#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 3.89 0.00 3.17 -0.21 -1.26 -1.28 119.66 123.98 1xqq s GLN 2 Ca 0.00 0.40 0.01 0.00 0.02 0.00 0.00 55.36 55.79 1xqq s GLN 2 Cb 0.00 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 1xqq s GLN 2 CO 0.00 0.35 -0.04 0.96 -2.12 0.00 0.00 175.29 174.44 1xqq s ILE 3 N -1.72 0.30 -0.01 1.08 -4.36 -0.30 -0.18 121.20 116.02 1xqq s ILE 3 Ca 0.45 -0.29 -0.08 0.00 -0.26 0.00 0.00 60.65 60.47 1xqq s ILE 3 Cb -0.12 -0.28 -0.05 0.00 1.25 0.00 0.00 42.46 43.26 1xqq s ILE 3 CO 0.20 -0.00 0.28 -0.36 0.24 0.00 0.00 174.94 175.30 1xqq s PHE 4 N -0.30 3.61 -0.20 1.37 0.08 0.17 -0.86 117.98 121.85 1xqq s PHE 4 Ca -0.01 0.65 -0.01 0.00 0.12 0.00 0.00 56.93 57.69 1xqq s PHE 4 Cb -0.03 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1xqq s PHE 4 CO -0.00 0.63 -0.03 0.08 -0.10 0.00 0.00 175.22 175.80 1xqq s VAL 5 N -1.22 1.15 -0.15 -0.44 1.01 0.16 -1.19 120.40 119.72 1xqq s VAL 5 Ca 0.25 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1xqq s VAL 5 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1xqq s VAL 5 CO 0.14 -0.03 -0.04 -0.75 0.00 0.00 0.00 175.10 174.41 1xqq s LYS 6 N 1.58 3.61 0.63 2.72 2.20 -0.69 -0.47 119.74 129.32 1xqq s LYS 6 Ca -0.02 -0.52 -0.09 0.00 -0.36 0.00 0.00 55.97 54.97 1xqq s LYS 6 Cb -0.17 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1xqq s LYS 6 CO -0.07 0.27 1.00 0.95 -0.36 0.00 0.00 175.35 177.14 1xqq s THR 7 N 0.27 4.09 0.28 3.43 -4.23 -0.99 -1.08 115.64 117.42 1xqq s THR 7 Ca -0.03 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1xqq s THR 7 Cb -0.14 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.32 1xqq s THR 7 CO 0.03 -0.79 1.94 -0.07 -0.54 0.00 0.00 174.62 175.18 1xqq h LEU 8 N -0.35 1.02 0.64 4.79 3.38 -1.92 -3.30 115.31 119.56 1xqq h LEU 8 Ca -0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1xqq h LEU 8 Cb 1.23 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1xqq h LEU 8 CO 0.62 0.71 -0.31 0.71 0.09 0.00 0.00 178.44 180.27 1xqq h THR 9 N 1.19 0.17 0.00 0.22 1.35 -1.93 -3.48 112.91 110.42 1xqq h THR 9 Ca 0.36 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1xqq h THR 9 Cb -0.04 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 1xqq h THR 9 CO -0.10 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 1xqq n GLY 10 N -0.66 -0.53 3.04 5.82 0.00 -1.24 -5.14 105.19 106.47 1xqq n GLY 10 Ca -0.12 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 1.30 -0.24 1.61 2.20 -1.26 -4.98 119.74 118.37 1xqq s LYS 11 Ca 0.00 -0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1xqq s LYS 11 Cb 0.00 -1.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.12 1xqq s LYS 11 CO 0.00 0.14 0.07 0.99 -0.36 0.00 0.00 175.35 176.19 1xqq s THR 12 N 0.22 4.41 0.01 3.43 2.01 -1.26 -2.34 115.64 122.12 1xqq s THR 12 Ca -0.05 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1xqq s THR 12 Cb -0.11 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1xqq s THR 12 CO 0.01 0.35 -0.07 0.27 -0.69 0.00 0.00 174.62 174.49 1xqq s ILE 13 N 1.46 3.60 -0.22 1.82 -4.36 0.38 -4.90 121.20 118.98 1xqq s ILE 13 Ca 0.06 -0.83 -0.06 0.00 -0.26 0.00 0.00 60.65 59.55 1xqq s ILE 13 Cb -0.15 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1xqq s ILE 13 CO 0.04 0.36 0.03 -0.89 0.24 0.00 0.00 174.94 174.72 1xqq s THR 14 N -1.02 4.13 0.32 8.37 2.01 -1.26 0.38 115.64 128.57 1xqq s THR 14 Ca 0.17 -0.25 0.11 0.00 0.31 0.00 0.00 61.69 62.04 1xqq s THR 14 Cb -0.11 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.45 1xqq s THR 14 CO 0.08 