#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 4.17 0.27 3.17 0.74 -1.26 -1.64 119.66 125.11 1xqq s GLN 2 Ca 0.00 0.16 0.08 0.00 0.05 0.00 0.00 55.36 55.65 1xqq s GLN 2 Cb 0.00 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1xqq s GLN 2 CO 0.00 -0.02 -0.11 0.96 -0.55 0.00 0.00 175.29 175.58 1xqq s ILE 3 N 1.24 1.87 -0.03 -2.34 -4.36 -0.34 -0.40 121.20 116.84 1xqq s ILE 3 Ca 0.18 -2.20 0.07 0.00 -0.26 0.00 0.00 60.65 58.44 1xqq s ILE 3 Cb -0.15 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1xqq s ILE 3 CO 0.07 -0.38 -0.23 -0.36 0.24 0.00 0.00 174.94 174.29 1xqq s PHE 4 N -2.87 2.42 -0.19 1.37 0.08 -1.09 -1.19 117.98 116.52 1xqq s PHE 4 Ca 0.28 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1xqq s PHE 4 Cb 0.01 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.95 1xqq s PHE 4 CO 0.12 0.01 -0.18 0.08 -0.10 0.00 0.00 175.22 175.14 1xqq s VAL 5 N -0.62 2.00 0.02 -0.44 1.01 0.84 -1.75 120.40 121.47 1xqq s VAL 5 Ca 0.10 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1xqq s VAL 5 Cb -0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1xqq s VAL 5 CO -0.00 0.45 -0.20 -0.75 0.00 0.00 0.00 175.10 174.60 1xqq s LYS 6 N 1.29 2.10 0.83 2.72 2.20 -0.33 -0.73 119.74 127.82 1xqq s LYS 6 Ca 0.03 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1xqq s LYS 6 Cb -0.14 -2.17 0.11 0.00 -1.51 0.00 0.00 37.83 34.13 1xqq s LYS 6 CO -0.12 0.55 1.17 0.95 -0.36 0.00 0.00 175.35 177.55 1xqq s THR 7 N -0.84 2.07 0.23 3.43 -4.23 -0.15 -0.83 115.64 115.32 1xqq s THR 7 Ca 0.13 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1xqq s THR 7 Cb -0.10 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 1xqq s THR 7 CO 0.03 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 175.61 1xqq h LEU 8 N -1.10 0.37 0.02 4.79 3.38 -1.90 -3.37 115.31 117.50 1xqq h LEU 8 Ca -0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1xqq h LEU 8 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xqq h LEU 8 CO 0.55 0.84 -0.01 0.71 0.09 0.00 0.00 178.44 180.63 1xqq h THR 9 N 0.25 0.00 0.00 0.22 1.35 -1.94 -3.48 112.91 109.31 1xqq h THR 9 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1xqq h THR 9 Cb 1.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1xqq h THR 9 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1xqq n GLY 10 N 0.81 0.00 3.45 5.82 0.00 -1.26 -5.14 105.19 108.88 1xqq n GLY 10 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.66 -0.19 1.61 1.02 -1.26 -4.97 119.74 119.60 1xqq s LYS 11 Ca 0.00 -0.49 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1xqq s LYS 11 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1xqq s LYS 11 CO 0.00 -0.10 0.25 0.99 -0.92 0.00 0.00 175.35 175.57 1xqq s THR 12 N 1.35 5.32 -0.31 2.17 2.01 -1.26 -0.97 115.64 123.94 1xqq s THR 12 Ca 0.05 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 1xqq s THR 12 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1xqq s THR 12 CO 0.03 0.36 0.19 -0.63 -0.69 0.00 0.00 174.62 173.88 1xqq s ILE 13 N 0.75 5.01 -0.11 1.82 1.01 0.09 -4.99 121.20 124.79 1xqq s ILE 13 Ca 0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 1xqq s ILE 13 Cb -0.13 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1xqq s ILE 13 CO 0.04 0.10 0.41 -0.89 0.00 0.00 0.00 