#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 3.38 0.15 3.17 -0.21 -1.26 -1.83 119.66 123.06 1xqq s GLN 2 Ca 0.00 -0.66 0.05 0.00 0.02 0.00 0.00 55.36 54.77 1xqq s GLN 2 Cb 0.00 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 1xqq s GLN 2 CO 0.00 0.25 -0.10 0.96 -2.12 0.00 0.00 175.29 174.27 1xqq s ILE 3 N 0.28 1.20 0.13 1.08 -4.36 0.58 -0.19 121.20 119.92 1xqq s ILE 3 Ca -0.09 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.31 1xqq s ILE 3 Cb -0.15 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 1xqq s ILE 3 CO 0.05 -0.74 -0.07 -0.36 0.24 0.00 0.00 174.94 174.06 1xqq s PHE 4 N -3.31 2.76 -0.10 1.37 0.08 -0.56 -0.02 117.98 118.21 1xqq s PHE 4 Ca 0.17 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1xqq s PHE 4 Cb 0.02 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1xqq s PHE 4 CO 0.01 0.46 -0.11 0.08 -0.10 0.00 0.00 175.22 175.56 1xqq s VAL 5 N -1.40 1.17 -0.02 -0.44 1.01 -0.65 -1.58 120.40 118.49 1xqq s VAL 5 Ca 0.23 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1xqq s VAL 5 Cb -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1xqq s VAL 5 CO 0.15 0.38 -0.03 -0.75 0.00 0.00 0.00 175.10 174.85 1xqq s LYS 6 N 1.20 0.41 0.42 2.72 2.20 -0.97 -1.88 119.74 123.83 1xqq s LYS 6 Ca -0.04 -0.08 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1xqq s LYS 6 Cb -0.14 -0.45 0.10 0.00 -1.51 0.00 0.00 37.83 35.83 1xqq s LYS 6 CO -0.03 0.01 0.57 0.25 -0.36 0.00 0.00 175.35 175.78 1xqq n THR 7 N 3.45 0.00 -0.09 3.43 -2.24 -1.19 -0.06 114.28 117.57 1xqq n THR 7 Ca -0.19 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 1xqq n THR 7 Cb 0.55 -1.75 -0.04 0.00 -2.10 0.00 0.00 70.33 66.99 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 0.67 -0.15 3.22 3.38 -1.95 -3.27 115.31 117.21 1xqq h LEU 8 Ca -0.18 -0.44 -0.23 0.00 0.09 0.00 0.00 57.88 57.12 1xqq h LEU 8 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xqq h LEU 8 CO 0.13 0.97 -0.97 0.71 0.09 0.00 0.00 178.44 179.38 1xqq h THR 9 N 0.38 1.44 0.00 0.22 1.35 -1.95 -3.48 112.91 110.87 1xqq h THR 9 Ca 0.05 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1xqq h THR 9 Cb 0.76 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1xqq h THR 9 CO 0.06 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1xqq n GLY 10 N 1.02 0.72 3.39 5.82 0.00 -1.23 -5.10 105.19 109.81 1xqq n GLY 10 Ca -0.06 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.97 3.05 -0.15 1.61 2.47 -1.26 -4.89 119.74 119.59 1xqq s LYS 11 Ca 0.00 -1.24 -0.08 0.00 -1.56 0.00 0.00 55.97 53.09 1xqq s LYS 11 Cb 0.00 -4.18 -0.04 0.00 -1.46 0.00 0.00 37.83 32.14 1xqq s LYS 11 CO 0.00 -1.28 0.13 0.99 0.16 0.00 0.00 175.35 175.35 1xqq s THR 12 N 2.27 5.45 0.09 3.43 2.01 -1.26 -3.17 115.64 124.45 1xqq s THR 12 Ca 0.10 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1xqq s THR 12 Cb -0.23 