0.40 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.51 1xqq s LEU 15 N 1.21 2.67 -0.14 4.42 1.43 -0.04 -4.95 118.68 123.27 1xqq s LEU 15 Ca 0.04 -1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 51.97 1xqq s LEU 15 Cb -0.14 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1xqq s LEU 15 CO 0.02 -0.10 0.01 -0.70 0.23 0.00 0.00 176.35 175.82 1xqq s GLU 16 N -3.57 3.55 0.13 1.70 2.12 -1.26 -1.15 118.70 120.22 1xqq s GLU 16 Ca 0.31 -0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.13 1xqq s GLU 16 Cb -0.01 -2.98 -0.00 0.00 0.26 0.00 0.00 34.13 31.40 1xqq s GLU 16 CO 0.16 0.41 0.25 0.14 -0.54 0.00 0.00 175.26 175.69 1xqq s VAL 17 N -0.07 0.10 0.77 3.70 -7.23 -0.40 -4.96 120.40 112.31 1xqq s VAL 17 Ca 0.04 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 1xqq s VAL 17 Cb -0.13 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.36 1xqq s VAL 17 CO 0.02 -0.47 1.12 -1.61 -0.31 0.00 0.00 175.10 173.85 1xqq s GLU 18 N -3.90 1.99 0.44 4.82 0.41 -1.26 0.53 118.70 121.73 1xqq s GLU 18 Ca 0.10 -0.07 0.23 0.00 -0.41 0.00 0.00 54.97 54.82 1xqq s GLU 18 Cb 0.04 -2.03 0.98 0.00 -1.78 0.00 0.00 34.13 31.34 1xqq s GLU 18 CO -0.06 -1.49 1.86 -1.35 -0.49 0.00 0.00 175.26 173.73 1xqq h PRO 19 N -0.90 0.00 0.00 0.39 0.11 -1.94 -3.11 132.00 126.54 1xqq h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1xqq h PRO 19 CO 0.62 0.24 0.00 0.43 -0.21 0.00 0.00 178.00 179.09 1xqq n SER 20 N -3.52 0.00 -4.78 -2.05 7.64 -1.26 -1.80 113.62 107.85 1xqq n SER 20 Ca -0.01 -1.69 -0.22 0.00 1.01 0.00 0.00 58.87 57.96 1xqq n SER 20 Cb 0.40 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -1.24 5.13 0.46 6.43 1.01 -1.18 -4.95 116.67 122.33 1xqq s ASP 21 Ca 0.08 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.86 1xqq s ASP 21 Cb 0.04 -1.08 -0.01 0.00 1.01 0.00 0.00 42.92 42.89 1xqq s ASP 21 CO 0.06 -0.15 0.69 0.42 0.21 0.00 0.00 175.17 176.41 1xqq s THR 22 N -2.26 4.14 0.23 -1.27 -4.23 -1.26 -2.86 115.64 108.13 1xqq s THR 22 Ca 0.35 -0.39 0.24 0.00 -1.18 0.00 0.00 61.69 60.71 1xqq s THR 22 Cb -0.06 -3.54 0.23 0.00 1.34 0.00 0.00 72.50 70.47 1xqq s THR 22 CO 0.24 -0.41 1.89 0.40 -0.54 0.00 0.00 174.62 176.20 1xqq h ILE 23 N 0.36 0.62 -0.40 2.99 1.08 -0.95 -0.12 117.51 121.09 1xqq h ILE 23 Ca -0.46 -1.01 0.07 0.00 -0.39 0.00 0.00 64.86 63.07 1xqq h ILE 23 Cb 1.25 1.66 -0.06 0.00 -3.07 0.00 0.00 36.82 36.59 1xqq h ILE 23 CO 0.58 0.22 0.01 -0.08 -0.69 0.00 0.00 178.15 178.19 1xqq h GLU 24 N 0.00 0.11 -0.06 2.37 4.81 -1.39 -0.59 114.58 119.83 1xqq h GLU 24 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1xqq h GLU 24 Cb 0.64 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1xqq h GLU 24 CO 0.03 0.07 -0.11 -0.97 -0.73 0.00 0.00 179.01 177.30 1xqq h ASN 25 N 0.12 0.08 -0.04 1.04 -0.73 -1.56 -1.73 115.58 112.76 1xqq h ASN 25 Ca 0.20 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1xqq h ASN 25 Cb 0.28 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 1xqq h ASN 25 CO -0.32 0.21 0.00 0.58 -0.37 0.00 0.00 177.43 177.53 1xqq h VAL 26 N 0.09 1.23 -0.14 2.57 2.07 -0.74 -2.47 116.25 118.86 1xqq h VAL 26 Ca 0.02 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1xqq h VAL 26 Cb 0.26 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xqq h VAL 26 CO 0.02 0.19 -0.00 0.11 0.02 0.00 0.00 177.57 177.90 1xqq h LYS 27 N -0.21 0.19 -0.28 1.57 1.57 -0.90 0.35 116.57 118.88 1xqq h LYS 27 Ca 0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1xqq h LYS 27 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 27 CO 