174.94 174.59 1xqq s THR 14 N 1.69 5.20 0.02 2.92 2.01 -1.26 -0.11 115.64 126.11 1xqq s THR 14 Ca 0.06 0.81 0.06 0.00 0.31 0.00 0.00 61.69 62.94 1xqq s THR 14 Cb -0.17 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1xqq s THR 14 CO 0.09 0.39 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.45 1xqq s LEU 15 N 0.29 2.12 -1.12 4.42 1.43 -0.33 -4.99 118.68 120.50 1xqq s LEU 15 Ca 0.23 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 15 Cb -0.15 -0.93 0.28 0.00 0.03 0.00 0.00 46.19 45.42 1xqq s LEU 15 CO 0.09 0.17 1.23 -0.62 0.23 0.00 0.00 176.35 177.45 1xqq n GLU 16 N 2.12 3.74 -4.08 1.70 1.02 -1.25 -1.20 120.64 122.69 1xqq n GLU 16 Ca -0.16 -4.42 -0.32 0.00 -0.02 0.00 0.00 57.16 52.24 1xqq n GLU 16 Cb 0.54 -2.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.31 1xqq n GLU 16 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xqq s VAL 17 N -1.40 4.64 0.34 2.62 -7.23 -0.65 -4.58 120.40 114.14 1xqq s VAL 17 Ca 0.32 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.73 1xqq s VAL 17 Cb -0.06 -3.18 -0.10 0.00 0.56 0.00 0.00 36.38 33.60 1xqq s VAL 17 CO -0.03 0.24 0.81 -1.61 -0.31 0.00 0.00 175.10 174.19 1xqq s GLU 18 N -2.07 4.13 0.00 4.82 0.41 -1.26 0.11 118.70 124.84 1xqq s GLU 18 Ca 0.26 0.85 0.27 0.00 -0.41 0.00 0.00 54.97 55.94 1xqq s GLU 18 Cb -0.12 -2.43 0.83 0.00 -1.78 0.00 0.00 34.13 30.63 1xqq s GLU 18 CO 0.18 0.14 1.62 -0.35 -0.49 0.00 0.00 175.26 176.35 1xqq n PRO 19 N -0.28 0.58 0.07 0.39 -0.04 -1.26 -2.81 135.00 131.64 1xqq n PRO 19 Ca 0.04 -0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.32 1xqq n PRO 19 Cb 0.53 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -0.95 0.67 -4.88 3.54 7.64 -1.26 -3.52 113.62 114.86 1xqq n SER 20 Ca 0.11 0.30 -0.30 0.00 1.01 0.00 0.00 58.87 59.99 1xqq n SER 20 Cb 0.33 -0.26 0.04 0.00 -1.01 0.00 0.00 64.21 63.31 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -4.15 5.60 0.60 6.43 2.15 -1.12 -4.62 116.67 121.55 1xqq s ASP 21 Ca 0.09 1.18 -0.13 0.00 0.43 0.00 0.00 52.55 54.12 1xqq s ASP 21 Cb 0.14 -2.03 -0.05 0.00 -0.30 0.00 0.00 42.92 40.68 1xqq s ASP 21 CO 0.66 -1.25 1.02 0.42 -0.17 0.00 0.00 175.17 175.85 1xqq s THR 22 N -3.32 4.56 0.07 1.71 -4.23 -1.26 -1.62 115.64 111.55 1xqq s THR 22 Ca 0.57 0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 61.97 1xqq s THR 22 Cb -0.11 -3.77 -0.30 0.00 1.34 0.00 0.00 72.50 69.67 1xqq s THR 22 CO 0.52 -0.97 1.11 0.40 -0.54 0.00 0.00 174.62 175.15 1xqq h ILE 23 N 0.03 1.43 -0.85 2.99 2.04 -1.15 -2.06 117.51 119.94 1xqq h ILE 23 Ca -0.45 -2.92 0.22 0.00 1.00 0.00 0.00 64.86 62.71 1xqq h ILE 23 Cb 1.19 2.93 -0.14 0.00 -0.74 0.00 0.00 36.82 40.06 1xqq h ILE 23 CO 0.61 0.86 0.13 -0.08 0.00 0.00 0.00 178.15 179.67 1xqq h GLU 24 N 0.11 0.14 0.00 2.37 4.81 -1.28 -1.42 114.58 119.31 1xqq h GLU 24 Ca -0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 2.