#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 4.61 0.19 3.17 -0.21 -1.26 -1.76 119.66 124.41 1xqq s GLN 2 Ca 0.00 1.66 0.07 0.00 0.02 0.00 0.00 55.36 57.11 1xqq s GLN 2 Cb 0.00 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1xqq s GLN 2 CO 0.00 0.10 -0.14 0.96 -2.12 0.00 0.00 175.29 174.09 1xqq s ILE 3 N -0.14 1.62 0.04 1.08 -4.36 -0.75 -1.81 121.20 116.88 1xqq s ILE 3 Ca 0.49 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1xqq s ILE 3 Cb -0.28 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1xqq s ILE 3 CO 0.33 -0.63 0.13 -0.36 0.24 0.00 0.00 174.94 174.65 1xqq s PHE 4 N -3.05 3.34 -0.15 1.37 0.08 0.53 -0.87 117.98 119.24 1xqq s PHE 4 Ca 0.21 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1xqq s PHE 4 Cb -0.00 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 1xqq s PHE 4 CO 0.05 0.56 -0.13 0.08 -0.10 0.00 0.00 175.22 175.69 1xqq s VAL 5 N -1.37 1.52 -1.00 -0.44 1.01 0.32 -1.02 120.40 119.43 1xqq s VAL 5 Ca 0.29 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1xqq s VAL 5 Cb -0.12 -1.45 0.20 0.00 0.00 0.00 0.00 36.38 35.01 1xqq s VAL 5 CO 0.21 0.43 1.07 -0.75 0.00 0.00 0.00 175.10 176.06 1xqq s LYS 6 N 1.50 3.85 0.21 2.72 2.20 0.18 -1.18 119.74 129.22 1xqq s LYS 6 Ca 0.05 -2.51 -0.25 0.00 -0.36 0.00 0.00 55.97 52.90 1xqq s LYS 6 Cb -0.13 -4.70 -0.08 0.00 -1.51 0.00 0.00 37.83 31.40 1xqq s LYS 6 CO -0.10 -1.49 0.81 0.99 -0.36 0.00 0.00 175.35 175.20 1xqq s THR 7 N 0.69 4.35 -0.16 3.43 2.01 -1.20 -3.01 115.64 121.74 1xqq s THR 7 Ca 0.30 1.69 -0.17 0.00 0.31 0.00 0.00 61.69 63.82 1xqq s THR 7 Cb -0.07 -4.09 -0.14 0.00 0.01 0.00 0.00 72.50 68.21 1xqq s THR 7 CO -0.07 0.41 0.20 -0.07 -0.69 0.00 0.00 174.62 174.40 1xqq h LEU 8 N 3.97 0.00 -5.91 4.42 3.38 -1.85 -3.23 115.31 116.09 1xqq h LEU 8 Ca -0.47 -0.41 -0.74 0.00 0.09 0.00 0.00 57.88 56.35 1xqq h LEU 8 Cb 1.20 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 1xqq h LEU 8 CO 0.66 1.04 2.35 0.41 0.09 0.00 0.00 178.44 182.99 1xqq n THR 9 N -4.57 4.87 0.00 0.22 -1.04 -1.26 -4.50 114.28 107.99 1xqq n THR 9 Ca -0.16 -4.27 0.00 0.00 -2.04 0.00 0.00 64.05 57.58 1xqq n THR 9 Cb 0.42 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xqq n GLY 10 N 2.21 -0.55 3.34 3.41 0.00 -1.26 -5.17 105.19 107.17 1xqq n GLY 10 Ca 0.55 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N -0.89 1.55 -0.30 1.61 -2.85 -1.22 -4.97 119.74 112.67 1xqq s LYS 11 Ca 0.00 -1.70 -0.19 0.00 -1.00 0.00 0.00 55.97 53.08 1xqq s LYS 11 Cb 0.00 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1xqq s LYS 11 CO 0.00 -0.58 0.54 0.99 0.10 0.00 0.00 175.35 176.40 1xqq s THR 12 N -3.72 5.02 0.18 3.79 2.01 -1.26 -3.27 115.64 118.39 1xqq s THR 12 Ca 0.35 0.69 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1xqq s THR 12 Cb 0.03 