#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 4.50 0.41 3.17 -2.07 -1.26 -1.87 119.66 122.54 1xqq s GLN 2 Ca 0.00 1.36 0.04 0.00 -1.82 0.00 0.00 55.36 54.94 1xqq s GLN 2 Cb 0.00 -3.49 -0.05 0.00 -1.09 0.00 0.00 33.01 28.38 1xqq s GLN 2 CO 0.00 -0.13 0.04 0.96 -1.32 0.00 0.00 175.29 174.84 1xqq s ILE 3 N 1.32 1.33 -0.03 3.63 -4.36 -1.07 -0.47 121.20 121.56 1xqq s ILE 3 Ca 0.49 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.92 1xqq s ILE 3 Cb -0.20 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 40.88 1xqq s ILE 3 CO 0.24 0.00 -0.14 -0.36 0.24 0.00 0.00 174.94 174.91 1xqq s PHE 4 N -3.00 1.43 -0.24 1.37 0.08 -0.45 -2.37 117.98 114.80 1xqq s PHE 4 Ca 0.27 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 1xqq s PHE 4 Cb 0.06 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1xqq s PHE 4 CO 0.13 -0.12 -0.05 0.08 -0.10 0.00 0.00 175.22 175.16 1xqq s VAL 5 N 0.01 3.11 -0.08 -0.44 1.01 0.46 -0.87 120.40 123.61 1xqq s VAL 5 Ca -0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1xqq s VAL 5 Cb -0.10 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1xqq s VAL 5 CO 0.01 0.29 0.30 -0.75 0.00 0.00 0.00 175.10 174.95 1xqq s LYS 6 N 1.40 3.90 0.00 2.72 2.20 0.14 0.17 119.74 130.27 1xqq s LYS 6 Ca 0.03 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1xqq s LYS 6 Cb -0.16 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1xqq s LYS 6 CO -0.04 0.57 0.00 0.25 -0.36 0.00 0.00 175.35 175.77 1xqq n THR 7 N 2.43 0.00 0.05 3.43 -2.24 -0.70 -1.08 114.28 116.17 1xqq n THR 7 Ca -0.15 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.43 1xqq n THR 7 Cb 0.53 -1.56 -0.15 0.00 -2.10 0.00 0.00 70.33 67.06 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 0.49 0.63 3.22 5.85 -1.91 -3.33 115.31 120.25 1xqq h LEU 8 Ca 0.00 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 57.75 1xqq h LEU 8 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1xqq h LEU 8 CO 0.00 1.44 -0.39 0.71 -0.34 0.00 0.00 178.44 179.86 1xqq h THR 9 N -0.33 0.00 0.00 1.05 1.35 -1.96 -3.48 112.91 109.55 1xqq h THR 9 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1xqq h THR 9 Cb 1.69 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1xqq h THR 9 CO 0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1xqq n GLY 10 N -1.49 0.16 3.80 5.82 0.00 -1.25 -5.15 105.19 107.07 1xqq n GLY 10 Ca -0.12 0.00 -0.37 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 4.41 -0.33 1.61 2.47 -1.26 -4.85 119.74 121.78 1xqq s LYS 11 Ca 0.00 1.04 -0.08 0.00 -1.56 0.00 0.00 55.97 55.37 1xqq s LYS 11 Cb 0.00 -3.00 0.02 0.00 -1.46 0.00 0.00 37.83 33.39 1xqq s LYS 11 CO 0.00 0.44 0.13 0.99 0.16 0.00 0.00 175.35 177.07 1xqq s THR 12 N -1.41 4.19 -0.39 3.43 2.01 -1.26 -1.72 115.64 120.49 1xqq s THR 12 Ca 0.41 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 1xqq s THR 12 Cb -0.19 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1xqq s THR 12 CO 0.23 -0.09 0.23 -0.63 -0.69 0.00 0.00 174.62 173.68 1xqq s ILE 13 N 1.50 4.60 -0.20 1.82 1.01 0.13 -4.91 121.20 125.15 1xqq s ILE 13 Ca 0.02 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.49 1xqq s ILE 13 Cb -0.18 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1xqq s ILE 13 CO 0.04 -0.31 0.69 -0.89 0.00 0.00 0.00 174.94 174.47 1xqq s THR 14 N 1.54 4.97 0.25 2.92 2.01 -1.26 -0.40 115.64 125.68 1xqq s THR 14 