#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 2.96 0.21 3.17 -0.21 -1.26 -0.49 119.66 124.04 1xqq s GLN 2 Ca 0.00 -0.68 0.09 0.00 0.02 0.00 0.00 55.36 54.79 1xqq s GLN 2 Cb 0.00 -2.52 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1xqq s GLN 2 CO 0.00 0.42 -0.17 0.96 -2.12 0.00 0.00 175.29 174.38 1xqq s ILE 3 N -0.20 1.97 -0.33 1.08 -4.36 -0.28 -0.64 121.20 118.44 1xqq s ILE 3 Ca 0.00 -2.15 -0.10 0.00 -0.26 0.00 0.00 60.65 58.14 1xqq s ILE 3 Cb -0.13 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1xqq s ILE 3 CO 0.03 -0.43 0.17 -0.36 0.24 0.00 0.00 174.94 174.59 1xqq s PHE 4 N -2.49 3.20 -0.33 1.37 0.08 -0.28 -0.52 117.98 119.00 1xqq s PHE 4 Ca 0.22 -0.64 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 1xqq s PHE 4 Cb -0.04 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 1xqq s PHE 4 CO 0.09 -0.50 0.35 0.08 -0.10 0.00 0.00 175.22 175.14 1xqq s VAL 5 N 1.61 5.18 -0.13 -0.44 1.01 -0.36 -1.01 120.40 126.25 1xqq s VAL 5 Ca 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1xqq s VAL 5 Cb -0.18 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1xqq s VAL 5 CO 0.07 -0.05 -0.02 -0.54 0.00 0.00 0.00 175.10 174.56 1xqq s LYS 6 N 2.00 3.43 0.34 2.72 1.02 -0.51 0.07 119.74 128.82 1xqq s LYS 6 Ca 0.12 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 1xqq s LYS 6 Cb -0.16 -2.88 0.08 0.00 -0.52 0.00 0.00 37.83 34.34 1xqq s LYS 6 CO 0.11 0.42 0.46 0.25 -0.92 0.00 0.00 175.35 175.67 1xqq n THR 7 N 3.01 0.00 0.09 2.17 -2.24 -0.66 -0.69 114.28 115.95 1xqq n THR 7 Ca -0.18 -0.34 -0.22 0.00 -2.27 0.00 0.00 64.05 61.05 1xqq n THR 7 Cb 0.53 -1.82 -0.15 0.00 -2.10 0.00 0.00 70.33 66.79 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.66 0.00 3.22 5.85 -1.91 -3.40 115.31 119.73 1xqq h LEU 8 Ca -0.15 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.66 1xqq h LEU 8 Cb 0.41 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1xqq h LEU 8 CO 0.10 1.52 0.00 0.35 -0.34 0.00 0.00 178.44 180.07 1xqq n THR 9 N -3.95 0.00 0.00 1.05 -2.24 -1.26 -5.00 114.28 102.88 1xqq n THR 9 Ca -0.15 1.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.70 1xqq n THR 9 Cb 0.93 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 0.28 -0.65 3.43 3.38 0.00 -1.26 -5.15 105.19 105.22 1xqq n GLY 10 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 1.91 -0.23 1.61 2.20 -1.26 -4.98 119.74 118.99 1xqq s LYS 11 Ca 0.00 -1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 54.51 1xqq s LYS 11 Cb 0.00 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1xqq s LYS 11 CO 0.00 0.52 -0.07 0.99 -0.36 0.00 0.00 175.35 176.43 1xqq s THR 12 N -0.95 2.97 -0.44 3.43 2.01 -1.26 -1.66 115.64 119.74 1xqq s THR 12 Ca 0.14 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1xqq s THR 12 Cb -0.10 -2.42 0.08 0.00 0.01 0.00 0.00 72.50 70.07 1xqq s THR 12 CO 0.05 0.32 0.32 -0.63 -0.69 0.00 0.00 174.62 173.99 1xqq s ILE 13 N 1.38 4.56 -0.42 1.82 1.09 0.11 -5.00 121.20 124.75 1xqq s ILE 13 Ca 0.03 -1.34 -0.22 0.00 -1.10 0.00 0.00 60.65 58.02 1xqq s ILE 13 Cb -0.15 -3.80 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1xqq s ILE 13 CO -0.05 -0.57 0.75 -0.89 -0.10 0.00 0.00 174.94 174.08 1xqq s THR 14 N 1.49 4.72 0.09 2.92 2.01 -1.26 -1.23 115.64 124.38 1xqq s THR 14 Ca 0.04 