#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 4.26 0.07 3.17 -1.52 -1.26 -0.76 119.66 123.62 1xqq s GLN 2 Ca 0.00 0.46 0.05 0.00 -1.95 0.00 0.00 55.36 53.92 1xqq s GLN 2 Cb 0.00 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.38 1xqq s GLN 2 CO 0.00 0.29 -0.13 0.96 -0.25 0.00 0.00 175.29 176.15 1xqq s ILE 3 N 0.19 1.06 -0.25 1.08 -4.36 -0.35 -0.74 121.20 117.84 1xqq s ILE 3 Ca 0.26 -1.30 -0.11 0.00 -0.26 0.00 0.00 60.65 59.23 1xqq s ILE 3 Cb -0.16 -1.04 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1xqq s ILE 3 CO 0.11 -0.25 0.19 -0.36 0.24 0.00 0.00 174.94 174.87 1xqq s PHE 4 N -1.33 3.29 -0.24 1.37 0.08 -0.58 -1.43 117.98 119.14 1xqq s PHE 4 Ca -0.02 0.23 -0.08 0.00 0.12 0.00 0.00 56.93 57.18 1xqq s PHE 4 Cb -0.10 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1xqq s PHE 4 CO 0.02 -0.01 0.10 0.08 -0.10 0.00 0.00 175.22 175.31 1xqq s VAL 5 N 1.28 4.64 -0.44 -0.44 1.01 0.13 -0.70 120.40 125.90 1xqq s VAL 5 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1xqq s VAL 5 Cb -0.14 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.14 1xqq s VAL 5 CO 0.07 0.34 0.31 -0.54 0.00 0.00 0.00 175.10 175.28 1xqq s LYS 6 N 1.40 2.81 1.19 2.72 -0.14 0.39 -0.55 119.74 127.56 1xqq s LYS 6 Ca 0.06 -1.34 -0.19 0.00 -1.36 0.00 0.00 55.97 53.14 1xqq s LYS 6 Cb -0.15 -3.93 0.28 0.00 -1.68 0.00 0.00 37.83 32.35 1xqq s LYS 6 CO 0.05 -0.94 1.11 0.95 -0.76 0.00 0.00 175.35 175.76 1xqq s THR 7 N 1.55 1.63 0.12 2.17 -4.23 -1.15 -0.37 115.64 115.36 1xqq s THR 7 Ca 0.03 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1xqq s THR 7 Cb -0.23 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1xqq s THR 7 CO 0.05 0.00 1.56 -0.07 -0.54 0.00 0.00 174.62 175.62 1xqq h LEU 8 N -2.53 0.67 -0.12 4.79 3.38 -1.93 -2.46 115.31 117.12 1xqq h LEU 8 Ca -0.45 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.18 1xqq h LEU 8 Cb 1.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 8 CO 0.35 0.82 -0.03 0.71 0.09 0.00 0.00 178.44 180.38 1xqq h THR 9 N 0.50 1.29 0.00 0.22 1.35 -1.93 -3.49 112.91 110.86 1xqq h THR 9 Ca 0.11 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1xqq h THR 9 Cb 0.48 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1xqq h THR 9 CO 0.02 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1xqq n GLY 10 N -0.11 0.99 3.74 5.82 0.00 -0.92 -5.11 105.19 109.60 1xqq n GLY 10 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.01 4.56 -0.60 1.61 1.02 -1.26 -4.79 119.74 120.29 1xqq s LYS 11 Ca 0.00 1.18 -0.22 0.00 0.02 0.00 0.00 55.97 56.96 1xqq s LYS 11 Cb 0.00 -3.35 0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1xqq s LYS 11 CO 0.00 0.30 0.85 0.99 -0.92 0.00 0.00 175.35 176.57 1xqq s THR 12 N -0.18 4.52 -0.48 2.17 2.01 -1.26 -2.92 115.64 119.51 1xqq s THR 12 Ca 0.40 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.76 1xqq s THR 12 Cb -0.22 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.77 1xqq s THR 12 CO 0.25 -1.22 0.93 -0.63 -0.69 0.00 0.00 174.62 173.25 1xqq s ILE 13 N 3.53 4.46 -0.32 1.82 1.01 0.29 -4.90 121.20 127.09 1xqq s ILE 13 Ca 0.20 0.66 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 1xqq s ILE 13 Cb -0.18 -4.45 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 1xqq s ILE 13 CO 0.11 -0.89 0.56 -0.89 0.00 0.00 0.00 174.94 