Ca 0.02 1.31 0.12 0.00 0.31 0.00 0.00 61.69 63.45 1xqq s THR 14 Cb -0.20 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1xqq s THR 14 CO 0.06 0.08 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.10 1xqq s LEU 15 N 2.06 2.54 -0.53 4.42 1.43 -1.00 -5.02 118.68 122.58 1xqq s LEU 15 Ca 0.31 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1xqq s LEU 15 Cb -0.16 -1.11 0.13 0.00 0.03 0.00 0.00 46.19 45.08 1xqq s LEU 15 CO 0.11 0.06 0.27 -0.70 0.23 0.00 0.00 176.35 176.32 1xqq s GLU 16 N -3.26 1.96 0.33 1.70 2.56 -1.26 -2.58 118.70 118.15 1xqq s GLU 16 Ca 0.27 -2.63 0.08 0.00 0.00 0.00 0.00 54.97 52.69 1xqq s GLU 16 Cb -0.06 -3.25 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 1xqq s GLU 16 CO 0.13 -1.13 0.18 0.14 -0.56 0.00 0.00 175.26 174.03 1xqq s VAL 17 N -0.33 3.31 0.27 3.70 -7.23 -0.78 -4.83 120.40 114.52 1xqq s VAL 17 Ca 0.18 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1xqq s VAL 17 Cb -0.24 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1xqq s VAL 17 CO -0.01 -0.20 0.41 -1.61 -0.31 0.00 0.00 175.10 173.38 1xqq s GLU 18 N -3.88 3.46 0.40 4.82 0.41 -1.26 -0.40 118.70 122.24 1xqq s GLU 18 Ca 0.38 -0.62 0.28 0.00 -0.41 0.00 0.00 54.97 54.60 1xqq s GLU 18 Cb -0.04 -2.82 0.98 0.00 -1.78 0.00 0.00 34.13 30.46 1xqq s GLU 18 CO 0.24 0.35 1.81 -1.00 -0.49 0.00 0.00 175.26 176.16 1xqq h PRO 19 N 1.10 0.00 -0.00 0.39 0.13 -1.96 -2.47 132.00 129.19 1xqq h PRO 19 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xqq h PRO 19 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xqq h PRO 19 CO 0.62 0.00 0.01 0.77 -0.23 0.00 0.00 178.00 179.17 1xqq h SER 20 N 0.00 0.00 -3.89 1.44 0.02 -1.96 0.12 113.55 109.28 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.60 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.18 1xqq h SER 20 CO 0.00 0.00 0.51 -1.81 -1.14 0.00 0.00 176.83 174.39 1xqq s ASP 21 N -5.18 6.82 0.73 3.07 1.01 -0.93 -4.86 116.67 117.33 1xqq s ASP 21 Ca -0.05 2.35 -0.12 0.00 0.71 0.00 0.00 52.55 55.44 1xqq s ASP 21 Cb 0.13 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1xqq s ASP 21 CO 0.41 -0.47 1.11 0.42 0.21 0.00 0.00 175.17 176.86 1xqq s THR 22 N -1.31 3.18 0.36 -1.27 -4.23 -1.26 -1.67 115.64 109.43 1xqq s THR 22 Ca 0.52 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.67 1xqq s THR 22 Cb -0.32 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.43 1xqq s THR 22 CO 0.41 -0.50 2.02 0.40 -0.54 0.00 0.00 174.62 176.41 1xqq h ILE 23 N -0.74 0.57 -0.64 2.99 1.08 -1.19 -1.80 117.51 117.79 1xqq h ILE 23 Ca -0.45 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.27 1xqq h ILE 23 Cb 1.27 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1xqq h ILE 23 CO 0.64 0.14 0.05 -0.08 -0.69 0.00 0.00 178.15 178.21 1xqq h GLU 24 N 0.00 1.09 0.00 2.37 4.81 -1.83 -1.66 114.58 119.37 1xqq h GLU 24 Ca -0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1xqq h GLU 24 Cb 0.42 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xqq h GLU 24 CO 0.02 1.03 -0.26 -0.91 -0.73 0.00 0.00 179.01 178.16 1xqq h ASN 25 N 1.01 0.00 -0.16 1.04 2.35 -1.66 -1.71 115.58 116.44 1xqq h ASN 25 Ca 0.19 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 1xqq h ASN 25 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1xqq h ASN 25 CO 0.02 0.26 -0.56 0.58 -1.65 0.00 0.00 177.43 176.08 1xqq h VAL 26 N 0.00 1.32 -0.96 