#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 2.28 0.34 3.17 -0.21 -1.26 -1.56 119.66 122.42 1xqq s GLN 2 Ca 0.00 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1xqq s GLN 2 Cb 0.00 -2.36 -0.06 0.00 1.00 0.00 0.00 33.01 31.59 1xqq s GLN 2 CO 0.00 0.55 0.06 0.96 -2.12 0.00 0.00 175.29 174.74 1xqq s ILE 3 N -1.10 1.16 -0.07 1.08 -4.36 -0.96 -1.37 121.20 115.58 1xqq s ILE 3 Ca 0.19 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 1xqq s ILE 3 Cb -0.11 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.87 1xqq s ILE 3 CO 0.10 0.00 -0.07 -0.36 0.24 0.00 0.00 174.94 174.86 1xqq s PHE 4 N -3.27 1.12 -0.29 1.37 0.08 0.18 -2.19 117.98 114.97 1xqq s PHE 4 Ca 0.35 -0.43 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 1xqq s PHE 4 Cb 0.08 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 1xqq s PHE 4 CO 0.15 -0.31 0.30 0.08 -0.10 0.00 0.00 175.22 175.34 1xqq s VAL 5 N 1.18 5.23 -0.12 -0.44 1.01 -0.43 -0.67 120.40 126.14 1xqq s VAL 5 Ca -0.06 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1xqq s VAL 5 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1xqq s VAL 5 CO -0.02 0.13 0.07 -0.75 0.00 0.00 0.00 175.10 174.53 1xqq s LYS 6 N 1.93 3.42 0.64 2.72 2.20 -0.12 -0.66 119.74 129.87 1xqq s LYS 6 Ca 0.11 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1xqq s LYS 6 Cb -0.16 -3.05 0.11 0.00 -1.51 0.00 0.00 37.83 33.22 1xqq s LYS 6 CO 0.11 0.61 0.88 0.95 -0.36 0.00 0.00 175.35 177.54 1xqq s THR 7 N -0.59 2.02 0.29 3.43 -4.23 0.13 -1.97 115.64 114.71 1xqq s THR 7 Ca 0.11 -0.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1xqq s THR 7 Cb -0.12 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1xqq s THR 7 CO 0.02 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.06 1xqq h LEU 8 N -0.09 0.39 -0.27 4.79 5.85 -1.89 -2.50 115.31 121.60 1xqq h LEU 8 Ca -0.30 -0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.08 1xqq h LEU 8 Cb 1.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1xqq h LEU 8 CO 0.39 0.70 -0.89 0.71 -0.34 0.00 0.00 178.44 179.01 1xqq h THR 9 N 0.33 1.53 0.00 1.05 1.35 -1.95 -3.48 112.91 111.74 1xqq h THR 9 Ca 0.04 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1xqq h THR 9 Cb 0.73 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1xqq h THR 9 CO 0.06 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1xqq n GLY 10 N 0.91 2.00 3.77 5.82 0.00 -0.94 -5.13 105.19 111.63 1xqq n GLY 10 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.72 4.50 -0.16 1.61 2.20 -1.26 -4.80 119.74 121.10 1xqq s LYS 11 Ca 0.00 1.08 -0.04 0.00 -0.36 0.00 0.00 55.97 56.65 1xqq s LYS 11 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1xqq s LYS 11 CO 0.00 0.53 -0.03 0.99 -0.36 0.00 0.00 175.35 176.47 1xqq s THR 12 N -0.93 3.87 -0.21 3.43 2.01 -1.26 0.18 115.64 122.73 1xqq s THR 12 Ca 0.35 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1xqq s THR 12 Cb -0.22 -2.70 0.04 0.00 0.01 0.00 0.00 72.50 69.63 1xqq s THR 12 CO 0.25 0.48 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.89 1xqq s ILE 13 N 0.46 2.01 -0.12 1.82 1.09 0.17 -4.97 121.20 121.66 1xqq s ILE 13 Ca -0.03 -1.22 -0.29 0.00 -1.10 0.00 0.00 60.65 58.00 1xqq s ILE 13 Cb -0.14 -1.99 -0.01 0.00 -1.06 0.00 0.00 42.46 39.26 1xqq s ILE 13 CO 0.03 0.24 1.02 -0.89 -0.10 0.00 0.00 174.94 175.24 