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1xqq s THR 12 CO 0.17 -0.07 0.23 0.27 -0.69 0.00 0.00 174.62 174.53 1xqq s ILE 13 N 2.42 4.88 -0.28 1.82 -4.36 -0.33 -4.90 121.20 120.45 1xqq s ILE 13 Ca 0.21 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1xqq s ILE 13 Cb -0.15 -3.54 0.08 0.00 1.25 0.00 0.00 42.46 40.10 1xqq s ILE 13 CO 0.11 -0.17 0.04 -0.89 0.24 0.00 0.00 174.94 174.27 1xqq s THR 14 N -1.83 1.34 -0.11 8.37 2.01 -1.26 -0.52 115.64 123.64 1xqq s THR 14 Ca 0.33 -1.47 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 1xqq s THR 14 Cb -0.10 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1xqq s THR 14 CO 0.26 -0.44 0.06 -0.76 -0.69 0.00 0.00 174.62 173.05 1xqq s LEU 15 N 1.42 3.89 -0.78 4.42 1.43 -0.05 -4.93 118.68 124.08 1xqq s LEU 15 Ca 0.04 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1xqq s LEU 15 Cb -0.18 -1.93 0.20 0.00 0.03 0.00 0.00 46.19 44.31 1xqq s LEU 15 CO -0.14 0.35 0.66 -1.61 0.23 0.00 0.00 176.35 175.84 1xqq s GLU 16 N -0.70 3.13 0.47 1.70 2.02 -1.26 -1.82 118.70 122.24 1xqq s GLU 16 Ca 0.12 -2.76 0.08 0.00 0.02 0.00 0.00 54.97 52.43 1xqq s GLU 16 Cb -0.12 -4.02 0.03 0.00 0.10 0.00 0.00 34.13 30.12 1xqq s GLU 16 CO 0.02 -1.23 0.59 0.14 0.02 0.00 0.00 175.26 174.81 1xqq s VAL 17 N -0.43 2.62 0.05 2.63 -7.23 -0.72 -4.84 120.40 112.47 1xqq s VAL 17 Ca 0.21 -1.09 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1xqq s VAL 17 Cb -0.14 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1xqq s VAL 17 CO -0.07 0.00 -0.15 -1.83 -0.31 0.00 0.00 175.10 172.74 1xqq s GLU 18 N -4.40 0.93 0.00 4.82 -1.05 -1.26 0.38 118.70 118.11 1xqq s GLU 18 Ca 0.55 -0.82 0.31 0.00 -0.15 0.00 0.00 54.97 54.85 1xqq s GLU 18 Cb -0.07 -0.95 1.58 0.00 -0.44 0.00 0.00 34.13 34.25 1xqq s GLU 18 CO 0.33 0.23 2.08 -0.35 0.95 0.00 0.00 175.26 178.50 1xqq n PRO 19 N 1.72 0.55 -0.13 -4.83 -0.04 -1.26 -1.77 135.00 129.24 1xqq n PRO 19 Ca -0.19 -0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1xqq n PRO 19 Cb 0.54 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.21 1.98 -4.89 3.54 7.64 -1.26 -1.17 113.62 118.25 1xqq n SER 20 Ca 0.16 -1.83 -0.30 0.00 1.01 0.00 0.00 58.87 57.92 1xqq n SER 20 Cb 0.22 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -1.38 6.49 0.46 6.43 -1.08 -0.73 -4.80 116.67 122.06 1xqq s ASP 21 Ca 0.31 0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 53.27 1xqq s ASP 21 Cb 0.17 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.37 1xqq s ASP 21 CO 0.24 -0.31 0.70 0.42 0.52 0.00 0.00 175.17 176.75 1xqq s THR 22 N -2.24 4.28 0.32 1.71 -4.23 -1.26 -1.50 115.64 112.71 1xqq s THR 22 Ca 0.48 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 1xqq s THR 22 Cb -0.10 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 70.28 1xqq s THR 22 CO 0.31 -0.47 1.84 0.40 -0.54 0.00 0.00 174.62 176.15 