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1xqq s THR 12 CO 0.08 0.54 0.01 0.27 -0.69 0.00 0.00 174.62 174.83 1xqq s ILE 13 N -0.45 0.17 -0.14 1.82 -4.36 -0.79 -5.01 121.20 112.45 1xqq s ILE 13 Ca 0.12 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1xqq s ILE 13 Cb -0.12 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.87 1xqq s ILE 13 CO 0.01 -0.77 -0.11 -0.89 0.24 0.00 0.00 174.94 173.43 1xqq s THR 14 N -3.97 1.32 -0.14 8.37 2.01 -1.26 -1.64 115.64 120.32 1xqq s THR 14 Ca 0.14 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1xqq s THR 14 Cb 0.08 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1xqq s THR 14 CO -0.05 0.39 0.05 -0.76 -0.69 0.00 0.00 174.62 173.56 1xqq s LEU 15 N 1.58 3.80 -0.34 4.42 2.01 0.97 -4.90 118.68 126.21 1xqq s LEU 15 Ca 0.04 0.14 -0.14 0.00 0.01 0.00 0.00 54.13 54.19 1xqq s LEU 15 Cb -0.13 -1.93 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 1xqq s LEU 15 CO -0.09 0.26 0.29 -1.61 1.01 0.00 0.00 176.35 176.21 1xqq s GLU 16 N -0.18 3.54 0.33 1.70 2.02 -1.26 -0.31 118.70 124.54 1xqq s GLU 16 Ca 0.07 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1xqq s GLU 16 Cb -0.12 -3.80 -0.01 0.00 0.10 0.00 0.00 34.13 30.30 1xqq s GLU 16 CO 0.01 -0.47 0.40 0.14 0.02 0.00 0.00 175.26 175.36 1xqq s VAL 17 N 1.84 0.00 0.28 2.63 -7.23 -0.76 -4.94 120.40 112.21 1xqq s VAL 17 Ca 0.08 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 58.63 1xqq s VAL 17 Cb -0.17 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1xqq s VAL 17 CO 0.11 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.18 1xqq s GLU 18 N -3.27 1.96 0.00 4.82 0.41 -1.26 0.13 118.70 121.49 1xqq s GLU 18 Ca 0.34 -1.62 0.20 0.00 -0.41 0.00 0.00 54.97 53.48 1xqq s GLU 18 Cb 0.01 -1.94 1.19 0.00 -1.78 0.00 0.00 34.13 31.61 1xqq s GLU 18 CO 0.21 0.34 1.66 -2.30 -0.49 0.00 0.00 175.26 174.69 1xqq n PRO 19 N -0.75 0.83 0.09 0.39 -0.02 -1.26 -1.10 135.00 133.18 1xqq n PRO 19 Ca -0.06 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1xqq n PRO 19 Cb 0.60 -1.37 0.45 0.00 -0.02 0.00 0.00 33.50 33.15 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xqq n SER 20 N -0.87 0.62 -4.76 2.55 3.41 -1.26 -1.86 113.62 111.45 1xqq n SER 20 Ca 0.15 0.58 -0.40 0.00 -0.26 0.00 0.00 58.87 58.94 1xqq n SER 20 Cb 0.07 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 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 -4.17 7.34 0.64 4.04 1.01 -0.26 -4.81 116.67 120.46 1xqq s ASP 21 Ca 0.10 1.59 -0.13 0.00 0.71 0.00 0.00 52.55 54.82 1xqq s ASP 21 Cb 0.13 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1xqq s ASP 21 CO 0.53 0.12 1.05 0.42 0.21 0.00 0.00 175.17 177.49 1xqq s THR 22 N -0.66 4.14 0.22 -1.27 -4.23 -1.26 -2.13 115.64 110.45 1xqq s THR 22 Ca 0.38 0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 61.61 1xqq s THR 22 Cb -0.22 -3.50 0.16 0.00 1.34 0.00 