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.35 1xqq h GLU 24 CO 0.22 0.09 0.00 0.09 -0.73 0.00 0.00 179.01 178.69 1xqq n ASN 25 N -5.30 0.72 -0.01 1.04 3.02 -1.01 -1.15 115.26 112.57 1xqq n ASN 25 Ca 0.19 0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 55.21 1xqq n ASN 25 Cb 0.62 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 0.00 1.13 -0.19 2.41 2.07 -0.60 -3.05 116.25 118.02 1xqq h VAL 26 Ca 0.00 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1xqq h VAL 26 Cb 0.65 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1xqq h VAL 26 CO 0.00 0.11 -0.07 0.11 0.02 0.00 0.00 177.57 177.74 1xqq h LYS 27 N 0.00 0.29 0.00 1.57 1.57 -0.82 -2.41 116.57 116.78 1xqq h LYS 27 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xqq h LYS 27 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xqq h LYS 27 CO -0.00 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 1xqq n ALA 28 N -2.49 1.82 0.11 3.86 0.00 -0.30 -1.16 120.51 122.35 1xqq n ALA 28 Ca -0.00 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 28 Cb 0.24 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 1xqq n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xqq h LYS 29 N 0.00 0.38 0.00 0.00 1.57 -1.32 -3.13 116.57 114.06 1xqq h LYS 29 Ca 0.00 -0.58 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 1xqq h LYS 29 Cb 0.42 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xqq h LYS 29 CO 0.00 1.26 -0.30 0.82 -0.57 0.00 0.00 179.45 180.65 1xqq h ILE 30 N 0.13 0.85 -0.65 1.86 2.04 -1.29 0.30 117.51 120.75 1xqq h ILE 30 Ca -0.15 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1xqq h ILE 30 Cb 1.94 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.74 1xqq h ILE 30 CO 0.21 0.30 0.07 -0.61 0.00 0.00 0.00 178.15 178.12 1xqq h GLN 31 N 0.00 1.10 -0.12 2.37 4.15 -1.23 -0.31 115.11 121.07 1xqq h GLN 31 Ca -0.00 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.04 1xqq h GLN 31 Cb 0.72 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1xqq h GLN 31 CO 0.04 1.02 -0.19 0.22 -1.93 0.00 0.00 178.83 177.99 1xqq h ASP 32 N 1.02 0.37 0.05 -0.69 3.58 -1.27 -3.23 116.42 116.25 1xqq h ASP 32 Ca 0.19 -0.54 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1xqq h ASP 32 Cb 0.48 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1xqq h ASP 32 CO 0.02 0.84 -0.02 0.50 -2.88 0.00 0.00 179.24 177.69 1xqq h LYS 33 N -0.08 -0.06 0.00 0.28 3.64 -0.28 -3.37 116.57 116.69 1xqq h LYS 33 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1xqq h LYS 33 Cb 0.76 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1xqq h LYS 33 CO 0.04 -0.04 -1.44 0.39 -2.27 0.00 0.00 179.45 176.13 1xqq n GLU 34 N -2.82 0.63 -1.41 1.90 -0.58 -0.22 -4.97 120.64 113.17 1xqq n GLU 34 Ca -0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1xqq n GLU 34 Cb 0.02 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 1.23 0.97 3.46 0.62 0.00 -0.64 -5.03 105.19 105.81 1xqq n GLY 35 Ca -0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.30 3.59 0.40 -0.61 1.01 -1.22 -4.96 121.20 117.09 1xqq s ILE 36 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1xqq s ILE 36 Cb 0.00 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 1xqq s ILE 36 CO 0.00 0.51 0.79 -2.16 0.00 0.00 0.00 174.94 174.08 1xqq s PRO 37 N 0.28 3.87 0.24 2.79 0.04 -1.26 -3.76 135.00 137.20 1xqq s PRO 37 Ca -0.06 0.60 0.24 0.00 0.04 0.00 0.00 61.00 61.82 1xqq s PRO 37 Cb -0.15 -2.36 0.95 0.00 0.04 0.00 0.00 34.50 32.98 1xqq s PRO 37 CO 0.04 -0.01 1.71 -0.35 0.04 0.00 0.00 177.00 178.43 1xqq n PRO 38 N -1.05 0.19 -0.07 0.56 -0.04 -1.26 -0.77 135.00 132.56 1xqq n PRO 38 Ca 0.03 