1xqq s THR 14 N 1.24 4.75 -0.04 2.92 2.01 -1.26 -1.31 115.64 123.94 1xqq s THR 14 Ca -0.02 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.05 1xqq s THR 14 Cb -0.16 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.04 1xqq s THR 14 CO -0.09 -0.02 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.92 1xqq s LEU 15 N 2.17 1.82 -0.37 4.42 1.43 -0.93 -5.00 118.68 122.20 1xqq s LEU 15 Ca 0.48 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1xqq s LEU 15 Cb -0.18 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1xqq s LEU 15 CO 0.17 0.10 0.24 -1.61 0.23 0.00 0.00 176.35 175.48 1xqq s GLU 16 N 0.24 3.07 0.23 1.70 2.02 -1.26 -2.26 118.70 122.44 1xqq s GLU 16 Ca -0.06 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.00 1xqq s GLU 16 Cb -0.12 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1xqq s GLU 16 CO 0.02 -0.63 0.13 0.14 0.02 0.00 0.00 175.26 174.94 1xqq s VAL 17 N 1.64 0.17 0.30 2.63 -7.23 -0.60 -4.95 120.40 112.36 1xqq s VAL 17 Ca 0.04 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.31 1xqq s VAL 17 Cb -0.18 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 1xqq s VAL 17 CO 0.09 0.00 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.13 1xqq s GLU 18 N -4.08 1.70 0.65 4.82 0.41 -1.26 0.07 118.70 121.02 1xqq s GLU 18 Ca 0.39 -1.83 0.27 0.00 -0.41 0.00 0.00 54.97 53.39 1xqq s GLU 18 Cb 0.07 -1.64 1.45 0.00 -1.78 0.00 0.00 34.13 32.22 1xqq s GLU 18 CO 0.13 0.21 1.83 -1.35 -0.49 0.00 0.00 175.26 175.60 1xqq h PRO 19 N 2.18 0.00 -0.21 0.39 0.11 -1.97 -3.05 132.00 129.45 1xqq h PRO 19 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.65 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.89 1xqq n SER 20 N -3.07 2.72 -4.82 -2.05 2.88 -1.26 -0.99 113.62 107.03 1xqq n SER 20 Ca 0.01 -1.80 -0.31 0.00 -1.33 0.00 0.00 58.87 55.45 1xqq n SER 20 Cb 0.52 -0.13 0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xqq s ASP 21 N -1.19 5.20 0.51 -3.46 1.01 -1.16 -4.86 116.67 112.72 1xqq s ASP 21 Ca 0.24 1.48 0.08 0.00 0.71 0.00 0.00 52.55 55.06 1xqq s ASP 21 Cb 0.15 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.79 1xqq s ASP 21 CO 0.21 -1.54 0.57 0.42 0.21 0.00 0.00 175.17 175.04 1xqq s THR 22 N -3.11 2.26 0.26 -1.27 -4.23 -1.26 -1.03 115.64 107.25 1xqq s THR 22 Ca 0.59 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 1xqq s THR 22 Cb -0.14 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 1xqq s THR 22 CO 0.54 0.00 1.59 0.40 -0.54 0.00 0.00 174.62 176.62 1xqq h ILE 23 N 0.58 1.40 -0.96 2.99 5.03 -1.22 -2.05 117.51 123.28 1xqq h ILE 23 Ca -0.36 -2.00 0.29 0.00 -0.12 0.00 0.00 64.86 62.68 1xqq h ILE 23 Cb 1.29 2.04 -0.15 0.00 -3.03 0.00 0.00 36.82 36.97 1xqq h ILE 23 CO 0.49 0.58 0.44 -0.08 -0.68 0.00 0.00 178.15 178.91 1xqq h GLU 24 N 0.11 0.27 0.00 2.37 4.81 -1.54 -0.28 114.58 120.31 1xqq h GLU 24 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1xqq h GLU 24 Cb 1.