1xqq h ILE 23 N 0.34 1.21 -0.49 2.99 1.08 -1.06 -1.42 117.51 120.17 1xqq h ILE 23 Ca -0.47 -0.87 0.10 0.00 -0.39 0.00 0.00 64.86 63.23 1xqq h ILE 23 Cb 1.24 0.97 -0.09 0.00 -3.07 0.00 0.00 36.82 35.88 1xqq h ILE 23 CO 0.59 0.30 -0.06 -0.08 -0.69 0.00 0.00 178.15 178.20 1xqq h GLU 24 N 0.53 0.05 0.00 2.37 4.57 -1.56 0.34 114.58 120.88 1xqq h GLU 24 Ca 0.11 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1xqq h GLU 24 Cb 0.38 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1xqq h GLU 24 CO 0.02 0.03 -0.28 -0.91 -1.18 0.00 0.00 179.01 176.69 1xqq h ASN 25 N 0.05 0.00 -0.43 1.04 4.21 -1.59 -1.80 115.58 117.06 1xqq h ASN 25 Ca 0.24 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 1xqq h ASN 25 Cb 0.37 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1xqq h ASN 25 CO -0.46 0.28 0.18 0.58 -1.29 0.00 0.00 177.43 176.72 1xqq h VAL 26 N 0.00 1.19 -0.45 2.81 2.07 -0.73 -2.33 116.25 118.82 1xqq h VAL 26 Ca -0.00 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.02 1xqq h VAL 26 Cb 0.77 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1xqq h VAL 26 CO 0.04 0.22 -0.02 0.11 0.02 0.00 0.00 177.57 177.93 1xqq h LYS 27 N 0.55 0.08 -0.73 1.57 1.57 -0.50 -2.80 116.57 116.31 1xqq h LYS 27 Ca 0.14 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 1xqq h LYS 27 Cb 0.17 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 1xqq h LYS 27 CO -0.01 0.06 0.33 0.00 -0.57 0.00 0.00 179.45 179.26 1xqq h ALA 28 N 1.41 1.03 -0.52 3.86 0.00 -1.31 0.06 119.26 123.78 1xqq h ALA 28 Ca 0.22 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1xqq h ALA 28 Cb 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xqq h ALA 28 CO -0.39 -0.12 0.22 0.87 0.00 0.00 0.00 179.25 179.83 1xqq h LYS 29 N 0.53 0.76 0.42 0.00 1.57 -1.30 -1.72 116.57 116.84 1xqq h LYS 29 Ca 0.38 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1xqq h LYS 29 Cb 0.49 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xqq h LYS 29 CO -0.33 0.66 -0.20 0.82 -0.57 0.00 0.00 179.45 179.83 1xqq h ILE 30 N 0.69 0.58 -0.95 1.86 2.04 -1.21 -0.72 117.51 119.80 1xqq h ILE 30 Ca 0.17 -0.05 0.26 0.00 1.00 0.00 0.00 64.86 66.24 1xqq h ILE 30 Cb 0.17 0.61 -0.17 0.00 -0.74 0.00 0.00 36.82 36.69 1xqq h ILE 30 CO -0.02 0.01 0.08 -0.61 0.00 0.00 0.00 178.15 177.61 1xqq h GLN 31 N -0.60 0.04 0.00 2.37 4.15 -0.99 -1.36 115.11 118.72 1xqq h GLN 31 Ca -0.06 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1xqq h GLN 31 Cb 0.45 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.14 1xqq h GLN 31 CO 0.10 0.03 -0.36 0.22 -1.93 0.00 0.00 178.83 176.88 1xqq h ASP 32 N 0.05 0.31 0.46 -0.69 3.58 -1.11 -3.10 116.42 115.91 1xqq h ASP 32 Ca 0.59 -0.78 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 1xqq h ASP 32 Cb 1.21 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1xqq