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1xqq n PRO 38 Cb 0.54 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.00 0.91 1.23 3.54 2.03 -1.99 -3.31 116.42 118.83 1xqq h ASP 39 Ca 0.00 -0.46 -0.12 0.00 -0.73 0.00 0.00 57.03 55.72 1xqq h ASP 39 Cb 0.40 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1xqq h ASP 39 CO 0.00 1.24 -0.57 -0.61 -1.03 0.00 0.00 179.24 178.27 1xqq h GLN 40 N 0.65 0.00 -6.22 4.15 4.15 -1.30 -3.45 115.11 113.09 1xqq h GLN 40 Ca 0.03 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.89 1xqq h GLN 40 Cb 1.08 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 1xqq h GLN 40 CO 0.11 0.57 0.99 -0.65 -1.93 0.00 0.00 178.83 177.92 1xqq s GLN 41 N -3.08 4.14 -0.25 1.69 -0.21 -0.98 -1.40 119.66 119.56 1xqq s GLN 41 Ca 0.02 1.78 -0.09 0.00 0.02 0.00 0.00 55.36 57.10 1xqq s GLN 41 Cb 0.09 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 1xqq s GLN 41 CO 0.75 -0.86 0.12 0.50 -2.12 0.00 0.00 175.29 173.68 1xqq s ARG 42 N 3.86 3.84 -0.23 2.91 3.52 -0.40 -4.95 118.95 127.50 1xqq s ARG 42 Ca 0.62 -0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.77 1xqq s ARG 42 Cb -0.25 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1xqq s ARG 42 CO 0.21 -0.12 0.05 -0.51 -0.81 0.00 0.00 175.30 174.13 1xqq s LEU 43 N 1.50 3.48 -0.24 -0.88 1.43 -1.26 -2.18 118.68 120.52 1xqq s LEU 43 Ca 0.06 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1xqq s LEU 43 Cb -0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1xqq s LEU 43 CO 0.06 0.03 -0.08 -0.63 0.23 0.00 0.00 176.35 175.96 1xqq s ILE 44 N 1.23 1.80 -0.30 -0.59 1.01 -1.03 -2.18 121.20 121.15 1xqq s ILE 44 Ca 0.04 -1.38 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 1xqq s ILE 44 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1xqq s ILE 44 CO 0.03 -0.05 0.43 0.12 0.00 0.00 0.00 174.94 175.47 1xqq s PHE 45 N 1.27 3.23 0.00 3.97 5.36 -1.16 -0.28 117.98 130.37 1xqq s PHE 45 Ca -0.07 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1xqq s PHE 45 Cb -0.19 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.78 1xqq s PHE 45 CO -0.06 -0.35 0.00 0.00 -1.46 0.00 0.00 175.22 173.35 1xqq n ALA 46 N 5.49 0.00 -2.34 11.12 0.00 -1.26 -0.54 120.51 132.98 1xqq n ALA 46 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 0.91 3.88 0.00 0.00 -1.26 -4.96 105.19 103.76 1xqq n GLY 47 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.23 3.50 -0.48 1.61 1.02 0.30 -5.06 119.74 120.40 1xqq s LYS 48 Ca 0.20 -0.13 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 1xqq s LYS 48 Cb 0.24 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1xqq s LYS 48 CO -0.10 0.73 0.82 -1.14 -0.92 0.00 0.00 175.35 174.74 1xqq s GLN 49 N -1.35 3.38 -0.16 1.68 0.74 -1.26 -3.01 119.66 119.67 1xqq s GLN 49 Ca 0.20 -0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.15 1xqq s GLN 49 Cb -0.13 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 29.98 1xqq s GLN 49 CO 0.10 -1.22 1.47 -0.51 -0.55 0.00 0.00 175.29 174.58 1xqq s LEU 50 N 3.43 4.12 -0.28 3.68 1.43 -0.93 -4.97 118.68 125.17 1xqq s LEU 50 Ca 0.30 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 1xqq s LEU 50 Cb -0.12 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 1xqq s LEU 50 CO 0.21 -0.96 1.38 -0.70 0.23 0.00 0.00 176.35 