0.00 72.50 70.28 1xqq s THR 22 CO 0.25 -0.80 1.73 0.40 -0.54 0.00 0.00 174.62 175.67 1xqq h ILE 23 N -0.20 0.72 -0.21 2.99 1.08 -1.34 -1.02 117.51 119.53 1xqq h ILE 23 Ca -0.45 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1xqq h ILE 23 Cb 1.21 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1xqq h ILE 23 CO 0.58 0.07 0.14 -0.08 -0.69 0.00 0.00 178.15 178.17 1xqq h GLU 24 N 0.39 0.28 -0.67 2.37 4.81 -1.33 -0.05 114.58 120.37 1xqq h GLU 24 Ca 0.33 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1xqq h GLU 24 Cb 0.45 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1xqq h GLU 24 CO -0.35 0.18 0.20 -0.91 -0.73 0.00 0.00 179.01 177.41 1xqq h ASN 25 N 0.29 0.96 -0.29 1.04 2.35 -1.69 0.60 115.58 118.84 1xqq h ASN 25 Ca 0.08 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1xqq h ASN 25 Cb -0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1xqq h ASN 25 CO -0.02 0.91 0.19 0.58 -1.65 0.00 0.00 177.43 177.44 1xqq h VAL 26 N 0.99 1.06 -0.99 2.81 2.07 -0.85 0.18 116.25 121.52 1xqq h VAL 26 Ca 0.22 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1xqq h VAL 26 Cb 0.30 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1xqq h VAL 26 CO -0.01 0.07 0.65 0.11 0.02 0.00 0.00 177.57 178.42 1xqq h LYS 27 N 0.38 1.23 0.00 1.57 1.57 -0.49 -0.80 116.57 120.03 1xqq h LYS 27 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xqq h LYS 27 Cb -0.04 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1xqq h LYS 27 CO -0.03 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1xqq h ALA 28 N 1.42 1.00 -0.34 3.86 0.00 -0.47 -0.61 119.26 124.12 1xqq h ALA 28 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1xqq h ALA 28 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xqq h ALA 28 CO -0.12 0.00 -0.04 -0.22 0.00 0.00 0.00 179.25 178.87 1xqq h LYS 29 N 0.00 0.63 -0.08 0.00 1.63 0.48 -2.84 116.57 116.39 1xqq h LYS 29 Ca 0.00 -0.22 -0.16 0.00 -0.85 0.00 0.00 60.65 59.42 1xqq h LYS 29 Cb 0.59 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1xqq h LYS 29 CO 0.00 0.78 -0.58 0.82 -3.45 0.00 0.00 179.45 177.02 1xqq h ILE 30 N 0.43 1.36 -0.79 2.00 2.04 -1.39 -0.57 117.51 120.59 1xqq h ILE 30 Ca 0.09 -1.91 0.18 0.00 1.00 0.00 0.00 64.86 64.22 1xqq h ILE 30 Cb 0.52 2.26 -0.12 0.00 -0.74 0.00 0.00 36.82 38.74 1xqq h ILE 30 CO 0.03 0.58 0.22 -0.61 0.00 0.00 0.00 178.15 178.36 1xqq h GLN 31 N 0.14 0.27 0.51 2.37 4.15 -1.18 0.28 115.11 121.65 1xqq h GLN 31 Ca -0.05 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1xqq h GLN 31 Cb 1.24 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.87 1xqq h GLN 31 CO 0.12 0.18 -0.25 0.22 -1.93 0.00 0.00 178.83 177.17 1xqq h ASP 32 N 0.28 -0.58 0.63 -0.69 3.58 -1.33 -2.80 116.42 115.50 1xqq h ASP 32 Ca 0.46 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.82 1xqq h ASP 32 Cb 0.83 