h ASP 32 CO -0.85 1.05 -0.22 0.50 -2.88 0.00 0.00 179.24 176.85 1xqq h LYS 33 N -0.39 -0.59 0.00 0.28 1.63 -0.63 -3.40 116.57 113.48 1xqq h LYS 33 Ca -0.05 0.04 -0.30 0.00 -0.85 0.00 0.00 60.65 59.50 1xqq h LYS 33 Cb 1.11 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.83 1xqq h LYS 33 CO 0.07 -0.39 -1.63 0.39 -3.45 0.00 0.00 179.45 174.44 1xqq n GLU 34 N -4.51 0.58 0.00 1.90 -0.58 -0.56 -5.02 120.64 112.45 1xqq n GLU 34 Ca -0.08 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1xqq n GLU 34 Cb 0.24 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.41 1.98 3.63 0.62 0.00 -1.09 -5.04 105.19 106.70 1xqq n GLY 35 Ca -0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 4.90 0.23 -0.61 1.01 -1.26 -4.94 121.20 118.53 1xqq s ILE 36 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 1xqq s ILE 36 Cb 0.00 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1xqq s ILE 36 CO 0.00 -0.04 1.48 -2.84 0.00 0.00 0.00 174.94 173.54 1xqq s PRO 37 N 2.70 4.24 0.04 2.79 0.02 -1.26 -3.87 135.00 139.66 1xqq s PRO 37 Ca 0.31 2.33 0.27 0.00 0.02 0.00 0.00 61.00 63.93 1xqq s PRO 37 Cb -0.15 -3.12 1.11 0.00 0.02 0.00 0.00 34.50 32.36 1xqq s PRO 37 CO 0.08 -0.49 1.86 -0.35 -0.33 0.00 0.00 177.00 177.78 1xqq n PRO 38 N 2.78 0.04 0.08 5.54 -0.04 -1.26 -2.08 135.00 140.05 1xqq n PRO 38 Ca 0.09 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 1xqq n PRO 38 Cb 0.40 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.00 0.55 0.91 3.54 2.03 -2.00 -3.32 116.42 118.13 1xqq h ASP 39 Ca 0.00 -0.47 -0.11 0.00 -0.73 0.00 0.00 57.03 55.71 1xqq h ASP 39 Cb 0.51 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.82 1xqq h ASP 39 CO 0.00 1.29 -0.54 -0.61 -1.03 0.00 0.00 179.24 178.35 1xqq h GLN 40 N 0.21 0.00 -6.18 4.15 4.15 -1.75 -3.43 115.11 112.26 1xqq h GLN 40 Ca -0.10 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.75 1xqq h GLN 40 Cb 1.69 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.34 1xqq h GLN 40 CO 0.18 0.54 0.93 -0.65 -1.93 0.00 0.00 178.83 177.90 1xqq s GLN 41 N -3.38 4.18 -0.31 1.69 -0.21 -0.94 -0.39 119.66 120.29 1xqq s GLN 41 Ca 0.00 1.66 -0.02 0.00 0.02 0.00 0.00 55.36 57.03 1xqq s GLN 41 Cb 0.11 -3.80 0.06 0.00 1.00 0.00 0.00 33.01 30.37 1xqq s GLN 41 CO 0.73 -0.78 0.02 0.50 -2.12 0.00 0.00 175.29 173.64 1xqq s ARG 42 N 3.65 2.37 0.01 2.91 3.52 -0.68 -4.93 118.95 125.80 1xqq s ARG 42 Ca 0.57 -1.33 -0.30 0.00 -0.13 0.00 0.00 55.73 54.54 1xqq s ARG 42 Cb -0.22 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 1xqq s ARG 42 CO 0.17 -0.67 0.97 -0.51 -0.81 0.00 0.00 175.30 174.45 1xqq s LEU 43 N 1.23 4.38 -0.10 -0.88 1.43 -1.26 -0.77 118.68 122.72 1xqq s LEU 43 Ca -0.04 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1xqq s LEU 43 Cb -0.20 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1xqq