173.84 1xqq s THR 14 N 3.79 4.99 -0.06 2.92 2.01 -1.26 0.22 115.64 128.25 1xqq s THR 14 Ca 0.36 0.65 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1xqq s THR 14 Cb -0.10 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1xqq s THR 14 CO 0.25 -0.14 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.11 1xqq s LEU 15 N 2.48 2.50 -0.34 4.42 1.43 -0.51 -4.97 118.68 123.69 1xqq s LEU 15 Ca 0.22 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 15 Cb -0.15 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1xqq s LEU 15 CO 0.12 0.29 0.09 -0.70 0.23 0.00 0.00 176.35 176.38 1xqq s GLU 16 N -0.39 2.51 0.28 1.70 2.56 -1.26 -1.21 118.70 122.89 1xqq s GLU 16 Ca 0.04 -1.29 0.07 0.00 0.00 0.00 0.00 54.97 53.79 1xqq s GLU 16 Cb -0.12 -3.41 -0.06 0.00 2.00 0.00 0.00 34.13 32.54 1xqq s GLU 16 CO 0.02 -0.71 -0.06 0.14 -0.56 0.00 0.00 175.26 174.09 1xqq s VAL 17 N 1.34 1.63 0.20 3.70 -7.23 0.06 -4.88 120.40 115.22 1xqq s VAL 17 Ca -0.01 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1xqq s VAL 17 Cb -0.20 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1xqq s VAL 17 CO 0.01 -0.31 0.38 -1.61 -0.31 0.00 0.00 175.10 173.26 1xqq s GLU 18 N -3.73 3.51 0.59 4.82 2.02 -1.26 0.15 118.70 124.80 1xqq s GLU 18 Ca 0.29 -0.39 0.31 0.00 0.02 0.00 0.00 54.97 55.21 1xqq s GLU 18 Cb 0.04 -2.86 1.87 0.00 0.10 0.00 0.00 34.13 33.28 1xqq s GLU 18 CO 0.12 0.42 2.25 -1.00 0.02 0.00 0.00 175.26 177.07 1xqq h PRO 19 N 1.99 0.00 -0.85 0.39 0.13 -1.94 0.26 132.00 131.98 1xqq h PRO 19 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 1xqq h PRO 19 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1xqq h PRO 19 CO 0.68 0.01 0.36 -1.13 -0.23 0.00 0.00 178.00 177.69 1xqq n SER 20 N -3.72 4.37 -4.94 1.44 3.41 -1.26 -0.34 113.62 112.58 1xqq n SER 20 Ca -0.03 -3.23 -0.24 0.00 -0.26 0.00 0.00 58.87 55.11 1xqq n SER 20 Cb 0.10 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.95 6.32 0.41 4.04 1.01 0.08 -4.89 116.67 122.69 1xqq s ASP 21 Ca 0.52 0.44 0.08 0.00 0.71 0.00 0.00 52.55 54.29 1xqq s ASP 21 Cb 0.42 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 1xqq s ASP 21 CO 0.12 -0.24 0.42 0.42 0.21 0.00 0.00 175.17 176.10 1xqq s THR 22 N -2.22 2.78 0.14 -1.27 -4.23 -1.26 -0.72 115.64 108.85 1xqq s THR 22 Ca 0.40 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1xqq s THR 22 Cb -0.10 -3.01 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 1xqq s THR 22 CO 0.34 -0.01 1.46 0.40 -0.54 0.00 0.00 174.62 176.27 1xqq h ILE 23 N 0.94 1.27 -0.98 2.99 5.03 -1.56 -2.54 117.51 122.67 1xqq h ILE 23 Ca -0.41 -1.59 0.33 0.00 -0.12 0.00 0.00 64.86 63.07 1xqq h ILE 23 Cb 1.27 1.45 -0.16 0.00 -3.03 0.00 0.00 36.82 36.34 1xqq h ILE 23 CO 0.54 0.53 0.44 -0.08 -0.68 0.00 0.00 178.15 178.90 1xqq h GLU 24 N 0.73 0.17 0.80 2.37 4.81 -1.54 -1.03 114.58 120.88 1xqq h GLU 24 Ca 0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xqq h GLU 24 Cb 1.01 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1xqq h GLU 24 CO 0.10 0.11 -0.38 -0.97 -0.73 0.00 0.00 179.01 177.14 1xqq h ASN 25 N 0.17 -0.91 -0.96 1.04 -0.00 -1.74 -3.03 115.58 110.16 1xqq h ASN 25 Ca 0.72 0.03 0.26 0.00 -0.00 0.00 0.00 56.30 57.31 1xqq h ASN 25 Cb 1.68 0.23 -0.13 0.00 -0.00 0.00 0.00 38.32 40.10 1xqq h ASN 25 CO -0.70 -0.57 0.48 0.58 -0.00 0.00 