2.81 2.07 -1.35 -1.93 116.25 118.22 1xqq h VAL 26 Ca -0.00 -1.81 0.20 0.00 0.82 0.00 0.00 66.70 65.91 1xqq h VAL 26 Cb 0.82 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 1xqq h VAL 26 CO 0.03 0.56 0.61 0.11 0.02 0.00 0.00 177.57 178.91 1xqq h LYS 27 N 0.34 0.53 -0.03 1.57 1.57 -1.14 -1.73 116.57 117.67 1xqq h LYS 27 Ca -0.03 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 27 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1xqq h LYS 27 CO 0.12 0.35 -0.87 0.00 -0.57 0.00 0.00 179.45 178.48 1xqq h ALA 28 N 1.62 0.43 -0.26 3.86 0.00 -0.99 -1.01 119.26 122.91 1xqq h ALA 28 Ca 0.52 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xqq h ALA 28 Cb 1.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xqq h ALA 28 CO -0.26 0.79 0.12 -0.22 0.00 0.00 0.00 179.25 179.69 1xqq h LYS 29 N 0.26 0.25 -0.16 0.00 1.63 -0.88 0.57 116.57 118.25 1xqq h LYS 29 Ca -0.06 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.59 1xqq h LYS 29 Cb 1.49 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.05 1xqq h LYS 29 CO 0.15 0.17 -0.46 0.82 -3.45 0.00 0.00 179.45 176.68 1xqq h ILE 30 N 0.26 1.32 -0.32 2.00 2.04 -1.29 -1.25 117.51 120.27 1xqq h ILE 30 Ca 0.11 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.32 1xqq h ILE 30 Cb 0.04 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1xqq h ILE 30 CO -0.08 0.50 0.20 -0.61 0.00 0.00 0.00 178.15 178.16 1xqq h GLN 31 N 0.32 0.43 0.53 2.37 4.15 -0.50 -1.16 115.11 121.24 1xqq h GLN 31 Ca 0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1xqq h GLN 31 Cb 0.93 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1xqq h GLN 31 CO 0.08 0.31 -0.45 0.22 -1.93 0.00 0.00 178.83 177.06 1xqq h ASP 32 N 0.42 -1.20 0.12 -0.69 1.82 -0.30 -1.62 116.42 114.97 1xqq h ASP 32 Ca 0.12 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 1xqq h ASP 32 Cb -0.01 0.38 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1xqq h ASP 32 CO -0.02 -0.63 -0.06 0.50 -1.61 0.00 0.00 179.24 177.42 1xqq h LYS 33 N -0.97 -0.16 0.02 0.28 3.64 -1.25 -3.38 116.57 114.76 1xqq h LYS 33 Ca -0.06 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.03 1xqq h LYS 33 Cb 0.83 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1xqq h LYS 33 CO -0.02 0.25 -1.71 0.93 -2.27 0.00 0.00 179.45 176.64 1xqq h GLU 34 N -0.94 0.05 0.00 1.90 4.39 -1.37 -3.49 114.58 115.12 1xqq h GLU 34 Ca -0.02 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1xqq h GLU 34 Cb 0.48 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1xqq h GLU 34 CO 0.03 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 178.94 1xqq n GLY 35 N 1.62 1.29 3.55 -3.84 0.00 -0.61 -5.04 105.19 102.15 1xqq n GLY 35 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 3.84 0.85 -0.61 1.01 -1.24 -4.97 121.20 118.07 1xqq s ILE 36 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1xqq s ILE 36 Cb 0.00 -2.63 0.11 0.00 0.01 0.00 0.00 42.46 39.95 1xqq s ILE 36 CO 0.00 0.55 1.17 -2.16 0.00 0.00 0.00 174.94 174.50 1xqq s PRO 37 N -0.26 1.45 0.15 2.79 0.04 -1.26 -3.92 135.00 133.99 1xqq s PRO 37 Ca 0.04 1.61 0.26 0.00 0.04 0.00 0.00 61.00 62.95 1xqq s PRO 37 Cb -0.13 -1.77 0.93 0.00 0.04 0.00 0.00 34.50 33.57 1xqq s PRO 37 CO 0.02 -2.33 1.80 -2.30 0.04 0.00 0.00 177.00 174.23 1xqq n PRO 38 N -3.70 0.18 0.23 0.56 -0.02 -1.26 -3.41 135.00 127.58 1xqq n PRO 38 Ca 0.12 0.18 