#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 4.24 0.12 3.17 -0.21 -1.26 -1.47 119.66 124.24 1xqq s GLN 2 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.69 1xqq s GLN 2 Cb 0.00 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1xqq s GLN 2 CO 0.00 0.26 0.17 0.96 -2.12 0.00 0.00 175.29 174.56 1xqq s ILE 3 N 0.34 4.88 0.01 1.08 -4.36 -0.53 0.22 121.20 122.84 1xqq s ILE 3 Ca 0.21 -0.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 1xqq s ILE 3 Cb -0.14 -3.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 1xqq s ILE 3 CO 0.08 0.01 0.15 -0.36 0.24 0.00 0.00 174.94 175.05 1xqq s PHE 4 N -1.60 3.43 -0.18 1.37 0.08 -0.35 -1.78 117.98 118.95 1xqq s PHE 4 Ca 0.32 0.27 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 1xqq s PHE 4 Cb -0.11 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.61 1xqq s PHE 4 CO 0.25 0.60 -0.04 0.08 -0.10 0.00 0.00 175.22 176.01 1xqq s VAL 5 N -1.32 1.11 -0.19 -0.44 1.01 0.87 -1.27 120.40 120.17 1xqq s VAL 5 Ca 0.27 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1xqq s VAL 5 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1xqq s VAL 5 CO 0.19 0.05 0.01 -0.75 0.00 0.00 0.00 175.10 174.60 1xqq s LYS 6 N 1.62 3.74 0.51 2.72 2.20 -0.64 -1.15 119.74 128.73 1xqq s LYS 6 Ca -0.01 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1xqq s LYS 6 Cb -0.16 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1xqq s LYS 6 CO -0.07 0.14 0.70 0.95 -0.36 0.00 0.00 175.35 176.71 1xqq s THR 7 N 0.69 2.77 0.32 3.43 -4.23 -0.94 -2.62 115.64 115.05 1xqq s THR 7 Ca 0.01 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 59.80 1xqq s THR 7 Cb -0.14 -2.97 0.06 0.00 1.34 0.00 0.00 72.50 70.79 1xqq s THR 7 CO 0.02 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 175.78 1xqq h LEU 8 N 0.28 0.19 0.20 4.79 3.38 -1.91 -3.16 115.31 119.07 1xqq h LEU 8 Ca -0.41 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 8 Cb 1.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1xqq h LEU 8 CO 0.49 0.56 -0.28 0.71 0.09 0.00 0.00 178.44 180.01 1xqq h THR 9 N 0.16 0.00 0.00 0.22 1.35 -1.96 -3.48 112.91 109.20 1xqq h THR 9 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1xqq h THR 9 Cb 0.75 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1xqq h THR 9 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1xqq n GLY 10 N -1.29 0.16 3.04 5.82 0.00 -1.19 -5.17 105.19 106.56 1xqq n GLY 10 Ca -0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.45 -0.75 1.61 -2.85 -1.26 -4.97 119.74 111.97 1xqq s LYS 11 Ca 0.00 -0.82 -0.05 0.00 -1.00 0.00 0.00 55.97 54.10 1xqq s LYS 11 Cb 0.00 0.16 0.19 0.00 -2.06 0.00 0.00 37.83 36.13 1xqq s LYS 11 CO 0.00 -0.09 0.61 0.99 0.10 0.00 0.00 175.35 176.97 1xqq s THR 12 N -2.41 4.38 0.03 3.79 2.01 -1.26 -2.22 115.64 119.96 1xqq s THR 12 Ca -0.07 -3.07 -0.30 0.00 0.31 0.00 0.00 61.69 58.56 1xqq s THR 12 Cb -0.03 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 1xqq s THR 12 CO -0.04 -0.97 1.61 -0.63 -0.69 0.00 0.00 174.62 173.90 1xqq s ILE 13 N -0.34 3.26 -0.40 1.82 1.01 -0.30 -4.84 121.20 121.42 1xqq s ILE 13 Ca 0.20 0.64 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1xqq s ILE 13 Cb -0.15 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1xqq s ILE 13 CO -0.07 -0.01 0.30 -0.89 0.00 0.00 0.00 174.94 174.27 1xqq s THR 14 N 2.87 5.25 -0.13 2.92 