0.00 177.43 177.22 1xqq h VAL 26 N -1.22 0.43 -0.73 2.57 2.07 -1.26 -1.90 116.25 116.21 1xqq h VAL 26 Ca -0.11 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1xqq h VAL 26 Cb 0.82 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1xqq h VAL 26 CO 0.18 0.07 0.48 0.11 0.02 0.00 0.00 177.57 178.44 1xqq h LYS 27 N 0.41 0.61 0.00 1.57 1.57 -1.09 -1.95 116.57 117.70 1xqq h LYS 27 Ca 0.63 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.32 1xqq h LYS 27 Cb 1.29 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1xqq h LYS 27 CO -0.55 0.41 -0.28 0.00 -0.57 0.00 0.00 179.45 178.46 1xqq h ALA 28 N 1.63 0.97 -0.01 3.86 0.00 -1.23 -2.22 119.26 122.25 1xqq h ALA 28 Ca 0.34 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xqq h ALA 28 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xqq h ALA 28 CO -0.12 0.35 -0.25 0.87 0.00 0.00 0.00 179.25 180.10 1xqq h LYS 29 N 0.00 0.01 0.06 0.00 1.57 -1.34 -1.24 116.57 115.63 1xqq h LYS 29 Ca -0.00 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1xqq h LYS 29 Cb 0.87 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1xqq h LYS 29 CO 0.04 0.26 -1.06 0.82 -0.57 0.00 0.00 179.45 178.93 1xqq h ILE 30 N 0.01 1.51 -0.08 1.86 2.04 -1.45 -1.23 117.51 120.17 1xqq h ILE 30 Ca -0.00 -2.88 -0.07 0.00 1.00 0.00 0.00 64.86 62.91 1xqq h ILE 30 Cb 0.44 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1xqq h ILE 30 CO 0.03 0.84 -0.27 -0.61 0.00 0.00 0.00 178.15 178.15 1xqq h GLN 31 N 0.10 0.14 0.83 2.37 4.15 -1.29 -0.62 115.11 120.79 1xqq h GLN 31 Ca -0.09 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1xqq h GLN 31 Cb 1.75 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.44 1xqq h GLN 31 CO 0.17 0.41 -0.40 0.22 -1.93 0.00 0.00 178.83 177.30 1xqq h ASP 32 N 0.13 -0.94 0.00 -0.69 3.58 -0.89 -3.11 116.42 114.51 1xqq h ASP 32 Ca 0.02 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xqq h ASP 32 Cb 0.55 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1xqq h ASP 32 CO 0.04 -0.62 -0.00 0.11 -2.88 0.00 0.00 179.24 175.89 1xqq h LYS 33 N -1.22 -0.01 0.00 0.28 1.57 -1.20 -3.42 116.57 112.57 1xqq h LYS 33 Ca -0.11 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 1xqq h LYS 33 Cb 0.85 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1xqq h LYS 33 CO 0.19 -0.00 -1.07 0.93 -0.57 0.00 0.00 179.45 178.92 1xqq h GLU 34 N -0.63 0.00 0.00 3.15 4.39 -1.38 -3.50 114.58 116.61 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 0.78 0.00 0.41 -1.16 0.00 0.00 179.01 179.04 1xqq n GLY 35 N 1.37 0.91 3.71 -3.84 0.00 -0.59 -4.98 105.19 101.78 1xqq n GLY 35 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 5.04 0.49 -0.61 1.01 -1.26 -4.94 121.20 118.94 1xqq s ILE 36 Ca 0.00 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.86 1xqq s ILE 36 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1xqq s ILE 36 CO 0.00 0.24 1.23 -2.84 0.00 0.00 0.00 174.94 173.57 1xqq s PRO 37 N 0.86 3.52 0.42 2.79 0.02 -1.26 -4.15 135.00 137.21 1xqq s PRO 37 Ca 0.37 1.92 0.30 0.00 0.02 0.00 0.00 61.00 63.61 1xqq s PRO 37 Cb -0.18 -2.33 1.42 0.00 0.02 0.00 0.00 34.50 33.44 1xqq s PRO 37 CO 0.18 -0.79 1.89 -1.35 -0.33 0.00 0.00 177.00 176.60 1xqq h PRO 38 N 1.80 0.00 0.00 5.54 0.11 -1.95 -1.75 132.00 135.74 1xqq h PRO 38 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xqq