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.64 1xqq s THR 14 Cb -0.24 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 1xqq s THR 14 CO 0.03 -0.58 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.49 1xqq s LEU 15 N 3.12 2.89 -0.26 4.42 1.43 0.32 -4.92 118.68 125.67 1xqq s LEU 15 Ca 0.29 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1xqq s LEU 15 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1xqq s LEU 15 CO 0.20 0.20 0.08 -0.70 0.23 0.00 0.00 176.35 176.35 1xqq s GLU 16 N -2.03 3.55 0.25 1.70 2.12 -1.26 -1.13 118.70 121.89 1xqq s GLU 16 Ca 0.19 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.98 1xqq s GLU 16 Cb -0.11 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1xqq s GLU 16 CO 0.11 -0.24 0.12 0.14 -0.54 0.00 0.00 175.26 174.85 1xqq s VAL 17 N 1.60 0.33 0.32 3.70 -7.23 0.36 -4.94 120.40 114.55 1xqq s VAL 17 Ca 0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1xqq s VAL 17 Cb -0.16 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1xqq s VAL 17 CO 0.04 0.00 0.23 -1.61 -0.31 0.00 0.00 175.10 173.44 1xqq s GLU 18 N -4.04 2.63 0.42 4.82 2.02 -1.26 0.42 118.70 123.71 1xqq s GLU 18 Ca 0.38 -1.34 0.22 0.00 0.02 0.00 0.00 54.97 54.25 1xqq s GLU 18 Cb 0.07 -2.39 0.88 0.00 0.10 0.00 0.00 34.13 32.79 1xqq s GLU 18 CO 0.14 0.15 1.82 -1.35 0.02 0.00 0.00 175.26 176.03 1xqq h PRO 19 N 1.39 0.00 0.00 0.39 0.11 -1.97 -2.62 132.00 129.29 1xqq h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.60 0.27 0.00 0.43 -0.21 0.00 0.00 178.00 179.09 1xqq n SER 20 N -3.47 0.00 -4.79 -2.05 7.64 -1.26 -2.03 113.62 107.65 1xqq n SER 20 Ca -0.00 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.78 1xqq n SER 20 Cb 0.44 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.81 7.23 0.72 6.43 1.01 -0.99 -4.87 116.67 123.39 1xqq s ASP 21 Ca 0.14 1.57 -0.11 0.00 0.71 0.00 0.00 52.55 54.85 1xqq s ASP 21 Cb 0.13 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1xqq s ASP 21 CO 0.34 0.09 1.10 0.42 0.21 0.00 0.00 175.17 177.33 1xqq s THR 22 N -1.38 3.34 0.28 -1.27 -4.23 -1.26 -1.34 115.64 109.79 1xqq s THR 22 Ca 0.41 0.43 0.06 0.00 -1.18 0.00 0.00 61.69 61.41 1xqq s THR 22 Cb -0.20 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 22 CO 0.23 -0.57 1.67 0.40 -0.54 0.00 0.00 174.62 175.82 1xqq h ILE 23 N -0.69 1.33 -0.94 2.99 1.08 -1.21 -0.61 117.51 119.46 1xqq h ILE 23 Ca -0.45 -1.64 0.21 0.00 -0.39 0.00 0.00 64.86 62.58 1xqq h ILE 23 Cb 1.26 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 36.71 1xqq h ILE 23 CO 0.64 0.49 0.61 -0.08 -0.69 0.00 0.00 178.15 179.12 1xqq h GLU 24 N 0.18 0.46 -0.08 2.37 4.81 -0.81 -1.60 114.58 119.91 1xqq h GLU 24 Ca 0.01 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.02 1xqq h GLU 24 Cb 0.89 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1xqq h GLU 24 CO 0.07 0.30 -0.76 -0.97 -0.73 0.00 0.00 179.01 176.93 1xqq h ASN 25 N 0.47 0.56 -0.43 1.04 -0.73 -1.40 -2.12 115.58 112.97 1xqq h ASN 25 Ca 0.50 -0.38 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 1xqq h ASN 25 Cb 1.15 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 1xqq h ASN 25 CO -0.22 1.13 0.08 0.58 -0.37 0.00 0.00 177.43 178.63 1xqq h VAL 26 N 0.32 1.24 -0.58 2.57 2.07 -1.27 -2.35 116.25 118.25 1xqq h VAL 26 Ca -0.04 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.70 