2.01 -1.26 -0.09 115.64 127.20 1xqq s THR 14 Ca 0.72 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 1xqq s THR 14 Cb -0.37 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1xqq s THR 14 CO 0.31 -0.26 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.20 1xqq s LEU 15 N 1.73 3.38 -0.48 4.42 1.43 -0.73 -4.98 118.68 123.45 1xqq s LEU 15 Ca 0.06 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 1xqq s LEU 15 Cb -0.19 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1xqq s LEU 15 CO 0.10 0.25 0.53 -1.61 0.23 0.00 0.00 176.35 175.85 1xqq s GLU 16 N -0.12 3.09 0.11 1.70 2.02 -1.26 -1.45 118.70 122.79 1xqq s GLU 16 Ca 0.03 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1xqq s GLU 16 Cb -0.13 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 1xqq s GLU 16 CO 0.02 -1.08 -0.08 0.14 0.02 0.00 0.00 175.26 174.28 1xqq s VAL 17 N 2.29 0.83 0.22 2.63 -7.23 -0.54 -4.92 120.40 113.67 1xqq s VAL 17 Ca 0.12 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 1xqq s VAL 17 Cb -0.20 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1xqq s VAL 17 CO 0.11 -0.78 0.09 -1.61 -0.31 0.00 0.00 175.10 172.60 1xqq s GLU 18 N -3.55 2.63 0.00 4.82 0.41 -1.26 0.47 118.70 122.21 1xqq s GLU 18 Ca 0.11 -1.13 0.26 0.00 -0.41 0.00 0.00 54.97 53.80 1xqq s GLU 18 Cb 0.03 -2.42 1.17 0.00 -1.78 0.00 0.00 34.13 31.13 1xqq s GLU 18 CO -0.03 0.42 1.85 -0.35 -0.49 0.00 0.00 175.26 176.67 1xqq n PRO 19 N -0.71 0.10 -0.01 0.39 -0.04 -1.26 -1.19 135.00 132.28 1xqq n PRO 19 Ca -0.08 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1xqq n PRO 19 Cb 0.57 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.22 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.44 0.45 -4.87 3.54 3.41 -1.26 -0.95 113.62 112.49 1xqq n SER 20 Ca 0.08 -1.29 -0.30 0.00 -0.26 0.00 0.00 58.87 57.10 1xqq n SER 20 Cb 0.28 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.83 6.43 0.43 4.04 1.01 -0.33 -4.94 116.67 121.49 1xqq s ASP 21 Ca 0.39 1.26 0.01 0.00 0.71 0.00 0.00 52.55 54.92 1xqq s ASP 21 Cb 0.19 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1xqq s ASP 21 CO 0.31 -0.58 0.65 0.42 0.21 0.00 0.00 175.17 176.17 1xqq s THR 22 N -2.69 4.08 0.21 -1.27 -4.23 -1.26 -3.03 115.64 107.44 1xqq s THR 22 Ca 0.53 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1xqq s THR 22 Cb -0.10 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.33 1xqq s THR 22 CO 0.39 -0.34 1.69 0.40 -0.54 0.00 0.00 174.62 176.22 1xqq h ILE 23 N 0.46 1.26 -0.86 2.99 1.08 -1.34 -0.03 117.51 121.06 1xqq h ILE 23 Ca -0.46 -1.09 0.21 0.00 -0.39 0.00 0.00 64.86 63.13 1xqq h ILE 23 Cb 1.25 0.77 -0.13 0.00 -3.07 0.00 0.00 36.82 35.65 1xqq h ILE 23 CO 0.57 0.40 0.31 -0.08 -0.69 0.00 0.00 178.15 178.65 1xqq h GLU 24 N 0.93 0.31 -0.38 2.37 4.81 -1.70 -0.50 114.58 120.42 1xqq h GLU 24 Ca 0.17 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1xqq h GLU 24 Cb 0.50 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1xqq h GLU 24 CO 0.02 0.20 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.47 1xqq h ASN 25 N 0.31 0.72 -0.14 1.04 -0.73 -1.66 -2.36 115.58 112.77 1xqq h ASN 25 Ca 0.53 -0.35 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1xqq h ASN 25 Cb 1.02 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 39.36 1xqq h ASN 25 CO -0.57 0.90 -0.22 0.58 -0.37 0.00 0.00 177.43 177.76 