0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.04 1xqq h ASP 32 CO -0.55 -0.22 -0.30 0.11 -2.88 0.00 0.00 179.24 175.40 1xqq h LYS 33 N -0.99 -0.82 0.05 0.28 1.57 -1.00 -3.40 116.57 112.27 1xqq h LYS 33 Ca -0.07 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xqq h LYS 33 Cb 0.61 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1xqq h LYS 33 CO 0.12 -0.50 -0.02 1.49 -0.57 0.00 0.00 179.45 179.96 1xqq h GLU 34 N -1.08 -0.06 0.00 3.15 4.57 -0.65 -3.49 114.58 117.01 1xqq h GLU 34 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1xqq h GLU 34 Cb 0.69 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1xqq h GLU 34 CO 0.14 -0.04 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 1xqq n GLY 35 N 1.25 1.95 3.68 1.92 0.00 -0.94 -5.01 105.19 108.04 1xqq n GLY 35 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 5.03 0.64 -0.61 1.01 -1.26 -5.00 121.20 119.00 1xqq s ILE 36 Ca 0.00 1.28 -0.15 0.00 0.00 0.00 0.00 60.65 61.78 1xqq s ILE 36 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1xqq s ILE 36 CO 0.00 0.16 1.09 -2.84 0.00 0.00 0.00 174.94 173.35 1xqq s PRO 37 N 1.53 2.97 0.29 2.79 0.02 -1.26 -4.16 135.00 137.18 1xqq s PRO 37 Ca 0.32 1.34 0.25 0.00 0.02 0.00 0.00 61.00 62.92 1xqq s PRO 37 Cb -0.16 -1.98 1.02 0.00 0.02 0.00 0.00 34.50 33.40 1xqq s PRO 37 CO 0.12 -1.11 1.74 -1.35 -0.33 0.00 0.00 177.00 176.08 1xqq h PRO 38 N 0.18 0.00 0.00 5.54 0.11 -1.91 -1.40 132.00 134.52 1xqq h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 38 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xqq h PRO 38 CO 0.55 0.00 -0.59 0.38 -0.21 0.00 0.00 178.00 178.13 1xqq h ASP 39 N 0.00 0.00 0.17 -2.05 2.03 -1.99 -3.32 116.42 111.25 1xqq h ASP 39 Ca 0.00 -0.12 -0.35 0.00 -0.73 0.00 0.00 57.03 55.83 1xqq h ASP 39 Cb 0.39 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.84 1xqq h ASP 39 CO 0.00 0.06 -2.12 1.67 -1.03 0.00 0.00 179.24 177.82 1xqq n GLN 40 N -2.36 0.68 -1.97 4.15 7.27 -0.65 -4.85 117.38 119.66 1xqq n GLN 40 Ca 0.03 0.18 -0.41 0.00 0.07 0.00 0.00 57.00 56.87 1xqq n GLN 40 Cb 0.47 -1.64 -0.02 0.00 2.41 0.00 0.00 30.24 31.46 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -2.54 4.24 -0.02 3.69 -0.21 -0.62 -1.10 119.66 123.10 1xqq s GLN 41 Ca -0.17 2.36 0.00 0.00 0.02 0.00 0.00 55.36 57.56 1xqq s GLN 41 Cb 0.07 -3.09 0.03 0.00 1.00 0.00 0.00 33.01 31.02 1xqq s GLN 41 CO 0.76 -0.46 0.02 0.50 -2.12 0.00 0.00 175.29 173.99 1xqq s ARG 42 N -0.47 0.07 -0.07 2.91 6.06 -0.98 -4.93 118.95 121.55 1xqq s ARG 42 Ca 0.60 0.14 -0.14 0.00 -2.50 0.00 0.00 55.73 53.82 1xqq s ARG 42 Cb -0.43 -0.31 -0.05 0.00 0.06 0.00 0.00 34.95 34.22 1xqq s ARG 42 CO 0.45 -0.15 0.37 -0.51 -2.50 0.00 0.00 175.30 172.96 1xqq s LEU 43 N 0.99 4.37 -0.06 -0.88 1.43 -1.26 -1.82 118.68 121.46 1xqq s LEU 43 Ca -0.09 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1xqq s LEU 43 Cb -0.12 