1xqq h VAL 26 Cb 1.35 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1xqq h VAL 26 CO 0.13 0.30 0.39 0.11 0.02 0.00 0.00 177.57 178.53 1xqq h LYS 27 N 0.57 0.40 0.00 1.57 1.57 -1.02 -1.76 116.57 117.89 1xqq h LYS 27 Ca 0.13 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 27 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1xqq h LYS 27 CO 0.01 0.27 -0.54 0.00 -0.57 0.00 0.00 179.45 178.61 1xqq h ALA 28 N 1.70 1.03 0.07 3.86 0.00 -0.83 -0.24 119.26 124.85 1xqq h ALA 28 Ca 0.27 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 1xqq h ALA 28 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xqq h ALA 28 CO -0.07 0.68 -1.09 0.87 0.00 0.00 0.00 179.25 179.64 1xqq h LYS 29 N 0.00 0.25 -0.15 0.00 1.79 -1.41 -1.81 116.57 115.25 1xqq h LYS 29 Ca -0.01 -0.36 -0.12 0.00 -2.18 0.00 0.00 60.65 57.99 1xqq h LYS 29 Cb 1.01 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1xqq h LYS 29 CO 0.07 1.12 -0.42 0.82 -1.08 0.00 0.00 179.45 179.96 1xqq h ILE 30 N 0.10 1.31 -0.60 1.86 2.04 -0.45 -1.58 117.51 120.19 1xqq h ILE 30 Ca -0.09 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.22 1xqq h ILE 30 Cb 1.78 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 1xqq h ILE 30 CO 0.17 0.48 0.38 -0.61 0.00 0.00 0.00 178.15 178.57 1xqq h GLN 31 N 0.29 0.75 -0.54 2.37 4.15 -1.10 0.21 115.11 121.24 1xqq h GLN 31 Ca 0.02 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1xqq h GLN 31 Cb 0.86 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1xqq h GLN 31 CO 0.07 0.49 0.02 0.22 -1.93 0.00 0.00 178.83 177.71 1xqq h ASP 32 N 0.77 0.91 0.03 -0.69 3.58 -0.63 -0.52 116.42 119.88 1xqq h ASP 32 Ca 0.23 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1xqq h ASP 32 Cb -0.04 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.76 1xqq h ASP 32 CO -0.07 0.98 -0.02 0.11 -2.88 0.00 0.00 179.24 177.37 1xqq h LYS 33 N 0.82 -0.04 0.00 0.28 1.79 -1.33 -3.43 116.57 114.66 1xqq h LYS 33 Ca 0.16 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1xqq h LYS 33 Cb 0.50 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1xqq h LYS 33 CO 0.02 -0.03 -1.03 0.93 -1.08 0.00 0.00 179.45 178.26 1xqq h GLU 34 N -0.62 0.00 -0.37 3.15 4.39 -0.60 -3.48 114.58 117.05 1xqq h GLU 34 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xqq h GLU 34 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xqq h GLU 34 CO 0.01 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 1xqq n GLY 35 N 1.21 0.73 3.45 -3.84 0.00 -0.20 -4.98 105.19 101.56 1xqq n GLY 35 Ca -0.01 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.37 4.04 0.54 -0.61 1.01 -1.26 -5.00 121.20 117.53 1xqq s ILE 36 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 1xqq s ILE 36 Cb 0.00 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1xqq s ILE 36 CO 0.00 0.41 1.22 -2.84 0.00 0.00 0.00 174.94 173.74 1xqq s PRO 37 N 1.08 3.29 0.43 2.79 0.02 -1.26 -4.14 135.00 137.22 1xqq s PRO 37 Ca 0.03 1.89 0.24 0.00 0.02 0.00 0.00 61.00 63.17 1xqq s PRO 37 Cb -0.14 -2.16 0.55 0.00 0.02 0.00 0.00 34.50 32.77 1xqq s PRO 37 CO 0.02 -0.96 1.68 -1.00 -0.33 0.00 0.00 177.00 176.40 1xqq h PRO 38 N 1.41 0.00 0.00 5.54 0.13 -1.90 -1.41 132.00 135.78 1xqq h PRO 38 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1xqq h