1xqq h VAL 26 N 0.53 0.46 0.00 2.57 2.07 -0.62 -2.84 116.25 118.41 1xqq h VAL 26 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1xqq h VAL 26 Cb 0.57 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xqq h VAL 26 CO 0.03 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.73 1xqq h LYS 27 N -0.27 0.00 0.00 1.57 1.57 -1.07 -3.23 116.57 115.14 1xqq h LYS 27 Ca 0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xqq h LYS 27 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xqq h LYS 27 CO -0.29 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.40 1xqq h ALA 28 N 2.00 1.19 0.00 3.86 0.00 -1.16 -2.51 119.26 122.64 1xqq h ALA 28 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1xqq h ALA 28 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1xqq h ALA 28 CO 0.00 0.24 -1.14 0.87 0.00 0.00 0.00 179.25 179.22 1xqq h LYS 29 N 0.00 0.00 -0.10 0.00 1.57 -1.63 -1.43 116.57 114.99 1xqq h LYS 29 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1xqq h LYS 29 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xqq h LYS 29 CO 0.02 0.62 -0.37 0.82 -0.57 0.00 0.00 179.45 179.98 1xqq h ILE 30 N 0.00 1.39 -0.38 1.86 2.04 -1.61 -1.96 117.51 118.85 1xqq h ILE 30 Ca -0.11 -1.71 0.08 0.00 1.00 0.00 0.00 64.86 64.12 1xqq h ILE 30 Cb 1.70 2.21 -0.07 0.00 -0.74 0.00 0.00 36.82 39.92 1xqq h ILE 30 CO 0.09 0.50 -0.10 -0.61 0.00 0.00 0.00 178.15 178.03 1xqq h GLN 31 N -0.02 -0.01 -0.59 2.37 4.15 -1.53 0.47 115.11 119.95 1xqq h GLN 31 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1xqq h GLN 31 Cb 1.00 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.59 1xqq h GLN 31 CO 0.08 -0.01 -0.02 0.22 -1.93 0.00 0.00 178.83 177.17 1xqq h ASP 32 N -0.01 -0.30 0.00 -0.69 3.58 -1.26 -2.40 116.42 115.34 1xqq h ASP 32 Ca 0.19 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1xqq h ASP 32 Cb 0.29 0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1xqq h ASP 32 CO -0.40 -0.12 0.00 1.17 -2.88 0.00 0.00 179.24 177.01 1xqq n LYS 33 N -5.29 0.00 0.05 0.28 4.81 -0.74 -4.70 118.16 112.57 1xqq n LYS 33 Ca 0.08 0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 57.82 1xqq n LYS 33 Cb 0.34 -0.95 0.01 0.00 0.02 0.00 0.00 35.03 34.45 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1xqq h GLU 34 N 0.00 0.41 -1.05 1.64 4.39 -0.22 -3.48 114.58 116.26 1xqq h GLU 34 Ca 0.00 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1xqq h GLU 34 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1xqq h GLU 34 CO 0.00 1.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 1xqq n GLY 35 N 0.67 0.83 3.72 -3.84 0.00 -0.90 -5.00 105.19 100.66 1xqq n GLY 35 Ca -0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.78 4.72 0.32 -0.61 1.01 -1.26 -5.02 121.20 117.59 1xqq s ILE 36 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 1xqq s ILE 36 Cb 0.00 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.34 1xqq s ILE 36 CO 0.00 0.58 0.85 -2.84 0.00 0.00 0.00 174.94 173.53 1xqq s PRO 37 N -0.64 4.31 0.00 2.79 0.02 -1.26 -4.07 135.00 136.15 1xqq s PRO 37 Ca 0.11 1.04 0.17 0.00 0.02 0.00 0.00 61.00 62.34 1xqq s PRO 37 Cb -0.12 -2.60 0.91 0.00 0.02 0.00 0.00 34.50 32.71 1xqq s PRO 37 CO 0.02 0.21 1.46 -2.30 -0.33 0.00 0.00 177.00 176.06 1xqq n PRO 38 N 0.14 0.36 0.05 5.54 -0.02 -1.26 -2.49 135.00 137.33 1xqq n PRO 38 Ca 0.02 