176.51 1xqq s GLU 51 N 4.01 3.88 0.34 1.70 2.12 -1.26 -4.90 118.70 124.60 1xqq s GLU 51 Ca 0.64 1.35 0.05 0.00 0.36 0.00 0.00 54.97 57.37 1xqq s GLU 51 Cb -0.25 -3.92 0.63 0.00 0.26 0.00 0.00 34.13 30.84 1xqq s GLU 51 CO 0.23 -1.17 1.87 -0.44 -0.54 0.00 0.00 175.26 175.22 1xqq h ASP 52 N 9.66 0.43 -0.36 -1.70 5.19 -1.93 -2.38 116.42 125.32 1xqq h ASP 52 Ca -0.28 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1xqq h ASP 52 Cb 1.11 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1xqq h ASP 52 CO 1.03 0.54 0.00 0.61 -3.12 0.00 0.00 179.24 178.29 1xqq n GLY 53 N -0.83 1.70 4.01 2.75 0.00 -1.26 -0.91 105.19 110.64 1xqq n GLY 53 Ca 0.01 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.74 2.73 0.53 1.61 0.52 -0.90 -5.00 118.95 116.69 1xqq s ARG 54 Ca 0.29 -1.24 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 1xqq s ARG 54 Cb 0.19 -2.72 0.08 0.00 0.52 0.00 0.00 34.95 33.02 1xqq s ARG 54 CO 0.13 -0.39 0.64 0.25 0.02 0.00 0.00 175.30 175.95 1xqq n THR 55 N -1.95 0.00 0.39 0.02 -2.24 -1.26 -2.07 114.28 107.17 1xqq n THR 55 Ca 0.09 -1.84 0.12 0.00 -2.27 0.00 0.00 64.05 60.15 1xqq n THR 55 Cb 0.59 -0.42 0.26 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.31 3.22 3.38 -1.48 -3.17 115.31 116.95 1xqq h LEU 56 Ca -0.27 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1xqq h LEU 56 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xqq h LEU 56 CO 0.40 0.00 -0.27 -1.28 0.09 0.00 0.00 178.44 177.38 1xqq h SER 57 N 0.00 0.78 -0.62 -0.43 0.87 -1.83 -1.63 113.55 110.69 1xqq h SER 57 Ca 0.00 -0.46 0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1xqq h SER 57 Cb 0.89 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.56 1xqq h SER 57 CO 0.00 1.07 0.27 0.44 -0.53 0.00 0.00 176.83 178.08 1xqq h ASP 58 N 0.49 0.32 -0.05 6.23 3.32 -1.92 -2.59 116.42 122.23 1xqq h ASP 58 Ca 0.05 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xqq h ASP 58 Cb 0.84 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1xqq h ASP 58 CO 0.07 0.19 0.00 -1.22 -1.72 0.00 0.00 179.24 176.56 1xqq n TYR 59 N -4.94 0.04 -3.84 4.55 4.01 -1.22 -4.93 117.16 110.83 1xqq n TYR 59 Ca 0.09 -0.02 -0.25 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.50 -1.17 -4.52 7.72 3.02 -0.98 -4.97 115.26 114.86 1xqq n ASN 60 Ca 0.18 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.37 1xqq n ASN 60 Cb 0.42 -3.41 -0.10 0.00 -0.61 0.00 0.00 39.78 36.08 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 -3.81 5.21 0.19 2.41 1.01 -0.63 -5.03 121.20 120.55 1xqq s ILE 61 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1xqq s ILE 61 Cb -0.02 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1xqq s ILE 61 CO 0.86 -0.12 0.26 0.00 0.00 0.00 0.00 174.94 175.95 1xqq n GLN 62 N 5.29 0.84 -2.28 2.79 6.02 -1.26 -4.76 117.38 124.03 1xqq n GLN 62 Ca -0.10 -1.01 -0.36 0.00 -0.01 0.00 0.00 57.00 55.52 1xqq n GLN 62 Cb 0.49 -0.09 -0.01 0.00 1.02 0.00 0.00 30.24 31.66 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 -2.88 3.67 -0.65 -1.09 -2.85 -1.26 -3.37 119.74 111.31 1xqq s LYS 63 Ca 0.20 1.71 0.00 0.00 -1.00 0.00 0.00 55.97 56.88 1xqq s LYS 63 Cb -0.02 -2.30 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 1xqq s LYS 63 CO 0.13 -0.61 0.00 0.39 0.10 0.00 0.00 