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1xqq h GLU 24 CO 0.09 0.18 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.33 1xqq h ASN 25 N 0.28 0.00 0.19 1.04 -0.26 -1.66 -2.11 115.58 113.06 1xqq h ASN 25 Ca 0.67 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 56.15 1xqq h ASN 25 Cb 1.47 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.76 1xqq h ASN 25 CO -0.63 0.31 -1.13 0.58 -1.06 0.00 0.00 177.43 175.50 1xqq h VAL 26 N 0.00 1.40 -0.71 2.81 2.07 -1.04 -3.25 116.25 117.52 1xqq h VAL 26 Ca -0.00 -2.61 0.10 0.00 0.82 0.00 0.00 66.70 65.01 1xqq h VAL 26 Cb 0.68 3.13 -0.08 0.00 -1.52 0.00 0.00 31.29 33.50 1xqq h VAL 26 CO 0.04 0.76 0.33 0.11 0.02 0.00 0.00 177.57 178.83 1xqq h LYS 27 N -0.14 0.53 -1.00 1.57 1.57 -1.02 -2.31 116.57 115.77 1xqq h LYS 27 Ca -0.20 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 27 Cb 1.88 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.97 1xqq h LYS 27 CO 0.21 0.35 0.62 0.00 -0.57 0.00 0.00 179.45 180.06 1xqq h ALA 28 N 1.45 1.90 0.00 3.86 0.00 -1.49 -1.80 119.26 123.19 1xqq h ALA 28 Ca 0.36 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 1xqq h ALA 28 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xqq h ALA 28 CO -0.30 -0.29 -0.70 0.87 0.00 0.00 0.00 179.25 178.83 1xqq h LYS 29 N 0.60 0.00 -0.09 0.00 1.57 -1.45 0.28 116.57 117.48 1xqq h LYS 29 Ca 0.58 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.21 1xqq h LYS 29 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1xqq h LYS 29 CO -0.35 0.70 -0.61 0.82 -0.57 0.00 0.00 179.45 179.44 1xqq h ILE 30 N 0.00 1.37 0.25 1.86 2.04 -1.31 0.31 117.51 122.03 1xqq h ILE 30 Ca -0.01 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 1xqq h ILE 30 Cb 1.32 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1xqq h ILE 30 CO 0.09 0.58 -0.12 -0.61 0.00 0.00 0.00 178.15 178.10 1xqq h GLN 31 N 0.23 -0.32 -0.08 2.37 4.15 -0.85 0.29 115.11 120.90 1xqq h GLN 31 Ca -0.01 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1xqq h GLN 31 Cb 1.12 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 1xqq h GLN 31 CO 0.10 -0.06 -0.21 0.22 -1.93 0.00 0.00 178.83 176.94 1xqq h ASP 32 N -0.54 -0.64 0.00 -0.69 3.58 -0.90 -3.10 116.42 114.12 1xqq h ASP 32 Ca -0.03 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1xqq h ASP 32 Cb 0.40 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1xqq h ASP 32 CO 0.06 -0.27 0.00 0.29 -2.88 0.00 0.00 179.24 176.44 1xqq n LYS 33 N -5.34 0.00 0.15 0.28 5.02 0.11 -4.61 118.16 113.76 1xqq n LYS 33 Ca -0.04 0.43 0.03 0.00 -2.02 0.00 0.00 58.31 56.71 1xqq n LYS 33 Cb 0.26 -0.96 0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 0.00 -0.97 1.97 4.39 -0.66 -3.48 114.58 115.84 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 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xqq h GLU 34 CO 0.00 0.48 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 1xqq n GLY 35 N 1.12 0.62 3.36 -3.84 0.00 -0.91 -5.03 105.19 100.51 1xqq n GLY 35 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.27 2.80 0.52 -0.61 1.01 -1.24 -4.99 121.20 116.41 1xqq s ILE 36 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 1xqq s ILE 36 Cb 0.00 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 1xqq s ILE 36 CO 0.00 0.55 1.20 -2.84 0.00 0.00 0.00 174.94 173.85 1xqq s PRO 37 N 0.03 3.43 0.55 2.79 0.02 -1.26 -3.90 135.00 136.66 1xqq s PRO 37 Ca -0.06 1.83 0.36 0.00 0.02 0.00 0.00 61.00 63.16 1xqq s PRO 37 Cb -0.15 -2.21 1.77 0.00 0.02 0.00 0.00 34.50 33.93 1xqq s PRO 37 CO 0.05 -0.84 2.09 -1.00 -0.33 0.00 0.00 177.00 176.97 1xqq h PRO 38 N 1.57 0.00 0.00 5.54 0.13 -1.90 -3.13 132.00 134.20 1xqq h PRO 38 Ca -0.50 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.30 