h PRO 38 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.59 0.00 -0.36 0.22 -0.21 0.00 0.00 178.00 178.24 1xqq h ASP 39 N 0.00 0.00 0.67 -2.05 3.58 -2.00 -3.32 116.42 113.30 1xqq h ASP 39 Ca 0.00 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1xqq h ASP 39 Cb 0.22 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1xqq h ASP 39 CO 0.00 0.00 -1.43 1.67 -2.88 0.00 0.00 179.24 176.61 1xqq n GLN 40 N -2.92 0.62 -1.91 0.28 7.27 -0.68 -4.77 117.38 115.26 1xqq n GLN 40 Ca 0.03 0.15 -0.32 0.00 0.07 0.00 0.00 57.00 56.92 1xqq n GLN 40 Cb 0.53 -1.77 0.02 0.00 2.41 0.00 0.00 30.24 31.44 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 -3.06 3.15 -0.04 3.69 -0.21 -1.09 -0.75 119.66 121.36 1xqq s GLN 41 Ca -0.03 1.20 -0.02 0.00 0.02 0.00 0.00 55.36 56.53 1xqq s GLN 41 Cb 0.09 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 32.12 1xqq s GLN 41 CO 0.82 -0.95 0.05 0.50 -2.12 0.00 0.00 175.29 173.59 1xqq s ARG 42 N -4.22 -0.00 -0.16 2.91 3.52 -0.14 -4.25 118.95 116.60 1xqq s ARG 42 Ca 0.63 0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 1xqq s ARG 42 Cb -0.17 -0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 32.62 1xqq s ARG 42 CO 0.40 -0.33 0.06 -0.51 -0.81 0.00 0.00 175.30 174.12 1xqq s LEU 43 N 2.15 3.84 -0.09 -0.88 1.43 -1.26 -1.38 118.68 122.49 1xqq s LEU 43 Ca 0.05 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1xqq s LEU 43 Cb -0.12 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1xqq s LEU 43 CO -0.03 0.24 -0.23 -0.63 0.23 0.00 0.00 176.35 175.92 1xqq s ILE 44 N -0.01 1.99 0.00 -0.59 1.01 0.17 -4.59 121.20 119.19 1xqq s ILE 44 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xqq s ILE 44 Cb -0.12 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1xqq s ILE 44 CO 0.01 0.55 0.00 0.33 0.00 0.00 0.00 174.94 175.83 1xqq n PHE 45 N 3.47 0.00 0.00 3.97 7.35 -1.26 -0.88 117.46 130.11 1xqq n PHE 45 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1xqq n PHE 45 Cb 0.53 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.27 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -1.16 0.54 -1.52 3.13 0.00 -1.26 -4.74 120.51 115.50 1xqq n ALA 46 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.21 0.77 3.88 0.00 0.00 -1.26 -5.12 105.19 105.67 1xqq n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.70 -0.07 1.61 1.02 -1.26 -5.10 119.74 118.64 1xqq s LYS 48 Ca 0.00 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 54.55 1xqq s LYS 48 Cb 0.00 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1xqq s LYS 48 CO 0.00 -0.02 0.25 -1.14 -0.92 0.00 0.00 175.35 173.52 1xqq s GLN 49 N -4.07 3.63 -0.08 1.68 0.74 -1.26 -4.65 119.66 115.66 1xqq s GLN 49 Ca 0.44 0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.89 1xqq s GLN 49 Cb -0.06 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 1xqq s GLN 49 CO 0.28 0.74 0.12 -0.51 -0.55 0.00 0.00 175.29 175.37 1xqq s LEU 50 N -1.04 4.20 0.08 3.68 1.43 -1.26 -5.11 118.68 120.67 1xqq s LEU 50 Ca 0.18 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1xqq s LEU 50 Cb -0.14 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1xqq s LEU 50 CO 0.08 0.36 0.28 -1.61 0.23 0.00 0.00 176.35 175.69 1xqq s GLU 51 N -1.28 3.53 0.35 1.70 2.02 -1.26 -5.01 118.70 118.74 1xqq s GLU 51 Ca 0.18 -0.25 0.10 0.00 0.02 0.00 0.00 54.97 55.02 1xqq s GLU 51 Cb -0.12 -2.97 0.66 0.00 0.10 0.00 0.00 34.13 31.80 1xqq s GLU 51 CO 0.08 0.56 1.82 -0.44 0.02 0.00 0.00 175.26 177.29 1xqq h ASP 52 N 3.10 0.13 -0.85 -0.19 5.19 -1.99 -3.31 116.42 118.50 1xqq h ASP 52 Ca -0.46 -0.04 -0.54 0.00 -0.62 0.00 0.00 57.03 55.37 1xqq h ASP 52 Cb 1.17 -0.03 -0.29 0.00 0.18 0.00 0.00 39.33 40.35 1xqq h ASP 52 CO 0.73 0.45 0.37 0.61 -3.12 0.00 0.00 179.24 178.28 1xqq n GLY 53 N -0.50 5.53 3.38 2.75 0.00 -1.26 -1.50 105.19 113.59 1xqq n GLY 53 Ca -0.01 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.58 1.42 0.58 1.61 1.81 -1.25 -5.03 118.95 114.51 1xqq s ARG 54 Ca 0.57 -1.67 -0.04 0.00 -1.72 0.00 0.00 55.73 52.87 1xqq s ARG 54 Cb 0.47 -1.12 0.02 0.00 -0.45 0.00 0.00 34.95 33.87 1xqq s ARG 54 CO 0.02 0.12 0.87 0.95 -0.68 0.00 0.00 175.30 176.58 1xqq s THR 55 N -3.00 3.30 0.23 0.02 -4.23 -1.26 -2.94 115.64 107.75 1xqq s THR 55 Ca 0.26 -0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1xqq s THR 55 Cb 0.01 -3.30 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1xqq s THR 55 CO 0.09 -0.29 1.89 -0.07 -0.54 0.00 0.00 174.62 175.71 1xqq h LEU 56 N -0.13 0.95 -1.09 4.79 4.07 -0.68 -2.81 115.31 120.41 1xqq h LEU 56 Ca -0.45 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 57.53 1xqq h LEU 56 Cb 1.27 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.73 1xqq h LEU 56 CO 0.59 0.68 0.61 -1.28 -1.08 0.00 0.00 178.44 177.96 1xqq h SER 57 N 1.12 1.01 -0.24 -0.43 0.87 -0.88 -0.11 113.55 114.89 1xqq h SER 57 Ca 0.32 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.76 1xqq h SER 57 Cb -0.09 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1xqq h SER 57 CO -0.08 0.68 -0.21 0.44 -0.53 0.00 0.00 176.83 177.13 1xqq h ASP 58 N 1.16 0.70 0.04 6.23 3.32 -1.78 0.40 116.42 126.50 1xqq h ASP 58 Ca 0.38 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xqq h ASP 58 Cb 0.04 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1xqq h ASP 58 CO -0.12 0.91 -0.02 -1.22 -1.72 0.00 0.00 179.24 177.07 1xqq n TYR 59 N -4.12 0.00 -3.34 4.55 4.01 -1.16 -4.94 117.16 112.16 1xqq n TYR 59 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1xqq n TYR 59 Cb 0.41 -0.02 0.03 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 -0.44 -5.49 -4.48 7.72 4.13 0.13 -4.95 115.26 111.88 1xqq n ASN 60 Ca 0.20 -0.43 -0.42 0.00 1.68 0.00 0.00 54.58 55.61 1xqq n ASN 60 Cb 0.25 -4.41 -0.10 0.00 -1.54 0.00 0.00 39.78 33.97 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 -3.17 5.22 0.00 2.41 1.01 -0.15 -5.00 121.20 121.52 1xqq s ILE 61 Ca 0.43 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1xqq s ILE 61 Cb -0.20 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1xqq s ILE 61 CO 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 174.94 175.19 1xqq n GLN 62 N 5.27 1.33 -0.72 2.79 1.13 -1.26 -4.34 117.38 121.59 1xqq n GLN 62 Ca -0.10 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.64 1xqq n GLN 62 Cb 0.48 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.98 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1xqq n LYS 63 N -0.70 -0.40 -1.20 -1.09 2.85 -1.26 -3.76 118.16 112.60 1xqq n LYS 63 Ca 0.00 -0.06 -0.07 0.00 -1.05 0.00 0.00 58.31 57.14 1xqq n LYS 63 Cb 0.00 -2.20 -0.03 0.00 -0.65 0.00 0.00 35.03 32.15 