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1xqq s LEU 43 CO -0.02 0.22 -0.15 -0.63 0.23 0.00 0.00 176.35 175.99 1xqq s ILE 44 N -0.37 1.31 -0.11 -0.59 1.01 0.38 -2.40 121.20 120.44 1xqq s ILE 44 Ca 0.22 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1xqq s ILE 44 Cb -0.15 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1xqq s ILE 44 CO 0.10 0.39 -0.17 0.12 0.00 0.00 0.00 174.94 175.37 1xqq s PHE 45 N 0.39 2.71 0.00 3.97 5.36 0.81 0.34 117.98 131.57 1xqq s PHE 45 Ca -0.11 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 1xqq s PHE 45 Cb -0.14 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1xqq s PHE 45 CO 0.04 -0.25 0.00 0.00 -1.46 0.00 0.00 175.22 173.54 1xqq n ALA 46 N 3.42 0.00 1.02 11.12 0.00 -1.26 -1.07 120.51 133.74 1xqq n ALA 46 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.57 3.20 0.00 0.00 -1.26 -5.04 105.19 101.51 1xqq n GLY 47 Ca 0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.75 1.20 -0.24 1.61 1.02 -0.23 -5.12 119.74 115.23 1xqq s LYS 48 Ca 0.14 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.17 1xqq s LYS 48 Cb 0.17 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 1xqq s LYS 48 CO 0.70 0.32 0.23 -0.65 -0.92 0.00 0.00 175.35 175.03 1xqq s GLN 49 N -1.10 4.08 0.14 1.68 -0.21 -1.26 -0.13 119.66 122.85 1xqq s GLN 49 Ca 0.05 -0.15 -0.17 0.00 0.02 0.00 0.00 55.36 55.11 1xqq s GLN 49 Cb -0.08 -3.56 -0.07 0.00 1.00 0.00 0.00 33.01 30.30 1xqq s GLN 49 CO 0.01 -0.01 0.60 -0.51 -2.12 0.00 0.00 175.29 173.27 1xqq s LEU 50 N 1.26 4.40 0.32 2.90 2.01 -1.01 -4.97 118.68 123.60 1xqq s LEU 50 Ca 0.11 1.23 -0.15 0.00 0.01 0.00 0.00 54.13 55.32 1xqq s LEU 50 Cb -0.14 -3.24 -0.09 0.00 0.01 0.00 0.00 46.19 42.73 1xqq s LEU 50 CO 0.06 0.14 0.74 -1.61 1.01 0.00 0.00 176.35 176.69 1xqq s GLU 51 N -1.70 4.01 0.09 1.70 0.41 -1.26 -4.83 118.70 117.13 1xqq s GLU 51 Ca 0.36 0.69 -0.19 0.00 -0.41 0.00 0.00 54.97 55.43 1xqq s GLU 51 Cb -0.17 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 1xqq s GLU 51 CO 0.20 0.16 1.32 -0.44 -0.49 0.00 0.00 175.26 176.00 1xqq h ASP 52 N 2.27 -1.26 -1.93 -0.19 3.32 -1.97 -3.16 116.42 113.50 1xqq h ASP 52 Ca -0.48 0.19 -0.72 0.00 0.02 0.00 0.00 57.03 56.04 1xqq h ASP 52 Cb 1.17 0.55 -0.31 0.00 0.22 0.00 0.00 39.33 40.97 1xqq h ASP 52 CO 0.65 -0.15 0.57 0.61 -1.72 0.00 0.00 179.24 179.20 1xqq n GLY 53 N -1.16 5.71 3.59 2.75 0.00 -1.26 -0.97 105.19 113.85 1xqq n GLY 53 Ca 0.01 -2.57 -0.27 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.95 1.93 0.49 1.61 1.81 -1.20 -4.99 118.95 114.64 1xqq s ARG 54 Ca 0.50 -2.14 0.06 0.00 -1.72 0.00 0.00 55.73 52.42 1xqq s ARG 54 Cb 0.40 -1.24 -0.00 0.00 -0.45 0.00 0.00 34.95 33.66 1xqq s ARG 54 CO -0.32 -0.23 0.27 0.95 -0.68 0.00 0.00 175.30 175.28 1xqq s THR 55 N -2.99 1.87 0.24 0.02 -4.23 -1.26 -1.51 115.64 107.77 1xqq s THR 55 Ca 0.26 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 1xqq s THR 55 Cb 0.06 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.64 1xqq s THR 55 CO 0.13 0.00 1.89 -0.07 -0.54 0.00 0.00 174.62 176.03 1xqq h LEU 56 N 1.08 0.98 -0.61 4.79 3.38 -1.49 -2.91 115.31 120.52 1xqq h LEU 56 Ca -0.40 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 1xqq h LEU 56 Cb 1.