s LEU 43 CO -0.01 -0.23 -0.20 -0.63 0.23 0.00 0.00 176.35 175.50 1xqq s ILE 44 N 0.88 2.42 -0.10 -0.59 -1.09 0.53 -1.89 121.20 121.36 1xqq s ILE 44 Ca 0.51 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1xqq s ILE 44 Cb -0.21 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1xqq s ILE 44 CO 0.28 0.55 -0.11 0.12 -1.23 0.00 0.00 174.94 174.56 1xqq s PHE 45 N 0.18 1.62 0.00 3.97 5.36 -0.88 -0.98 117.98 127.24 1xqq s PHE 45 Ca -0.12 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.09 1xqq s PHE 45 Cb -0.16 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 1xqq s PHE 45 CO 0.06 -0.46 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 1xqq n ALA 46 N 4.50 0.00 -2.11 11.12 0.00 -1.26 -1.40 120.51 131.35 1xqq n ALA 46 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.62 3.61 0.00 0.00 -1.26 -5.04 105.19 103.11 1xqq n GLY 47 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 3.33 -0.29 1.61 1.02 -0.49 -5.09 119.74 119.83 1xqq s LYS 48 Ca 0.08 -0.45 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 1xqq s LYS 48 Cb 0.09 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1xqq s LYS 48 CO -0.04 0.49 0.29 -1.14 -0.92 0.00 0.00 175.35 174.03 1xqq s GLN 49 N -0.29 3.85 0.01 1.68 0.74 -1.26 -2.08 119.66 122.31 1xqq s GLN 49 Ca 0.06 -0.25 -0.21 0.00 0.05 0.00 0.00 55.36 55.01 1xqq s GLN 49 Cb -0.12 -3.70 -0.06 0.00 1.10 0.00 0.00 33.01 30.23 1xqq s GLN 49 CO 0.02 -0.31 0.60 -0.51 -0.55 0.00 0.00 175.29 174.54 1xqq s LEU 50 N 1.91 4.44 0.60 3.68 1.43 -0.79 -5.03 118.68 124.92 1xqq s LEU 50 Ca 0.11 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 1xqq s LEU 50 Cb -0.16 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1xqq s LEU 50 CO 0.11 0.13 1.02 -1.61 0.23 0.00 0.00 176.35 176.22 1xqq s GLU 51 N -0.34 3.66 -0.05 1.70 2.02 -1.26 -4.73 118.70 119.69 1xqq s GLU 51 Ca 0.31 0.78 -0.25 0.00 0.02 0.00 0.00 54.97 55.83 1xqq s GLU 51 Cb -0.19 -2.09 -0.23 0.00 0.10 0.00 0.00 34.13 31.72 1xqq s GLU 51 CO 0.18 -0.52 1.03 -0.44 0.02 0.00 0.00 175.26 175.53 1xqq h ASP 52 N -0.11 0.21 -0.95 -0.19 3.32 -1.96 -3.33 116.42 113.41 1xqq h ASP 52 Ca -0.44 -0.77 -0.48 0.00 0.02 0.00 0.00 57.03 55.35 1xqq h ASP 52 Cb 1.19 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.39 1xqq h ASP 52 CO 0.62 0.96 0.61 0.61 -1.72 0.00 0.00 179.24 180.32 1xqq n GLY 53 N 1.04 4.36 3.51 2.75 0.00 -1.26 -1.52 105.19 114.07 1xqq n GLY 53 Ca -0.10 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.17 1.83 0.36 1.61 0.52 -1.25 -4.99 118.95 113.86 1xqq s ARG 54 Ca 0.55 -1.