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1xqq n PRO 38 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xqq n ASP 39 N -1.17 0.65 0.12 2.55 5.75 -1.26 -3.81 116.55 119.39 1xqq n ASP 39 Ca 0.10 0.27 0.01 0.00 -0.01 0.00 0.00 54.79 55.15 1xqq n ASP 39 Cb 0.10 0.68 -0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1xqq n ASP 39 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1xqq h GLN 40 N 0.00 0.00 -6.25 0.11 4.15 -1.87 -3.44 115.11 107.81 1xqq h GLN 40 Ca -0.07 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.79 1xqq h GLN 40 Cb 1.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1xqq h GLN 40 CO 0.01 0.58 0.92 -0.65 -1.93 0.00 0.00 178.83 177.77 1xqq s GLN 41 N -2.92 4.24 -0.19 1.69 -0.21 -1.22 -0.22 119.66 120.84 1xqq s GLN 41 Ca 0.03 1.89 0.01 0.00 0.02 0.00 0.00 55.36 57.32 1xqq s GLN 41 Cb 0.08 -3.76 0.03 0.00 1.00 0.00 0.00 33.01 30.36 1xqq s GLN 41 CO 0.76 -0.69 -0.13 1.03 -2.12 0.00 0.00 175.29 174.13 1xqq s ARG 42 N 3.27 2.31 -0.31 2.91 0.52 0.61 -4.94 118.95 123.33 1xqq s ARG 42 Ca 0.62 -0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 1xqq s ARG 42 Cb -0.28 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 1xqq s ARG 42 CO 0.22 -0.35 0.18 -1.17 0.02 0.00 0.00 175.30 174.21 1xqq s LEU 43 N 1.37 4.17 -0.30 2.53 2.96 -1.26 0.00 118.68 128.16 1xqq s LEU 43 Ca 0.01 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1xqq s LEU 43 Cb -0.15 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1xqq s LEU 43 CO -0.10 -0.18 0.15 -0.63 -1.32 0.00 0.00 176.35 174.27 1xqq s ILE 44 N 1.66 4.69 -0.35 6.68 -1.09 0.47 -1.20 121.20 132.06 1xqq s ILE 44 Ca 0.05 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.05 1xqq s ILE 44 Cb -0.17 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1xqq s ILE 44 CO 0.08 0.15 0.38 0.12 -1.23 0.00 0.00 174.94 174.43 1xqq s PHE 45 N 1.64 3.20 0.00 3.97 5.36 0.87 -1.63 117.98 131.40 1xqq s PHE 45 Ca 0.05 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1xqq s PHE 45 Cb -0.16 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1xqq s PHE 45 CO 0.07 -0.48 0.00 0.00 -1.46 0.00 0.00 175.22 173.35 1xqq n ALA 46 N 5.42 0.00 -0.41 11.12 0.00 -1.26 0.29 120.51 135.67 1xqq n ALA 46 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.49 0.00 0.02 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 2.30 3.62 0.00 0.00 -1.26 -5.00 105.19 104.85 1xqq n GLY 47 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.12 3.98 -0.11 1.61 1.02 0.14 -5.05 119.74 120.20 1xqq s LYS 48 Ca 0.05 -0.33 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 1xqq s LYS 48 Cb 0.05 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1xqq s LYS 48 CO 0.01 0.10 0.77 -1.14 -0.92 0.00 0.00 175.35 174.16 1xqq s GLN 49 N 0.89 4.37 0.15 1.68 0.74 -1.26 -0.09 119.66 126.14 1xqq s GLN 49 Ca 0.06 0.95 -0.14 0.00 0.05 0.00 0.00 55.36 56.27 1xqq s GLN 49 Cb -0.13 -3.51 -0.07 0.00 1.10 0.00 0.00 33.01 30.40 1xqq s GLN 49 CO 0.03 -0.13 0.55 -0.51 -0.55 0.00 0.00 175.29 174.68 1xqq s LEU 50 N 1.46 4.34 0.01 3.68 1.43 -0.34 -4.95 118.68 124.31 1xqq s LEU 50 Ca 0.38 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1xqq s LEU 50 Cb -0.17 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1xqq s LEU 50 CO 0.16 0.10 0.17 -1.61 0.23 0.00 0.00 176.35 175.40 1xqq s GLU 51 N -1.95 3.36 0.19 1.70 2.02 -1.26 -4.71 118.70 118.05 1xqq s GLU 51 Ca 0.38 -0.38 -0.21 0.00 0.02 0.00 0.00 54.97 54.78 1xqq s GLU 51 Cb -0.15 -3.04 0.12 0.00 0.10 0.00 0.00 34.13 31.16 1xqq s GLU 51 CO 0.19 0.66 1.58 -0.44 0.02 0.00 0.00 175.26 177.27 1xqq h ASP 52 N 3.73 -1.23 -0.25 -0.19 3.32 -1.99 -2.90 116.42 116.90 1xqq h ASP 52 Ca -0.48 0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1xqq h ASP 52 Cb 1.18 0.61 -0.05 0.00 0.22 0.00 0.00 39.33 41.29 1xqq h ASP 52 CO 0.69 -0.31 0.10 0.61 -1.72 0.00 0.00 179.24 178.61 1xqq n GLY 53 N -1.43 2.37 3.73 2.75 0.00 -1.26 -2.08 105.19 109.26 1xqq n GLY 53 Ca 0.04 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.35 2.17 0.43 1.61 1.81 -1.10 -5.02 118.95 117.50 1xqq s ARG 54 Ca 0.18 -1.99 0.06 0.00 -1.72 0.00 0.00 55.73 52.26 1xqq s ARG 54 Cb 0.15 -1.86 0.06 0.00 -0.45 0.00 0.00 34.95 32.84 1xqq s ARG 54 CO 0.04 -0.18 0.47 0.25 -0.68 0.00 0.00 175.30 175.21 1xqq n THR 55 N -1.23 0.00 0.09 0.02 -2.24 -1.26 -2.15 114.28 107.51 1xqq n THR 55 Ca -0.04 -1.58 -0.03 0.00 -2.27 0.00 0.00 64.05 60.13 1xqq n THR 55 Cb 0.65 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1xqq n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 56 N 0.00 0.00 -0.43 3.22 3.38 -1.44 -3.31 115.31 116.73 1xqq h LEU 56 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1xqq h LEU 56 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1xqq h LEU 56 CO 0.36 0.80 0.02 -1.28 0.09 0.00 0.00 178.44 178.43 1xqq h SER 57 N 0.00 0.73 -1.01 -0.43 0.87 -1.34 -0.48 113.55 111.90 1xqq h SER 57 Ca -0.01 -0.30 0.22 0.00 -1.23 0.00 0.00 61.79 60.47 1xqq h SER 57 Cb 1.62 -0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 63.27 1xqq h SER 57 CO 0.10 0.85 0.61 0.44 -0.53 0.00 0.00 176.83 178.29 1xqq h ASP 58 N 0.59 0.72 0.53 6.23 3.32 -1.84 -3.15 116.42 122.82 1xqq h ASP 58 Ca 0.12 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xqq h ASP 58 Cb 0.46 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xqq h ASP 58 CO 0.02 0.18 -1.34 -1.22 -1.72 0.00 0.00 179.24 175.16 1xqq n TYR 59 N -4.82 0.49 -2.28 4.55 4.01 -1.20 -5.00 117.16 112.91 1xqq n TYR 59 Ca 0.25 0.14 -0.05 0.00 -0.16 0.00 0.00 57.90 58.08 1xqq n TYR 59 Cb 0.67 -0.69 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.37 -2.68 -4.62 7.72 4.13 -0.43 -5.03 115.26 111.97 1xqq n ASN 60 Ca -0.01 -0.21 -0.39 0.00 1.68 0.00 0.00 54.58 55.65 1xqq n ASN 60 Cb 0.53 -2.00 -0.08 0.00 -1.54 0.00 0.00 39.78 36.69 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 -3.12 5.12 0.60 2.41 1.01 -0.32 -5.04 121.20 121.87 1xqq s ILE 61 Ca 0.07 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 1xqq s ILE 61 Cb -0.01 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1xqq s ILE 61 CO 0.24 0.13 0.87 -1.10 0.00 0.00 0.00 174.94 175.08 1xqq s GLN 62 N 2.09 2.52 0.70 2.79 -0.21 -1.26 -4.80 119.66 121.49 1xqq s GLN 62 Ca 0.19 -0.