1xqq h PRO 38 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1xqq h PRO 38 CO 0.58 0.00 -2.24 -3.47 -0.23 0.00 0.00 178.00 172.64 1xqq n ASP 39 N -2.92 1.18 -0.32 1.44 -0.08 -1.26 -3.96 116.55 110.63 1xqq n ASP 39 Ca -0.01 -0.04 0.18 0.00 -1.51 0.00 0.00 54.79 53.40 1xqq n ASP 39 Cb 0.17 0.50 0.38 0.00 2.34 0.00 0.00 41.12 44.50 1xqq n ASP 39 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1xqq h GLN 40 N 0.00 0.40 -5.98 -0.67 4.15 -1.94 -3.43 115.11 107.64 1xqq h GLN 40 Ca -0.49 -0.02 -0.61 0.00 0.77 0.00 0.00 58.65 58.30 1xqq h GLN 40 Cb 1.99 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.55 1xqq h GLN 40 CO -0.01 0.26 -0.41 1.14 -1.93 0.00 0.00 178.83 177.88 1xqq s GLN 41 N -5.80 3.53 -0.01 1.69 -2.07 -1.19 -0.87 119.66 114.94 1xqq s GLN 41 Ca -0.11 -0.22 0.01 0.00 -1.82 0.00 0.00 55.36 53.22 1xqq s GLN 41 Cb 0.27 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.20 1xqq s GLN 41 CO 0.79 0.58 -0.04 -0.98 -1.32 0.00 0.00 175.29 174.31 1xqq s ARG 42 N -2.30 0.45 -0.02 9.60 1.70 -0.47 -4.89 118.95 123.02 1xqq s ARG 42 Ca 0.34 -0.14 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 1xqq s ARG 42 Cb -0.13 -0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 33.75 1xqq s ARG 42 CO 0.23 0.06 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.97 1xqq s LEU 43 N 0.14 3.38 0.09 -1.89 2.01 -1.26 -1.49 118.68 119.66 1xqq s LEU 43 Ca -0.01 -0.03 0.09 0.00 0.01 0.00 0.00 54.13 54.19 1xqq s LEU 43 Cb -0.05 -1.89 -0.03 0.00 0.01 0.00 0.00 46.19 44.22 1xqq s LEU 43 CO -0.00 0.30 -0.24 -0.63 1.01 0.00 0.00 176.35 176.79 1xqq s ILE 44 N -1.00 1.95 -0.11 -0.59 1.01 -0.10 -0.40 121.20 121.95 1xqq s ILE 44 Ca 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1xqq s ILE 44 Cb -0.11 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.68 1xqq s ILE 44 CO 0.07 0.12 0.04 0.12 0.00 0.00 0.00 174.94 175.30 1xqq s PHE 45 N -0.98 0.45 0.00 3.97 5.36 0.16 -0.86 117.98 126.08 1xqq s PHE 45 Ca 0.10 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1xqq s PHE 45 Cb -0.10 -0.73 0.00 0.00 -0.34 0.00 0.00 43.02 41.86 1xqq s PHE 45 CO 0.04 -0.38 0.00 0.00 -1.46 0.00 0.00 175.22 173.42 1xqq n ALA 46 N 5.20 0.00 -1.23 11.12 0.00 -1.26 -0.94 120.51 133.40 1xqq n ALA 46 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.49 0.00 0.04 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 1.50 3.87 0.00 0.00 -1.26 -4.94 105.19 104.36 1xqq n GLY 47 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.00 3.37 -0.07 1.61 1.02 -0.12 -5.10 119.74 119.45 1xqq s LYS 48 Ca 0.09 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 55.63 1xqq s LYS 48 Cb 0.08 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1xqq s LYS 48 CO 0.01 0.71 0.47 -1.14 -0.92 0.00 0.00 175.35 174.48 1xqq s GLN 49 N -1.52 4.24 0.33 1.68 0.74 -1.26 0.39 119.66 124.25 1xqq s GLN 49 Ca 0.21 0.47 -0.02 0.00 0.05 0.00 0.00 55.36 56.07 1xqq s GLN 49 Cb -0.12 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 1xqq s GLN 49 CO 0.12 0.32 0.56 -0.51 -0.55 0.00 0.00 175.29 175.23 1xqq s LEU 50 N 0.08 4.01 0.31 3.68 1.43 0.46 -4.95 118.68 123.70 1xqq s LEU 50 Ca 0.26 0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1xqq s LEU 50 Cb -0.16 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1xqq s LEU 50 CO 0.12 -0.26 