175.35 175.36 1xqq n GLU 64 N -0.69 -0.75 -2.91 1.78 1.02 0.46 -4.99 120.64 114.56 1xqq n GLU 64 Ca 0.08 0.62 -0.40 0.00 -0.02 0.00 0.00 57.16 57.44 1xqq n GLU 64 Cb 0.49 -4.44 -0.05 0.00 -0.02 0.00 0.00 31.44 27.41 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 -2.58 7.37 -0.12 1.62 0.01 -1.22 -4.72 113.70 114.06 1xqq s SER 65 Ca 0.00 1.62 -0.17 0.00 1.31 0.00 0.00 55.95 58.71 1xqq s SER 65 Cb 0.00 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1xqq s SER 65 CO 0.00 0.07 0.44 -0.89 0.41 0.00 0.00 173.24 173.27 1xqq s THR 66 N -0.49 5.21 0.45 1.44 2.01 -1.26 -2.66 115.64 120.35 1xqq s THR 66 Ca 0.40 0.86 0.08 0.00 0.31 0.00 0.00 61.69 63.34 1xqq s THR 66 Cb -0.22 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1xqq s THR 66 CO 0.26 0.35 0.47 -0.76 -0.69 0.00 0.00 174.62 174.25 1xqq s LEU 67 N 0.51 3.33 0.02 4.42 1.02 -0.71 -4.60 118.68 122.67 1xqq s LEU 67 Ca 0.24 -0.75 0.04 0.00 0.02 0.00 0.00 54.13 53.68 1xqq s LEU 67 Cb -0.15 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 1xqq s LEU 67 CO 0.09 -0.81 -0.09 -1.00 0.02 0.00 0.00 176.35 174.56 1xqq s HIS 68 N -2.51 2.82 -0.08 0.29 3.76 0.62 -1.19 115.29 119.01 1xqq s HIS 68 Ca 0.49 -0.09 0.05 0.00 -0.15 0.00 0.00 55.06 55.37 1xqq s HIS 68 Cb -0.05 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 1xqq s HIS 68 CO 0.29 0.36 -0.24 -1.17 -0.85 0.00 0.00 174.74 173.13 1xqq s LEU 69 N -1.53 2.07 -0.08 0.89 2.96 -0.01 -2.46 118.68 120.52 1xqq s LEU 69 Ca 0.17 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1xqq s LEU 69 Cb -0.11 -1.38 0.04 0.00 0.50 0.00 0.00 46.19 45.24 1xqq s LEU 69 CO 0.08 0.21 0.18 -0.69 -1.32 0.00 0.00 176.35 174.81 1xqq s VAL 70 N 0.06 -0.04 -0.23 1.68 1.01 -0.93 -3.86 120.40 118.09 1xqq s VAL 70 Ca -0.10 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1xqq s VAL 70 Cb -0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1xqq s VAL 70 CO 0.06 0.06 1.42 -0.76 0.00 0.00 0.00 175.10 175.88 1xqq s LEU 71 N 1.09 3.97 0.58 3.92 1.43 -1.26 -1.28 118.68 127.13 1xqq s LEU 71 Ca -0.08 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1xqq s LEU 71 Cb -0.10 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1xqq s LEU 71 CO -0.06 -1.06 0.83 0.00 0.23 0.00 0.00 176.35 176.29 1xqq s ARG 72 N 4.19 2.55 0.18 1.70 1.70 -0.49 -4.97 118.95 123.80 1xqq s ARG 72 Ca 0.62 -0.56 -0.04 0.00 -0.47 0.00 0.00 55.73 55.27 1xqq s ARG 72 Cb -0.21 -2.40 -0.05 0.00 -0.57 0.00 0.00 34.95 31.71 1xqq s ARG 72 CO 0.24 -0.79 0.42 -0.51 -1.08 0.00 0.00 175.30 173.58 1xqq s LEU 73 N -4.87 4.22 0.29 -1.89 1.43 -1.26 -4.91 118.68 111.69 1xqq s LEU 73 Ca 0.57 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1xqq s LEU 73 Cb -0.10 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1xqq s LEU 73 CO 0.40 -0.01 0.17 -0.13 0.23 0.00 0.00 176.35 177.01 1xqq s ARG 74 N -2.91 2.64 0.00 1.70 0.52 -1.26 -4.97 118.95 114.67 1xqq s ARG 74 Ca 0.42 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1xqq s ARG 74 Cb -0.12 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1xqq s ARG 74 CO 0.26 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.26 1xqq n GLY 75 N -1.16 0.04 0.00 -3.53 0.00 -1.26 -5.27 105.19 94.01 1xqq n GLY 75 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93