PRO 38 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.57 0.13 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.61 1xqq h ASP 39 N 0.00 0.00 1.21 1.44 3.32 -2.00 -3.26 116.42 117.12 1xqq h ASP 39 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1xqq h ASP 39 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1xqq h ASP 39 CO 0.02 0.42 -0.82 -0.61 -1.72 0.00 0.00 179.24 176.53 1xqq h GLN 40 N 0.00 0.00 -6.20 3.56 5.75 -1.61 -3.46 115.11 113.15 1xqq h GLN 40 Ca -0.00 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.94 1xqq h GLN 40 Cb 0.84 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 1xqq h GLN 40 CO 0.05 0.61 -0.32 1.14 -2.65 0.00 0.00 178.83 177.67 1xqq s GLN 41 N -2.87 3.57 0.22 1.69 -2.07 -1.21 -0.89 119.66 118.10 1xqq s GLN 41 Ca 0.02 -0.20 0.01 0.00 -1.82 0.00 0.00 55.36 53.36 1xqq s GLN 41 Cb 0.08 -2.84 -0.05 0.00 -1.09 0.00 0.00 33.01 29.12 1xqq s GLN 41 CO 0.78 0.43 0.07 1.03 -1.32 0.00 0.00 175.29 176.28 1xqq s ARG 42 N -3.00 1.28 -0.05 9.60 0.52 0.91 -4.88 118.95 123.32 1xqq s ARG 42 Ca 0.40 -1.67 0.02 0.00 -0.52 0.00 0.00 55.73 53.96 1xqq s ARG 42 Cb -0.12 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.20 1xqq s ARG 42 CO 0.27 -0.26 -0.08 -0.51 0.02 0.00 0.00 175.30 174.74 1xqq s LEU 43 N -3.24 1.53 -0.26 2.53 1.43 -1.26 -2.71 118.68 116.70 1xqq s LEU 43 Ca 0.33 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1xqq s LEU 43 Cb 0.07 -0.62 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1xqq s LEU 43 CO 0.10 0.00 0.01 -0.63 0.23 0.00 0.00 176.35 176.07 1xqq s ILE 44 N 0.70 3.57 -0.54 -0.59 1.01 -0.37 -1.67 121.20 123.31 1xqq s ILE 44 Ca -0.12 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1xqq s ILE 44 Cb -0.14 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.65 1xqq s ILE 44 CO 0.02 0.21 0.59 0.12 0.00 0.00 0.00 174.94 175.88 1xqq s PHE 45 N 1.46 3.11 0.00 3.97 5.36 0.25 -0.85 117.98 131.28 1xqq s PHE 45 Ca 0.03 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 1xqq s PHE 45 Cb -0.16 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1xqq s PHE 45 CO -0.01 -1.09 0.00 0.00 -1.46 0.00 0.00 175.22 172.66 1xqq n ALA 46 N 5.86 0.00 0.53 11.12 0.00 -1.26 -1.50 120.51 135.25 1xqq n ALA 46 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 3.81 0.00 0.00 -1.26 -5.00 105.19 102.17 1xqq n GLY 47 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.68 3.01 0.08 1.61 1.02 -0.57 -5.12 119.74 117.09 1xqq s LYS 48 Ca 0.03 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.43 1xqq s LYS 48 Cb 0.12 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1xqq s LYS 48 CO 0.66 0.57 -0.03 -0.65 -0.92 0.00 0.00 175.35 174.99 1xqq s GLN 49 N -2.43 2.46 -0.28 1.68 -0.21 -1.26 -0.58 119.66 119.04 1xqq s GLN 49 Ca 0.31 -0.86 -0.20 0.00 0.02 0.00 0.00 55.36 54.62 1xqq s GLN 49 Cb -0.12 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.38 1xqq s GLN 49 CO 0.23 0.54 0.63 -0.51 -2.12 0.00 0.00 175.29 174.06 1xqq s LEU 50 N -2.19 4.10 0.45 2.90 1.43 -0.67 -4.95 118.68 119.75 1xqq s LEU 50 Ca 0.24 0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 53.72 1xqq s LEU 50 Cb -0.11 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 1xqq s LEU 50 CO 0.16 -0.42 0.97 -0.70 0.23 0.00 0.00 176.35 176.60 1xqq s GLU 51 N 2.55 4.10 0.35 