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.26 1xqq s ARG 54 Cb 0.46 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.96 1xqq s ARG 54 CO 0.11 0.38 0.53 0.95 0.02 0.00 0.00 175.30 177.29 1xqq s THR 55 N -2.05 4.60 0.38 0.02 -4.23 -1.26 -2.16 115.64 110.92 1xqq s THR 55 Ca 0.26 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1xqq s THR 55 Cb -0.07 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.30 1xqq s THR 55 CO 0.14 -0.37 1.94 -0.07 -0.54 0.00 0.00 174.62 175.72 1xqq h LEU 56 N 0.75 0.38 -0.63 4.79 3.38 -1.37 -1.86 115.31 120.75 1xqq h LEU 56 Ca -0.48 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 1xqq h LEU 56 Cb 1.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.58 0.43 -0.06 0.77 0.09 0.00 0.00 178.44 180.26 1xqq h SER 57 N 0.40 1.01 0.36 -0.43 4.64 -1.42 0.52 113.55 118.63 1xqq h SER 57 Ca 0.09 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1xqq h SER 57 Cb 0.25 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1xqq h SER 57 CO 0.01 1.09 -0.17 -0.78 -0.87 0.00 0.00 176.83 176.10 1xqq h ASP 58 N 0.92 -0.41 1.00 4.97 1.82 -1.82 -2.23 116.42 120.68 1xqq h ASP 58 Ca 0.15 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1xqq h ASP 58 Cb 0.61 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1xqq h ASP 58 CO 0.04 -0.13 0.00 1.88 -1.61 0.00 0.00 179.24 179.42 1xqq h TYR 59 N -0.70 0.00 -0.50 0.28 0.05 -1.39 -3.46 116.97 111.24 1xqq h TYR 59 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1xqq h TYR 59 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1xqq h TYR 59 CO -0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1xqq n ASN 60 N -2.35 -1.20 -4.38 3.88 4.13 -0.50 -4.98 115.26 109.85 1xqq n ASN 60 Ca 0.03 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 55.84 1xqq n ASN 60 Cb 0.30 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1xqq n ILE 61 N -2.16 4.45 -0.37 2.41 5.41 0.17 -4.98 119.36 124.30 1xqq n ILE 61 Ca 0.00 -5.12 -0.29 0.00 1.00 0.00 0.00 62.75 58.34 1xqq n ILE 61 Cb 0.35 -2.53 0.27 0.00 -0.71 0.00 0.00 39.64 37.02 1xqq n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xqq n GLN 62 N 3.86 -3.55 -1.90 0.38 10.64 -1.26 -4.78 117.38 120.77 1xqq n GLN 62 Ca 0.29 -1.03 -0.40 0.00 -1.83 0.00 0.00 57.00 54.03 1xqq n GLN 62 Cb 0.40 -2.02 -0.00 0.00 -0.86 0.00 0.00 30.24 27.76 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 -4.59 4.04 -1.17 2.61 -2.85 -1.26 -3.21 119.74 113.30 1xqq s LYS 63 Ca 0.67 2.41 0.00 0.00 -1.00 0.00 0.00 55.97 58.05 1xqq s LYS 63 Cb -0.19 -2.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 1xqq s LYS 63 CO 0.61 -0.52 0.00 -1.91 0.10 0.00 0.00 175.35 173.63 1xqq n GLU 64 N 0.33 -0.98 -3.40 1.78 2.13 -0.75 -5.02 120.64 114.73 1xqq n GLU 64 Ca 0.02 0.72 -0.38 0.00 0.66 0.00 0.00 57.16 58.17 1xqq n GLU 64 Cb 0.41 -4.88 -0.06 0.00 0.27 0.00 0.00 31.44 27.18 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xqq s SER 65 N -2.56 6.92 -0.22 4.31 0.01 -1.20 -4.86 113.70 116.11 1xqq s SER 65 Ca 0.00 1.09 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 