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.64 0.68 -0.49 -1.28 0.09 0.00 0.00 178.44 178.07 1xqq h SER 57 N 1.15 0.55 -0.13 -0.43 0.87 -1.60 0.18 113.55 114.15 1xqq h SER 57 Ca 0.36 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1xqq h SER 57 Cb -0.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1xqq h SER 57 CO -0.11 0.96 0.06 0.44 -0.53 0.00 0.00 176.83 177.64 1xqq h ASP 58 N 0.40 0.16 0.91 6.23 3.32 -1.80 -2.66 116.42 122.98 1xqq h ASP 58 Ca 0.02 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1xqq h ASP 58 Cb 1.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1xqq h ASP 58 CO 0.09 0.23 -0.38 1.88 -1.72 0.00 0.00 179.24 179.34 1xqq h TYR 59 N 0.09 0.00 -2.53 4.55 0.05 -1.57 -3.48 116.97 114.08 1xqq h TYR 59 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1xqq h TYR 59 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1xqq h TYR 59 CO -0.03 0.38 0.00 0.09 -1.05 0.00 0.00 178.16 177.54 1xqq n ASN 60 N -3.49 -1.68 -4.27 3.88 4.13 -0.82 -5.07 115.26 107.93 1xqq n ASN 60 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 1xqq n ASN 60 Cb 0.52 -0.72 -0.14 0.00 -1.54 0.00 0.00 39.78 37.90 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 -2.84 3.30 0.00 2.41 1.01 0.58 -5.02 121.20 120.64 1xqq s ILE 61 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1xqq s ILE 61 Cb 0.00 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1xqq s ILE 61 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.21 1xqq n GLN 62 N 4.76 2.22 -2.36 2.79 6.02 -1.26 -4.49 117.38 125.06 1xqq n GLN 62 Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 1xqq n GLN 62 Cb 0.49 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.72 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xqq s LYS 63 N 0.59 4.42 -1.96 -1.09 2.20 -1.26 -3.12 119.74 119.52 1xqq s LYS 63 Ca 0.00 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1xqq s LYS 63 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1xqq s LYS 63 CO 0.00 -0.25 0.00 0.39 -0.36 0.00 0.00 175.35 175.13 1xqq n GLU 64 N 3.56 -1.51 -3.18 4.03 1.02 0.73 -4.95 120.64 120.34 1xqq n GLU 64 Ca 0.08 1.11 -0.30 0.00 -0.02 0.00 0.00 57.16 58.03 1xqq n GLU 64 Cb 0.45 -5.59 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 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 -2.46 6.52 -0.29 1.62 0.01 -1.18 -4.81 113.70 113.11 1xqq s SER 65 Ca 0.00 0.92 -0.00 0.00 1.31 0.00 0.00 55.95 58.18 1xqq s SER 65 Cb 0.00 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 