1.70 2.56 -1.26 -4.70 118.70 124.00 1xqq s GLU 51 Ca 0.26 1.14 0.19 0.00 0.00 0.00 0.00 54.97 56.55 1xqq s GLU 51 Cb -0.15 -2.16 0.45 0.00 2.00 0.00 0.00 34.13 34.27 1xqq s GLU 51 CO 0.10 -0.14 1.62 -0.44 -0.56 0.00 0.00 175.26 175.84 1xqq h ASP 52 N 1.69 0.00 -0.34 -1.70 5.19 -1.98 -3.29 116.42 115.99 1xqq h ASP 52 Ca -0.49 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.78 1xqq h ASP 52 Cb 1.19 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.61 1xqq h ASP 52 CO 0.61 0.37 -0.03 0.61 -3.12 0.00 0.00 179.24 177.67 1xqq n GLY 53 N 0.71 4.69 3.85 2.75 0.00 -1.26 -0.13 105.19 115.80 1xqq n GLY 53 Ca 0.01 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.15 2.30 0.45 1.61 0.52 -1.24 -4.99 118.95 114.45 1xqq s ARG 54 Ca 0.44 -1.91 0.03 0.00 -0.52 0.00 0.00 55.73 53.78 1xqq s ARG 54 Cb 0.39 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.78 1xqq s ARG 54 CO 0.02 -0.41 0.64 0.95 0.02 0.00 0.00 175.30 176.53 1xqq s THR 55 N -2.68 3.43 0.40 0.02 -4.23 -1.26 -1.74 115.64 109.58 1xqq s THR 55 Ca 0.37 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1xqq s THR 55 Cb -0.01 -3.23 0.23 0.00 1.34 0.00 0.00 72.50 70.83 1xqq s THR 55 CO 0.22 -0.13 2.01 -0.07 -0.54 0.00 0.00 174.62 176.10 1xqq h LEU 56 N 0.44 0.42 -1.04 4.79 3.38 -1.09 -1.87 115.31 120.34 1xqq h LEU 56 Ca -0.44 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 56 Cb 1.27 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.53 0.37 0.64 0.28 0.09 0.00 0.00 178.44 180.35 1xqq h SER 57 N 0.47 1.09 -0.80 -0.43 0.02 -1.66 0.17 113.55 112.41 1xqq h SER 57 Ca 0.12 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1xqq h SER 57 Cb 0.08 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1xqq h SER 57 CO -0.01 0.77 0.52 0.44 -1.14 0.00 0.00 176.83 177.41 1xqq h ASP 58 N 1.28 0.77 -0.18 3.07 3.32 -1.63 -1.75 116.42 121.30 1xqq h ASP 58 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1xqq h ASP 58 Cb -0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1xqq h ASP 58 CO -0.10 0.50 0.00 -1.22 -1.72 0.00 0.00 179.24 176.70 1xqq n TYR 59 N -4.48 0.24 -2.73 4.55 4.01 -1.16 -4.99 117.16 112.59 1xqq n TYR 59 Ca 0.12 -0.25 -0.08 0.00 -0.16 0.00 0.00 57.90 57.53 1xqq n TYR 59 Cb 0.21 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.60 -2.85 -4.61 7.72 5.15 -0.23 -5.00 115.26 116.04 1xqq n ASN 60 Ca 0.09 -0.22 -0.39 0.00 -0.60 0.00 0.00 54.58 53.46 1xqq n ASN 60 Cb 0.36 -2.26 -0.09 0.00 -0.53 0.00 0.00 39.78 37.27 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.13 5.14 0.53 -1.44 1.01 0.42 -5.01 121.20 118.72 1xqq s ILE 61 Ca 0.11 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1xqq s ILE 61 Cb -0.05 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.74 1xqq s ILE 61 CO 0.28 0.13 0.73 0.00 0.00 0.00 0.00 174.94 176.07 1xqq s GLN 62 N 2.15 2.46 0.37 2.79 -2.07 -1.26 -4.60 119.66 119.51 1xqq s GLN 62 Ca 0.17 -1.45 -0.22 0.00 -1.82 0.00 0.00 55.36 52.04 1xqq s GLN 62 Cb -0.16 -2.67 -0.15 0.00 -1.09 0.00 0.00 33.01 28.94 1xqq s GLN 62 CO 0.10 -0.68 0.21 0.36 -1.32 0.00 0.00 175.29 173.96 1xqq n LYS 63 N -2.14 0.07 -0.99 9.60 2.85 -1.26 -3.35 118.16 122.94 1xqq n LYS 63 Ca 0.13 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1xqq n LYS 63 Cb 0.61 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 