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 -3.35 -1.30 -2.78 -1.58 1.02 0.08 -4.96 120.64 107.78 1xqq n GLU 64 Ca 0.10 0.66 -0.41 0.00 -0.02 0.00 0.00 57.16 57.50 1xqq n GLU 64 Cb 0.52 -4.79 -0.04 0.00 -0.02 0.00 0.00 31.44 27.11 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 -2.37 7.41 -0.40 1.62 0.01 -1.25 -4.78 113.70 113.95 1xqq s SER 65 Ca 0.00 1.69 -0.19 0.00 1.31 0.00 0.00 55.95 58.76 1xqq s SER 65 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1xqq s SER 65 CO 0.00 -0.09 0.56 -0.89 0.41 0.00 0.00 173.24 173.24 1xqq s THR 66 N 0.18 4.94 -0.15 1.44 2.01 -1.26 -1.53 115.64 121.28 1xqq s THR 66 Ca 0.46 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 1xqq s THR 66 Cb -0.22 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1xqq s THR 66 CO 0.28 -0.41 0.21 -0.76 -0.69 0.00 0.00 174.62 173.25 1xqq s LEU 67 N 2.54 4.29 -0.28 4.42 1.43 0.13 -4.70 118.68 126.51 1xqq s LEU 67 Ca 0.20 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 1xqq s LEU 67 Cb -0.15 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1xqq s LEU 67 CO 0.16 0.22 0.42 -2.28 0.23 0.00 0.00 176.35 175.10 1xqq s HIS 68 N -0.09 3.24 -0.25 0.29 5.65 -0.06 -0.46 115.29 123.61 1xqq s HIS 68 Ca 0.14 0.41 -0.09 0.00 0.25 0.00 0.00 55.06 55.77 1xqq s HIS 68 Cb -0.12 -2.66 -0.04 0.00 -1.18 0.00 0.00 32.58 28.58 1xqq s HIS 68 CO 0.03 -0.29 0.11 -1.17 -0.65 0.00 0.00 174.74 172.76 1xqq s LEU 69 N 2.16 3.68 0.31 8.88 2.96 0.51 -0.65 118.68 136.52 1xqq s LEU 69 Ca 0.17 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1xqq s LEU 69 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1xqq s LEU 69 CO 0.10 -0.01 0.31 0.54 -1.32 0.00 0.00 176.35 175.98 1xqq s VAL 70 N 1.47 0.00 0.22 1.68 0.11 -0.48 -3.92 120.40 119.49 1xqq s VAL 70 Ca 0.06 -1.86 0.02 0.00 -2.93 0.00 0.00 61.98 57.27 1xqq s VAL 70 Cb -0.15 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 1xqq s VAL 70 CO 0.05 0.00 0.38 -0.76 -3.33 0.00 0.00 175.10 171.45 1xqq s LEU 71 N -3.28 4.25 0.22 2.54 1.02 -1.26 -0.96 118.68 121.20 1xqq s LEU 71 Ca 0.37 0.25 -0.11 0.00 0.02 0.00 0.00 54.13 54.66 1xqq s LEU 71 Cb 0.02 -3.03 -0.07 0.00 0.02 0.00 0.00 46.19 43.13 1xqq s LEU 71 CO 0.22 -0.07 0.55 -0.60 0.02 0.00 0.00 176.35 176.48 1xqq s ARG 72 N -3.66 3.84 -0.25 1.70 3.52 0.07 -4.65 118.95 119.53 1xqq s ARG 72 Ca 0.36 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 56.21 1xqq s ARG 72 Cb -0.10 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1xqq s ARG 72 CO 0.30 0.34 0.08 -0.51 -0.81 0.00 0.00 175.30 174.70 1xqq s LEU 73 N -2.68 3.54 0.30 -0.88 1.43 -1.26 -4.93 118.68 114.20 1xqq s LEU 73 Ca 0.46 -0.15 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 1xqq s LEU 73 Cb -0.12 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1xqq s LEU 73 CO 0.21 -0.01 0.08 -0.13 0.23 0.00 0.00 176.35 176.73 1xqq s ARG 74 N 1.50 2.39 0.00 1.70 0.52 -1.26 -4.94 118.95 118.86 1xqq s ARG 74 Ca 0.06 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1xqq s ARG 74 Cb -0.15 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1xqq s ARG 74 CO 0.04 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.02 1xqq n GLY 75 N -1.04 -0.80 0.25 -3.53 0.00 -1.26 -5.28 105.19 93.54 1xqq n GLY 75 Ca -0.05 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93