1xqq s SER 65 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1xqq s SER 65 CO 0.00 0.30 -0.07 -0.89 0.41 0.00 0.00 173.24 172.99 1xqq s THR 66 N -1.06 3.08 -0.05 1.44 2.01 -1.26 -0.34 115.64 119.46 1xqq s THR 66 Ca 0.26 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1xqq s THR 66 Cb -0.18 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 1xqq s THR 66 CO 0.16 0.39 0.26 -0.76 -0.69 0.00 0.00 174.62 173.97 1xqq s LEU 67 N 1.42 4.41 -0.12 4.42 1.02 -0.19 -4.76 118.68 124.88 1xqq s LEU 67 Ca 0.05 0.64 -0.02 0.00 0.02 0.00 0.00 54.13 54.81 1xqq s LEU 67 Cb -0.15 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 1xqq s LEU 67 CO -0.05 0.34 -0.03 -1.00 0.02 0.00 0.00 176.35 175.63 1xqq s HIS 68 N -1.13 3.06 -0.37 0.29 3.76 -0.16 0.52 115.29 121.25 1xqq s HIS 68 Ca 0.21 -0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.97 1xqq s HIS 68 Cb -0.14 -1.86 0.05 0.00 1.11 0.00 0.00 32.58 31.74 1xqq s HIS 68 CO 0.10 0.20 0.19 -1.17 -0.85 0.00 0.00 174.74 173.21 1xqq s LEU 69 N -0.26 4.71 0.04 0.89 0.20 -1.16 -0.35 118.68 122.74 1xqq s LEU 69 Ca 0.05 -1.20 -0.30 0.00 0.69 0.00 0.00 54.13 53.37 1xqq s LEU 69 Cb -0.13 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.63 1xqq s LEU 69 CO 0.02 -0.41 1.09 -0.69 -0.29 0.00 0.00 176.35 176.07 1xqq s VAL 70 N 1.46 4.40 -0.38 1.68 1.01 0.05 -4.61 120.40 124.02 1xqq s VAL 70 Ca 0.01 1.75 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 1xqq s VAL 70 Cb -0.20 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1xqq s VAL 70 CO 0.04 0.15 0.47 -0.76 0.00 0.00 0.00 175.10 175.00 1xqq s LEU 71 N 0.93 4.56 0.28 3.92 1.43 -1.26 -1.68 118.68 126.86 1xqq s LEU 71 Ca 0.55 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1xqq s LEU 71 Cb -0.26 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1xqq s LEU 71 CO 0.29 -0.52 0.48 0.00 0.23 0.00 0.00 176.35 176.83 1xqq s ARG 72 N 2.28 3.52 0.27 1.70 1.70 0.47 -5.01 118.95 123.88 1xqq s ARG 72 Ca 0.15 -0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 55.08 1xqq s ARG 72 Cb -0.16 -2.73 -0.05 0.00 -0.57 0.00 0.00 34.95 31.44 1xqq s ARG 72 CO 0.14 0.26 0.49 -0.51 -1.08 0.00 0.00 175.30 174.61 1xqq s LEU 73 N -3.83 4.11 0.00 -1.89 1.43 -1.26 -4.85 118.68 112.39 1xqq s LEU 73 Ca 0.40 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1xqq s LEU 73 Cb -0.10 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1xqq s LEU 73 CO 0.32 -0.15 0.00 0.54 0.23 0.00 0.00 176.35 177.29 1xqq n ARG 74 N -0.96 0.21 -2.01 1.70 1.74 -1.26 -4.83 116.66 111.25 1xqq n ARG 74 Ca -0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1xqq n ARG 74 Cb 0.54 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 5.00 0.31 0.00 -0.13 0.00 -1.26 -5.27 105.19 103.84 1xqq n GLY 75 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93