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 1.20 -0.88 -2.69 -1.58 1.02 0.18 -4.99 120.64 112.90 1xqq n GLU 64 Ca 0.12 0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 57.12 1xqq n GLU 64 Cb 0.37 -3.90 -0.06 0.00 -0.02 0.00 0.00 31.44 27.84 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 -2.03 7.07 -0.27 1.62 0.01 -1.21 -4.76 113.70 114.14 1xqq s SER 65 Ca 0.00 1.90 -0.10 0.00 1.31 0.00 0.00 55.95 59.06 1xqq s SER 65 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.26 0.17 -0.89 0.41 0.00 0.00 173.24 172.67 1xqq s THR 66 N -1.69 5.21 0.07 1.44 2.01 -1.26 -1.13 115.64 120.28 1xqq s THR 66 Ca 0.54 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1xqq s THR 66 Cb -0.19 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1xqq s THR 66 CO 0.24 0.28 0.09 -0.76 -0.69 0.00 0.00 174.62 173.79 1xqq s LEU 67 N 1.57 3.87 -0.43 4.42 1.43 -0.18 -4.54 118.68 124.82 1xqq s LEU 67 Ca 0.07 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1xqq s LEU 67 Cb -0.15 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1xqq s LEU 67 CO 0.09 0.19 0.34 -1.00 0.23 0.00 0.00 176.35 176.19 1xqq s HIS 68 N -1.37 3.24 -0.75 0.29 3.76 -0.03 -1.42 115.29 119.01 1xqq s HIS 68 Ca 0.29 -0.69 -0.24 0.00 -0.15 0.00 0.00 55.06 54.27 1xqq s HIS 68 Cb -0.12 -2.79 0.06 0.00 1.11 0.00 0.00 32.58 30.83 1xqq s HIS 68 CO 0.21 -0.66 1.14 -1.17 -0.85 0.00 0.00 174.74 173.41 1xqq s LEU 69 N 1.69 3.92 0.17 0.89 2.96 0.13 -1.23 118.68 127.21 1xqq s LEU 69 Ca 0.05 -0.94 0.04 0.00 -0.22 0.00 0.00 54.13 53.06 1xqq s LEU 69 Cb -0.21 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1xqq s LEU 69 CO 0.09 -1.56 0.27 0.68 -1.32 0.00 0.00 176.35 174.51 1xqq s VAL 70 N 4.63 5.13 0.19 1.68 -7.23 -1.10 -3.83 120.40 119.87 1xqq s VAL 70 Ca 0.30 -0.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1xqq s VAL 70 Cb -0.11 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1xqq s VAL 70 CO 0.08 -0.15 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.93 1xqq s LEU 71 N -3.39 3.20 -0.10 1.32 1.02 -1.26 -0.06 118.68 119.41 1xqq s LEU 71 Ca 0.34 -0.48 -0.26 0.00 0.02 0.00 0.00 54.13 53.75 1xqq s LEU 71 Cb -0.10 -1.85 -0.22 0.00 0.02 0.00 0.00 46.19 44.04 1xqq s LEU 71 CO 0.28 0.08 0.87 0.03 0.02 0.00 0.00 176.35 177.63 1xqq h ARG 72 N 2.66 -0.03 0.00 1.70 3.08 -1.36 -3.46 114.38 116.97 1xqq h ARG 72 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1xqq h ARG 72 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1xqq h ARG 72 CO 0.57 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 181.47 1xqq n LEU 73 N -4.72 -0.60 -4.82 3.04 4.77 -1.26 -5.08 117.00 108.32 1xqq n LEU 73 Ca -0.09 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 1xqq n LEU 73 Cb 0.37 0.72 0.01 0.00 -2.33 0.00 0.00 43.42 42.18 1xqq n LEU 73 CO 0.31 -0.56 0.71 -0.13 -1.33 0.00 0.00 177.39 176.38 1xqq s ARG 74 N -2.00 3.43 0.00 3.23 0.52 -1.26 -5.05 118.95 117.82 1xqq s ARG 74 Ca 0.00 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1xqq s ARG 74 Cb 0.00 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.42 1xqq s ARG 74 CO 0.00 -0.71 0.00 0.41 0.02 0.00 0.00 175.30 175.02 1xqq n GLY 75 N -1.51 2.76 0.00 -3.53 0.00 -1.26 -4.76 105.19 96.89 1xqq n GLY 75 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93