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.95 1xqq s GLN 62 Cb -0.16 -2.35 0.03 0.00 1.00 0.00 0.00 33.01 31.53 1xqq s GLN 62 CO 0.09 -0.86 1.19 -1.59 -2.12 0.00 0.00 175.29 172.00 1xqq s LYS 63 N -4.95 2.34 -1.00 2.91 -2.85 -1.26 -3.42 119.74 111.50 1xqq s LYS 63 Ca 0.57 1.69 -0.12 0.00 -1.00 0.00 0.00 55.97 57.11 1xqq s LYS 63 Cb -0.10 -1.86 0.12 0.00 -2.06 0.00 0.00 37.83 33.92 1xqq s LYS 63 CO 0.42 -1.67 0.32 0.39 0.10 0.00 0.00 175.35 174.91 1xqq n GLU 64 N -2.56 -2.02 -3.31 1.78 1.02 0.13 -4.95 120.64 110.73 1xqq n GLU 64 Ca 0.13 0.12 -0.38 0.00 -0.02 0.00 0.00 57.16 57.01 1xqq n GLU 64 Cb 0.50 -4.68 -0.06 0.00 -0.02 0.00 0.00 31.44 27.18 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.64 6.66 -0.21 1.62 0.15 -1.22 -4.75 113.70 113.31 1xqq s SER 65 Ca 0.42 0.79 -0.22 0.00 0.70 0.00 0.00 55.95 57.64 1xqq s SER 65 Cb -0.24 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1xqq s SER 65 CO 0.52 -0.02 0.69 -0.89 1.20 0.00 0.00 173.24 174.74 1xqq s THR 66 N 0.75 4.96 0.06 6.45 2.01 -1.26 -1.21 115.64 127.41 1xqq s THR 66 Ca 0.26 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.58 1xqq s THR 66 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1xqq s THR 66 CO 0.10 0.06 0.17 -0.76 -0.69 0.00 0.00 174.62 173.50 1xqq s LEU 67 N 2.16 4.19 -0.17 4.42 1.43 -0.40 -4.81 118.68 125.50 1xqq s LEU 67 Ca 0.31 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 1xqq s LEU 67 Cb -0.16 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1xqq s LEU 67 CO 0.10 0.18 0.21 -1.00 0.23 0.00 0.00 176.35 176.06 1xqq s HIS 68 N -1.46 3.45 -0.25 0.29 3.76 -0.65 -1.63 115.29 118.80 1xqq s HIS 68 Ca 0.33 0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 55.69 1xqq s HIS 68 Cb -0.13 -2.23 0.02 0.00 1.11 0.00 0.00 32.58 31.36 1xqq s HIS 68 CO 0.26 0.31 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.23 1xqq s LEU 69 N 0.28 3.21 0.34 0.89 2.96 -1.08 -0.40 118.68 124.89 1xqq s LEU 69 Ca 0.12 -0.82 0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1xqq s LEU 69 Cb -0.12 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1xqq s LEU 69 CO 0.01 -0.12 0.10 0.68 -1.32 0.00 0.00 176.35 175.70 1xqq s VAL 70 N 1.35 2.89 0.11 1.68 -7.23 0.10 -4.29 120.40 115.01 1xqq s VAL 70 Ca 0.01 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1xqq s VAL 70 Cb -0.16 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1xqq s VAL 70 CO -0.04 -0.19 0.09 -0.76 -0.31 0.00 0.00 175.10 173.89 1xqq s LEU 71 N -3.80 3.78 0.23 1.32 1.43 -1.26 -0.28 118.68 120.09 1xqq s LEU 71 Ca 0.37 -0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 71 Cb -0.02 -2.44 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 1xqq s LEU 71 CO 0.21 0.14 1.58 -0.60 0.23 0.00 0.00 176.35 177.91 1xqq s ARG 72 N -2.62 4.18 -0.18 1.70 3.52 0.70 -4.91 118.95 121.34 1xqq s ARG 72 Ca 0.30 2.46 -0.12 0.00 -0.13 0.00 0.00 55.73 58.24 1xqq s ARG 72 Cb -0.11 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1xqq s ARG 72 CO 0.22 -0.60 0.22 -1.17 -0.81 0.00 0.00 175.30 173.16 1xqq s LEU 73 N 0.34 4.23 0.00 -0.88 2.96 -1.26 -4.99 118.68 119.08 1xqq s LEU 73 Ca 0.67 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1xqq s LEU 73 Cb -0.46 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 43.99 1xqq s LEU 73 CO 0.39 0.14 0.00 0.54 -1.32 0.00 0.00 176.35 176.10 1xqq n ARG 74 N 3.52 0.00 -3.66 1.98 1.74 -1.26 -5.14 116.66 113.84 1xqq n ARG 74 Ca -0.14 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.89 1xqq n ARG 74 Cb 0.52 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.89 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xqq s GLY 75 N 0.00 -0.57 0.00 -0.13 0.00 -1.26 -5.34 107.32 100.02 1xqq s GLY 75 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1xqq s GLY 75 CO 0.00 2.62 0.00 0.61 0.00 0.00 0.00 173.10 176.33