0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1xqq n PRO 38 Cb 0.51 -1.72 0.69 0.00 -0.02 0.00 0.00 33.50 32.96 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xqq h ASP 39 N 0.00 0.00 1.22 2.55 3.32 -1.97 -1.30 116.42 120.24 1xqq h ASP 39 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1xqq h ASP 39 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1xqq h ASP 39 CO 0.00 0.00 -0.81 1.56 -1.72 0.00 0.00 179.24 178.27 1xqq h GLN 40 N 0.00 0.00 -5.64 3.56 4.20 -1.78 -3.43 115.11 112.02 1xqq h GLN 40 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 1xqq h GLN 40 Cb 0.35 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.99 1xqq h GLN 40 CO 0.00 0.16 0.35 -0.65 -0.67 0.00 0.00 178.83 178.02 1xqq s GLN 41 N -3.15 3.32 -0.49 1.46 -0.21 -0.49 -2.81 119.66 117.29 1xqq s GLN 41 Ca 0.01 -0.31 -0.12 0.00 0.02 0.00 0.00 55.36 54.97 1xqq s GLN 41 Cb 0.08 -4.00 0.12 0.00 1.00 0.00 0.00 33.01 30.21 1xqq s GLN 41 CO 0.76 -1.23 0.40 1.03 -2.12 0.00 0.00 175.29 174.12 1xqq s ARG 42 N 3.34 2.65 -0.01 2.91 0.52 -0.46 -5.00 118.95 122.89 1xqq s ARG 42 Ca 0.27 -1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 53.46 1xqq s ARG 42 Cb -0.14 -4.05 -0.03 0.00 0.52 0.00 0.00 34.95 31.25 1xqq s ARG 42 CO 0.20 -1.23 0.90 -0.51 0.02 0.00 0.00 175.30 174.67 1xqq s LEU 43 N 1.44 4.36 -0.03 2.53 1.43 -1.26 -0.54 118.68 126.61 1xqq s LEU 43 Ca 0.05 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1xqq s LEU 43 Cb -0.27 -3.44 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 1xqq s LEU 43 CO 0.01 -0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.61 1xqq s ILE 44 N 0.88 1.14 -0.03 -0.59 -1.09 0.15 -1.27 121.20 120.39 1xqq s ILE 44 Ca 0.48 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1xqq s ILE 44 Cb -0.20 -0.99 0.01 0.00 -1.58 0.00 0.00 42.46 39.70 1xqq s ILE 44 CO 0.25 0.34 -0.05 0.12 -1.23 0.00 0.00 174.94 174.37 1xqq s PHE 45 N 0.05 0.62 0.00 3.97 5.36 0.23 -0.83 117.98 127.39 1xqq s PHE 45 Ca -0.02 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 1xqq s PHE 45 Cb -0.10 -0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.06 1xqq s PHE 45 CO 0.01 -0.11 0.00 0.00 -1.46 0.00 0.00 175.22 173.66 1xqq n ALA 46 N 3.64 0.00 0.44 11.12 0.00 -1.26 -0.51 120.51 133.94 1xqq n ALA 46 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.53 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.09 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 0.83 3.54 0.00 0.00 -1.26 -5.01 105.19 103.28 1xqq n GLY 47 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N -1.27 3.80 0.00 1.61 2.20 0.33 -5.08 119.74 121.33 1xqq s LYS 48 Ca 0.23 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 1xqq s LYS 48 Cb 0.15 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1xqq s LYS 48 CO 0.21 0.10 0.96 -1.14 -0.36 0.00 0.00 175.35 175.12 1xqq s GLN 49 N 0.82 4.56 0.61 4.03 0.74 -1.26 -0.60 119.66 128.56 1xqq s GLN 49 Ca 0.03 1.38 -0.06 0.00 0.05 0.00 0.00 55.36 56.76 1xqq s GLN 49 Cb -0.14 -3.45 0.02 0.00 1.10 0.00 0.00 33.01 30.54 1xqq s GLN 49 CO 0.02 -0.02 0.92 -0.51 -0.55 0.00 0.00 175.29 175.15 1xqq s LEU 50 N 0.90 3.16 -0.05 3.68 1.43 -0.40 -4.98 118.68 122.42 1xqq s LEU 50 Ca 0.50 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1xqq s LEU 50 Cb -0.21 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1xqq s LEU 50 CO 0.27 -1.17 -0.07 -0.70 0.23 0.00 0.00 176.35 174.92 1xqq s GLU 51 N -5.03 1.12 0.21 1.70 2.56 -1.26 -4.87 118.70 113.13 1xqq s GLU 51 Ca 0.55 -0.20 -0.09 0.00 0.00 0.00 0.00 54.97 55.23 1xqq s GLU 51 Cb -0.11 -1.05 0.25 0.00 2.00 0.00 0.00 34.13 35.22 1xqq s GLU 51 CO 0.45 -0.07 1.79 -0.44 -0.56 0.00 0.00 175.26 176.43 1xqq h ASP 52 N 7.21 0.47 0.07 -1.70 5.19 -1.98 -2.70 116.42 122.97 1xqq h ASP 52 Ca -0.35 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1xqq h ASP 52 Cb 1.16 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1xqq h ASP 52 CO 0.46 0.29 0.00 0.61 -3.12 0.00 0.00 179.24 177.49 1xqq n GLY 53 N -1.28 -0.51 3.90 2.75 0.00 -1.26 -2.55 105.19 106.24 1xqq n GLY 53 Ca 0.08 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.87 3.59 0.68 1.61 1.81 -1.02 -4.96 118.95 117.79 1xqq s ARG 54 Ca 0.01 -0.14 -0.11 0.00 -1.72 0.00 0.00 55.73 53.77 1xqq s ARG 54 Cb 0.01 -2.85 -0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1xqq s ARG 54 CO 0.04 0.45 1.06 0.95 -0.68 0.00 0.00 175.30 177.12 1xqq s THR 55 N -1.70 4.09 0.14 0.02 -4.23 -1.26 -2.42 115.64 110.27 1xqq s THR 55 Ca 0.40 0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 61.46 1xqq s THR 55 Cb -0.12 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1xqq s THR 55 CO 0.26 -0.89 1.63 -0.07 -0.54 0.00 0.00 174.62 175.01 1xqq h LEU 56 N -0.56 0.77 -1.00 4.79 3.38 -0.81 -1.83 115.31 120.04 1xqq h LEU 56 Ca -0.44 -0.27 0.37 0.00 0.09 0.00 0.00 57.88 57.63 1xqq h LEU 56 Cb 1.22 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 1xqq h LEU 56 CO 0.61 0.84 0.53 0.28 0.09 0.00 0.00 178.44 180.79 1xqq h SER 57 N 0.67 0.38 0.29 -0.43 0.02 -0.98 0.10 113.55 113.60 1xqq h SER 57 Ca 0.14 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1xqq h SER 57 Cb 0.40 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1xqq h SER 57 CO 0.01 -0.30 -0.05 0.44 -1.14 0.00 0.00 176.83 175.79 1xqq h ASP 58 N 0.14 0.00 -0.26 3.07 3.32 -1.60 -2.08 116.42 119.01 1xqq h ASP 58 Ca 0.79 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.84 1xqq h ASP 58 Cb 1.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.50 1xqq h ASP 58 CO -0.70 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 175.64 1xqq n TYR 59 N -3.44 0.33 -2.56 4.55 4.01 0.32 -4.95 117.16 115.42 1xqq n TYR 59 Ca -0.02 -0.18 -0.18 0.00 -0.16 0.00 0.00 57.90 57.36 1xqq n TYR 59 Cb 0.17 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.32 -5.24 -4.64 7.72 4.13 -0.78 -5.03 115.26 112.74 1xqq n ASN 60 Ca 0.16 -0.11 -0.38 0.00 1.68 0.00 0.00 54.58 55.93 1xqq n ASN 60 Cb 0.56 -4.22 -0.08 0.00 -1.54 0.00 0.00 39.78 34.50 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 -2.96 5.21 0.06 2.41 1.01 -1.08 -5.01 121.20 120.83 1xqq s ILE 61 Ca 0.10 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1xqq s ILE 61 Cb -0.05 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 1xqq s ILE 61 CO 0.13 0.22 0.01 0.00 0.00 0.00 0.00 174.94 175.30 1xqq n GLN 62 N 4.81 1.42 -2.55 2.79 10.64 -1.26 -4.38 117.38 128.84 1xqq n GLN 62 Ca -0.09 -0.44 -0.34 0.00 -1.83 0.00 0.00 57.00 54.30 1xqq n GLN 62 Cb 0.51 0.17 -0.04 0.00 -0.86 0.00 0.00 30.24 30.02 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 -2.21 3.86 -1.00 2.61 -2.85 -1.26 -3.20 119.74 115.69 1xqq s LYS 63 Ca 0.01 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.25 1xqq s LYS 63 Cb 