0.60 -1.61 0.23 0.00 0.00 176.35 175.42 1xqq s GLU 51 N -4.00 3.68 -0.07 1.70 2.02 -1.26 -4.78 118.70 115.99 1xqq s GLU 51 Ca 0.42 0.13 -0.25 0.00 0.02 0.00 0.00 54.97 55.29 1xqq s GLU 51 Cb -0.10 -2.59 -0.25 0.00 0.10 0.00 0.00 34.13 31.29 1xqq s GLU 51 CO 0.34 0.17 0.96 -0.44 0.02 0.00 0.00 175.26 176.31 1xqq h ASP 52 N 1.67 0.19 -0.68 -0.19 3.32 -1.99 -3.38 116.42 115.36 1xqq h ASP 52 Ca -0.47 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 55.74 1xqq h ASP 52 Cb 1.19 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1xqq h ASP 52 CO 0.66 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.79 1xqq n GLY 53 N 1.22 2.39 3.85 2.75 0.00 -1.26 -1.40 105.19 112.74 1xqq n GLY 53 Ca -0.10 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.29 3.26 0.52 1.61 0.52 -1.26 -4.92 118.95 117.39 1xqq s ARG 54 Ca 0.48 -0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.14 1xqq s ARG 54 Cb 0.27 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 1xqq s ARG 54 CO 0.30 0.65 0.93 0.95 0.02 0.00 0.00 175.30 178.14 1xqq s THR 55 N -1.32 4.68 0.38 0.02 -4.23 -1.26 -3.29 115.64 110.63 1xqq s THR 55 Ca 0.27 0.87 0.07 0.00 -1.18 0.00 0.00 61.69 61.72 1xqq s THR 55 Cb -0.12 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 55 CO 0.19 -0.83 2.00 -0.07 -0.54 0.00 0.00 174.62 175.38 1xqq h LEU 56 N 0.50 0.57 -1.14 4.79 3.38 -1.13 -1.77 115.31 120.52 1xqq h LEU 56 Ca -0.46 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 56 Cb 1.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.62 0.39 -0.42 -1.28 0.09 0.00 0.00 178.44 177.84 1xqq h SER 57 N 0.66 0.00 0.63 -0.43 0.87 -1.29 -0.10 113.55 113.89 1xqq h SER 57 Ca 0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1xqq h SER 57 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1xqq h SER 57 CO -0.07 0.42 -0.33 0.44 -0.53 0.00 0.00 176.83 176.76 1xqq h ASP 58 N 0.00 -0.79 0.00 6.23 3.32 -1.60 -3.04 116.42 120.53 1xqq h ASP 58 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xqq h ASP 58 Cb 0.77 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1xqq h ASP 58 CO 0.05 -0.54 0.00 -1.22 -1.72 0.00 0.00 179.24 175.81 1xqq n TYR 59 N -5.48 0.00 -3.03 4.55 4.01 -1.14 -4.95 117.16 111.13 1xqq n TYR 59 Ca -0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 1xqq n TYR 59 Cb 0.37 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.98 -2.28 -4.51 7.72 3.02 -1.11 -5.02 115.26 112.10 1xqq n ASN 60 Ca 0.23 -0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 53.92 1xqq n ASN 60 Cb 0.11 -3.76 -0.07 0.00 -0.61 0.00 0.00 39.78 35.44 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -3.25 4.91 0.00 2.41 1.01 -0.07 -5.01 121.20 121.21 1xqq s ILE 61 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xqq s ILE 61 Cb -0.02 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1xqq s ILE 61 CO 0.51 -0.53 0.00 0.00 0.00 0.00 0.00 174.94 174.93 1xqq n GLN 62 N 6.04 1.16 -2.39 2.79 6.02 -1.26 -4.50 117.38 125.25 1xqq n GLN 62 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.59 1xqq n GLN 62 Cb 0.48 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.71 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -1.28 3.96 -0.60 -1.09 -2.85 -1.26 -3.38 119.74 113.23 1xqq s LYS 63 Ca 0.00 1.66 -0.00 0.00 -1.00 0.00 0.00 55.97 56.63 1xqq s LYS 63 Cb 0.00 