.27 -0.76 -0.69 0.00 0.00 174.62 173.77 1xqq s LEU 67 N 0.83 3.09 -0.05 4.42 1.02 0.20 -4.87 118.68 123.32 1xqq s LEU 67 Ca 0.28 -1.04 0.00 0.00 0.02 0.00 0.00 54.13 53.39 1xqq s LEU 67 Cb -0.16 -1.53 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1xqq s LEU 67 CO 0.12 -0.69 -0.02 -1.00 0.02 0.00 0.00 176.35 174.78 1xqq s HIS 68 N -2.61 0.63 -0.35 0.29 3.76 -0.34 -1.00 115.29 115.68 1xqq s HIS 68 Ca 0.40 -0.15 -0.16 0.00 -0.15 0.00 0.00 55.06 55.01 1xqq s HIS 68 Cb 0.01 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 33.05 1xqq s HIS 68 CO 0.23 -0.21 0.38 -1.17 -0.85 0.00 0.00 174.74 173.12 1xqq s LEU 69 N 1.18 4.49 0.09 0.89 2.96 0.15 -1.56 118.68 126.88 1xqq s LEU 69 Ca -0.07 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1xqq s LEU 69 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1xqq s LEU 69 CO -0.02 -0.38 0.20 -0.69 -1.32 0.00 0.00 176.35 174.15 1xqq s VAL 70 N 2.06 5.18 0.17 1.68 1.01 -0.08 -3.69 120.40 126.72 1xqq s VAL 70 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1xqq s VAL 70 Cb -0.17 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1xqq s VAL 70 CO 0.12 0.06 0.23 0.18 0.00 0.00 0.00 175.10 175.69 1xqq n LEU 71 N 0.06 0.00 -0.05 3.92 4.77 -1.26 0.24 117.00 124.68 1xqq n LEU 71 Ca -0.06 -0.74 -0.21 0.00 -0.03 0.00 0.00 56.01 54.97 1xqq n LEU 71 Cb 0.52 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1xqq n LEU 71 CO 0.49 -0.55 -0.45 -0.09 -1.33 0.00 0.00 177.39 175.46 1xqq h ARG 72 N 0.00 0.12 0.00 3.23 2.43 -1.72 -3.43 114.38 115.02 1xqq h ARG 72 Ca -0.08 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1xqq h ARG 72 Cb 0.37 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xqq h ARG 72 CO 0.12 1.10 0.00 -0.11 -1.51 0.00 0.00 179.97 179.57 1xqq n LEU 73 N -4.13 1.27 -4.86 3.80 7.94 -1.26 -4.95 117.00 114.81 1xqq n LEU 73 Ca -0.28 0.20 -0.37 0.00 -1.11 0.00 0.00 56.01 54.45 1xqq n LEU 73 Cb 0.79 -0.24 -0.06 0.00 0.53 0.00 0.00 43.42 44.45 1xqq n LEU 73 CO 0.31 -0.24 0.04 -0.13 -1.11 0.00 0.00 177.39 176.26 1xqq s ARG 74 N -0.48 3.77 0.00 1.96 0.52 -1.26 -5.06 118.95 118.40 1xqq s ARG 74 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1xqq s ARG 74 Cb 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1xqq s ARG 74 CO 0.00 0.66 0.00 0.41 0.02 0.00 0.00 175.30 176.39 1xqq n GLY 75 N 1.51 3.18 0.00 -3.53 0.00 -1.26 -4.61 105.19 100.48 1xqq n GLY 75 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93