64.05 1xqq s SER 65 CO 0.00 -0.24 -0.03 -0.89 0.41 0.00 0.00 173.24 172.48 1xqq s THR 66 N -2.13 2.72 -0.08 1.44 2.01 -1.26 -1.49 115.64 116.84 1xqq s THR 66 Ca 0.48 -1.49 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 1xqq s THR 66 Cb -0.11 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1xqq s THR 66 CO 0.28 -0.10 0.52 -0.76 -0.69 0.00 0.00 174.62 173.87 1xqq s LEU 67 N 1.20 4.32 0.04 4.42 1.02 -0.61 -4.78 118.68 124.28 1xqq s LEU 67 Ca -0.06 0.93 -0.30 0.00 0.02 0.00 0.00 54.13 54.72 1xqq s LEU 67 Cb -0.20 -2.77 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 1xqq s LEU 67 CO -0.02 0.03 0.96 -1.00 0.02 0.00 0.00 176.35 176.34 1xqq s HIS 68 N 0.35 3.72 -0.31 0.29 3.76 0.15 -2.30 115.29 120.96 1xqq s HIS 68 Ca 0.28 1.72 -0.11 0.00 -0.15 0.00 0.00 55.06 56.80 1xqq s HIS 68 Cb -0.16 -3.07 -0.02 0.00 1.11 0.00 0.00 32.58 30.44 1xqq s HIS 68 CO 0.13 0.09 0.19 -1.17 -0.85 0.00 0.00 174.74 173.12 1xqq s LEU 69 N 0.56 4.20 -0.36 0.89 2.96 0.91 -0.47 118.68 127.37 1xqq s LEU 69 Ca 0.49 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.94 1xqq s LEU 69 Cb -0.22 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.43 1xqq s LEU 69 CO 0.28 -0.17 0.18 -0.69 -1.32 0.00 0.00 176.35 174.63 1xqq s VAL 70 N 1.68 4.32 -0.24 1.68 1.01 -0.75 -3.63 120.40 124.46 1xqq s VAL 70 Ca 0.06 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1xqq s VAL 70 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1xqq s VAL 70 CO 0.09 -0.23 0.46 -0.76 0.00 0.00 0.00 175.10 174.66 1xqq s LEU 71 N 1.50 4.09 0.35 3.92 1.02 -1.26 -2.31 118.68 125.99 1xqq s LEU 71 Ca 0.01 0.50 -0.29 0.00 0.02 0.00 0.00 54.13 54.37 1xqq s LEU 71 Cb -0.19 -2.59 -0.11 0.00 0.02 0.00 0.00 46.19 43.32 1xqq s LEU 71 CO 0.05 -0.20 1.42 -0.60 0.02 0.00 0.00 176.35 177.04 1xqq s ARG 72 N 1.92 4.22 -0.16 1.70 3.52 -0.26 -4.98 118.95 124.91 1xqq s ARG 72 Ca 0.20 2.41 -0.09 0.00 -0.13 0.00 0.00 55.73 58.12 1xqq s ARG 72 Cb -0.15 -3.02 -0.23 0.00 -1.56 0.00 0.00 34.95 29.98 1xqq s ARG 72 CO 0.09 -0.39 0.26 -0.11 -0.81 0.00 0.00 175.30 174.33 1xqq n LEU 73 N 0.79 2.49 0.01 -0.88 7.94 -1.26 -4.98 117.00 121.11 1xqq n LEU 73 Ca 0.01 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1xqq n LEU 73 Cb 0.40 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1xqq n LEU 73 CO 0.62 0.74 0.00 -1.14 -1.11 0.00 0.00 177.39 176.49 1xqq n ARG 74 N -3.68 0.00 -3.65 1.96 3.00 -1.26 -5.15 116.66 107.87 1xqq n ARG 74 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 1xqq n ARG 74 Cb 0.96 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.36 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xqq s GLY 75 N -2.19 0.55 0.00 5.14 0.00 -1.26 -5.13 107.32 104.42 1xqq s GLY 75 Ca 0.00 3.75 0.00 0.00 0.00 0.00 0.00 44.72 48.47 1xqq s GLY 75 CO 0.00 2.44 0.00 0.61 0.00 0.00 0.00 173.10 176.15