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1xqq s LYS 63 CO 0.00 -0.35 0.00 0.39 0.10 0.00 0.00 175.35 175.49 1xqq n GLU 64 N -0.26 -0.56 -3.10 1.78 1.02 -0.47 -4.95 120.64 114.10 1xqq n GLU 64 Ca 0.06 0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 57.13 1xqq n GLU 64 Cb 0.49 -4.23 -0.06 0.00 -0.02 0.00 0.00 31.44 27.61 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 -2.68 6.49 -0.43 1.62 0.01 -1.22 -4.86 113.70 112.64 1xqq s SER 65 Ca 0.00 0.39 -0.28 0.00 1.31 0.00 0.00 55.95 57.37 1xqq s SER 65 Cb -0.00 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 1xqq s SER 65 CO 0.00 -0.51 1.60 -0.89 0.41 0.00 0.00 173.24 173.85 1xqq s THR 66 N 2.65 3.68 0.37 1.44 2.01 -1.26 -0.65 115.64 123.88 1xqq s THR 66 Ca 0.25 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1xqq s THR 66 Cb -0.15 -4.02 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 1xqq s THR 66 CO 0.12 -0.72 0.53 -0.76 -0.69 0.00 0.00 174.62 173.10 1xqq s LEU 67 N 6.44 3.85 -0.03 4.42 1.02 0.15 -4.69 118.68 129.84 1xqq s LEU 67 Ca 0.67 -0.14 0.07 0.00 0.02 0.00 0.00 54.13 54.75 1xqq s LEU 67 Cb -0.16 -2.81 -0.02 0.00 0.02 0.00 0.00 46.19 43.23 1xqq s LEU 67 CO 0.30 -0.55 -0.24 -1.00 0.02 0.00 0.00 176.35 174.88 1xqq s HIS 68 N -2.28 2.22 -0.25 0.29 3.76 -0.04 -0.95 115.29 118.04 1xqq s HIS 68 Ca 0.47 -0.48 -0.09 0.00 -0.15 0.00 0.00 55.06 54.81 1xqq s HIS 68 Cb -0.10 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1xqq s HIS 68 CO 0.33 -0.08 0.12 -1.17 -0.85 0.00 0.00 174.74 173.09 1xqq s LEU 69 N -0.46 3.76 -0.10 0.89 2.96 -0.83 -0.93 118.68 123.97 1xqq s LEU 69 Ca 0.06 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1xqq s LEU 69 Cb -0.10 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1xqq s LEU 69 CO 0.00 -0.00 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.15 1xqq s VAL 70 N 1.45 2.58 -0.02 1.68 1.01 -0.56 -3.82 120.40 122.72 1xqq s VAL 70 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1xqq s VAL 70 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1xqq s VAL 70 CO 0.06 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 175.02 1xqq s LEU 71 N 0.20 3.87 0.30 3.92 1.43 -1.26 -1.37 118.68 125.77 1xqq s LEU 71 Ca -0.11 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 1xqq s LEU 71 Cb -0.16 -2.21 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1xqq s LEU 71 CO 0.06 0.29 0.96 -0.60 0.23 0.00 0.00 176.35 177.29 1xqq s ARG 72 N -1.62 4.64 -1.06 1.70 3.52 -0.05 -5.00 118.95 121.08 1xqq s ARG 72 Ca 0.21 1.40 -0.20 0.00 -0.13 0.00 0.00 55.73 57.01 1xqq s ARG 72 Cb -0.12 -2.93 0.08 0.00 -1.56 0.00 0.00 34.95 30.43 1xqq s ARG 72 CO 0.12 0.32 1.42 -1.17 -0.81 0.00 0.00 175.30 175.18 1xqq s LEU 73 N -1.83 4.06 0.00 -0.88 2.96 -1.26 -4.55 118.68 117.18 1xqq s LEU 73 Ca 0.48 -1.88 0.00 0.00 -0.22 0.00 0.00 54.13 52.51 1xqq s LEU 73 Cb -0.21 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1xqq s LEU 73 CO 0.27 -1.29 0.00 -1.14 -1.32 0.00 0.00 176.35 172.87 1xqq n ARG 74 N 7.98 0.00 0.00 1.98 0.63 -1.26 -5.18 116.66 120.82 1xqq n ARG 74 Ca 0.34 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1xqq n ARG 74 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 2.46 2.64 0.00 5.14 0.00 -1.26 -5.28 105.19 108.89 1xqq n GLY 75 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93