0.00 -2.11 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1xqq s LYS 63 CO 0.01 -0.37 0.00 0.39 0.10 0.00 0.00 175.35 175.48 1xqq n GLU 64 N -1.02 -1.44 -2.56 1.78 1.02 0.38 -5.02 120.64 113.78 1xqq n GLU 64 Ca 0.09 0.80 -0.36 0.00 -0.02 0.00 0.00 57.16 57.67 1xqq n GLU 64 Cb 0.53 -5.05 -0.04 0.00 -0.02 0.00 0.00 31.44 26.86 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 -2.44 6.64 -0.21 1.62 0.01 -1.19 -4.79 113.70 113.35 1xqq s SER 65 Ca 0.00 1.99 -0.05 0.00 1.31 0.00 0.00 55.95 59.20 1xqq s SER 65 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1xqq s SER 65 CO 0.00 -0.57 0.01 -0.89 0.41 0.00 0.00 173.24 172.20 1xqq s THR 66 N -1.77 4.01 0.36 1.44 2.01 -1.26 -1.35 115.64 119.08 1xqq s THR 66 Ca 0.61 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1xqq s THR 66 Cb -0.20 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1xqq s THR 66 CO 0.25 0.41 0.21 -0.76 -0.69 0.00 0.00 174.62 174.03 1xqq s LEU 67 N 1.16 3.32 0.04 4.42 1.02 -0.05 -4.79 118.68 123.80 1xqq s LEU 67 Ca 0.03 -0.76 0.07 0.00 0.02 0.00 0.00 54.13 53.48 1xqq s LEU 67 Cb -0.14 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1xqq s LEU 67 CO 0.02 -0.40 -0.19 -2.28 0.02 0.00 0.00 176.35 173.52 1xqq s HIS 68 N -2.44 1.63 -0.32 0.29 2.46 -0.01 -0.68 115.29 116.22 1xqq s HIS 68 Ca 0.40 -0.36 0.03 0.00 0.47 0.00 0.00 55.06 55.60 1xqq s HIS 68 Cb -0.02 -0.97 0.09 0.00 -0.13 0.00 0.00 32.58 31.54 1xqq s HIS 68 CO 0.24 0.07 0.02 -1.17 -2.47 0.00 0.00 174.74 171.43 1xqq s LEU 69 N -1.14 4.14 -0.10 8.88 2.96 -0.25 0.30 118.68 133.48 1xqq s LEU 69 Ca 0.06 -1.91 -0.22 0.00 -0.22 0.00 0.00 54.13 51.84 1xqq s LEU 69 Cb -0.08 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1xqq s LEU 69 CO 0.02 -0.34 0.65 -0.69 -1.32 0.00 0.00 176.35 174.67 1xqq s VAL 70 N 1.04 5.07 0.28 1.68 1.01 0.30 -3.70 120.40 126.07 1xqq s VAL 70 Ca 0.06 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.43 1xqq s VAL 70 Cb -0.19 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1xqq s VAL 70 CO -0.09 0.24 0.26 -0.76 0.00 0.00 0.00 175.10 174.74 1xqq s LEU 71 N 0.97 3.81 0.23 3.92 1.43 -1.26 -1.36 118.68 126.42 1xqq s LEU 71 Ca 0.34 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 71 Cb -0.17 -2.38 0.07 0.00 0.03 0.00 0.00 46.19 43.74 1xqq s LEU 71 CO 0.15 -0.16 0.98 0.00 0.23 0.00 0.00 176.35 177.56 1xqq s ARG 72 N -3.92 1.53 0.09 1.70 1.70 -1.12 -4.95 118.95 113.98 1xqq s ARG 72 Ca 0.36 -0.99 0.05 0.00 -0.47 0.00 0.00 55.73 54.68 1xqq s ARG 72 Cb -0.07 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1xqq s ARG 72 CO 0.26 -0.72 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.25 1xqq s LEU 73 N -3.34 3.44 0.08 -1.89 1.43 -1.26 -4.49 118.68 112.65 1xqq s LEU 73 Ca 0.21 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 52.79 1xqq s LEU 73 Cb -0.03 -2.17 -0.12 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 73 CO 0.07 0.18 1.73 -1.14 0.23 0.00 0.00 176.35 177.42 1xqq n ARG 74 N 0.59 2.32 0.07 1.70 0.63 -1.26 -4.77 116.66 115.94 1xqq n ARG 74 Ca -0.11 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1xqq n ARG 74 Cb 0.52 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.76 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 3.91 -1.02 0.00 5.14 0.00 -1.26 -5.15 105.19 106.81 1xqq n GLY 75 Ca 0.19 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93