0.00 0.22 -0.27 0.00 -0.57 0.00 0.00 179.45 178.83 1xqq h ALA 28 N 1.81 1.02 0.00 3.86 0.00 -1.37 -2.30 119.26 122.28 1xqq h ALA 28 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xqq h ALA 28 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xqq h ALA 28 CO 0.00 0.59 -0.10 0.87 0.00 0.00 0.00 179.25 180.61 1xqq h LYS 29 N 0.48 0.00 -0.17 0.00 1.57 0.15 -0.60 116.57 118.00 1xqq h LYS 29 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 29 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1xqq h LYS 29 CO 0.05 0.10 -0.14 0.82 -0.57 0.00 0.00 179.45 179.71 1xqq h ILE 30 N 0.00 1.33 -1.00 1.86 2.04 -1.23 0.11 117.51 120.62 1xqq h ILE 30 Ca -0.00 -1.28 0.22 0.00 1.00 0.00 0.00 64.86 64.80 1xqq h ILE 30 Cb 0.86 1.79 -0.12 0.00 -0.74 0.00 0.00 36.82 38.62 1xqq h ILE 30 CO 0.01 0.38 0.60 -0.61 0.00 0.00 0.00 178.15 178.54 1xqq h GLN 31 N 0.05 0.65 0.19 2.37 4.15 -0.91 -1.46 115.11 120.15 1xqq h GLN 31 Ca 0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1xqq h GLN 31 Cb 0.67 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1xqq h GLN 31 CO 0.04 0.43 -0.09 0.22 -1.93 0.00 0.00 178.83 177.50 1xqq h ASP 32 N 0.67 -0.21 1.21 -0.69 3.58 -1.01 -3.21 116.42 116.75 1xqq h ASP 32 Ca 0.62 0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.91 1xqq h ASP 32 Cb 1.08 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 1xqq h ASP 32 CO -0.43 0.05 -0.80 0.50 -2.88 0.00 0.00 179.24 175.68 1xqq h LYS 33 N -0.65 0.00 0.00 0.28 3.64 -0.70 -3.37 116.57 115.77 1xqq h LYS 33 Ca -0.03 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1xqq h LYS 33 Cb 0.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1xqq h LYS 33 CO 0.04 0.72 -1.38 -1.91 -2.27 0.00 0.00 179.45 174.66 1xqq n GLU 34 N -3.27 0.45 0.00 1.90 4.07 -0.63 -5.06 120.64 118.10 1xqq n GLU 34 Ca 0.00 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1xqq n GLU 34 Cb 0.84 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.95 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xqq n GLY 35 N 1.75 1.97 3.79 8.31 0.00 -0.74 -5.04 105.19 115.23 1xqq n GLY 35 Ca -0.24 0.00 -0.37 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 -2.00 5.18 0.75 -0.61 1.01 -1.24 -4.95 121.20 119.33 1xqq s ILE 36 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.25 1xqq s ILE 36 Cb 0.00 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1xqq s ILE 36 CO 0.00 0.48 1.12 -2.84 0.00 0.00 0.00 174.94 173.70 1xqq s PRO 37 N -0.32 2.26 0.04 2.79 0.02 -1.26 -3.68 135.00 134.86 1xqq s PRO 37 Ca 0.21 1.38 0.26 0.00 0.02 0.00 0.00 61.00 62.88 1xqq s PRO 37 Cb -0.15 -1.88 0.79 0.00 0.02 0.00 0.00 34.50 33.28 1xqq s PRO 37 CO 0.09 -1.67 1.64 -0.35 -0.33 0.00 0.00 177.00 176.38 1xqq n PRO 38 N -3.11 0.08 -0.02 5.54 -0.04 -1.26 -3.56 135.00 132.62 1xqq n PRO 38 Ca 0.11 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 1xqq n PRO 38 Cb 0.52 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1xqq n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xqq h ASP 39 N 0.00 0.62 0.00 3.54 3.58 -1.97 -3.31 116.42 118.89 1xqq h ASP 39 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1xqq h ASP 39 Cb 0.57 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1xqq h ASP 39 CO 0.00 1.19 0.00 1.67 -2.88 0.00 0.00 179.24 179.22 1xqq n GLN 40 N -4.21 0.61 -4.84 0.28 7.27 -1.23 -4.83 117.38 110.42 1xqq n GLN 40 Ca -0.08 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.66 1xqq n GLN 40 Cb 0.62 -1.06 -0.16 0.00 2.41 0.00 0.00 30.24 32.05 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 -1.80 3.21 -0.06 3.69 -0.21 -1.25 -0.30 119.66 122.95 1xqq s GLN 41 Ca 0.00 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 54.63 1xqq s GLN 41 Cb 0.00 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.51 1xqq s GLN 41 CO 0.00 0.13 -0.12 0.50 -2.12 0.00 0.00 175.29 173.69 1xqq s ARG 42 N 0.50 1.64 -0.04 2.91 6.06 -0.09 -4.98 118.95 124.95 1xqq s ARG 42 Ca -0.12 -0.39 -0.03 0.00 -2.50 0.00 0.00 55.73 52.69 1xqq s ARG 42 Cb -0.16 -1.36 -0.04 0.00 0.06 0.00 0.00 34.95 33.45 1xqq s ARG 42 CO 0.05 0.02 0.11 -0.51 -2.50 0.00 0.00 175.30 172.47 1xqq s LEU 43 N 0.67 4.10 -0.09 -0.88 1.43 -1.26 -0.06 118.68 122.58 1xqq s LEU 43 Ca -0.14 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1xqq s LEU 43 Cb -0.16 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1xqq s LEU 43 CO 0.03 0.32 -0.17 -0.63 0.23 0.00 0.00 176.35 176.14 1xqq s ILE 44 N -1.15 1.55 -0.34 -0.59 1.01 -0.63 -2.03 121.20 119.02 1xqq s ILE 44 Ca 0.21 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1xqq s ILE 44 Cb -0.12 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 41.02 1xqq s ILE 44 CO 0.11 0.45 0.08 0.12 0.00 0.00 0.00 174.94 175.70 1xqq s PHE 45 N 0.72 3.33 0.00 3.97 5.36 0.10 -1.22 117.98 130.24 1xqq s PHE 45 Ca -0.12 -1.84 0.00 0.00 -0.96 0.00 0.00 56.93 54.01 1xqq s PHE 45 Cb -0.16 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 1xqq s PHE 45 CO 0.03 -0.82 0.00 0.00 -1.46 0.00 0.00 175.22 172.97 1xqq n ALA 46 N 4.68 0.00 -0.35 11.12 0.00 -1.26 -1.32 120.51 133.38 1xqq n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.23 3.60 0.00 0.00 -1.26 -5.08 105.19 102.68 1xqq n GLY 47 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.36 2.15 0.39 1.61 1.02 -0.44 -5.13 119.74 118.98 1xqq s LYS 48 Ca 0.00 -1.34 -0.15 0.00 0.02 0.00 0.00 55.97 54.49 1xqq s LYS 48 Cb 0.00 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1xqq s LYS 48 CO 0.00 0.40 0.81 -0.65 -0.92 0.00 0.00 175.35 175.00 1xqq s GLN 49 N -3.20 3.98 -0.16 1.68 -0.21 -1.26 0.03 119.66 120.51 1xqq s GLN 49 Ca 0.28 0.73 -0.03 0.00 0.02 0.00 0.00 55.36 56.36 1xqq s GLN 49 Cb -0.08 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 1xqq s GLN 49 CO 0.17 0.02 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.80 1xqq s LEU 50 N -3.38 3.11 0.46 2.90 1.43 -0.86 -4.87 118.68 117.47 1xqq s LEU 50 Ca 0.55 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1xqq s LEU 50 Cb -0.10 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1xqq s LEU 50 CO 0.22 0.14 0.69 -1.61 0.23 0.00 0.00 176.35 176.02 1xqq s GLU 51 N 0.54 3.14 0.03 1.70 2.02 -1.26 -4.72 118.70 120.15 1xqq s GLU 51 Ca -0.04 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 1xqq s GLU 51 Cb -0.15 -2.53 -0.16 0.00 0.10 0.00 0.00 34.13 31.40 1xqq s GLU 51 CO 0.03 -0.26 1.26 -0.44 0.02 0.00 0.00 175.26 175.87 1xqq h ASP 52 N 0.37 -0.86 0.00 -0.19 3.32 -1.99 -3.33 116.42 113.74 1xqq h ASP 52 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1xqq h ASP 52 Cb 1.25 0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1xqq h ASP 52 CO 0.58 -0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 1xqq n GLY 53 N -1.05 0.38 3.92 2.75 0.00 -1.26 -1.15 105.19 108.78 1xqq n GLY 53 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.44 3.31 0.48 1.61 1.81 -1.25 -4.96 118.95 118.51 1xqq s ARG 54 Ca 0.00 -0.73 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1xqq s ARG 54 Cb 0.00 -2.86 0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1xqq s ARG 54 CO 0.00 0.48 0.69 0.95 -0.68 0.00 0.00 175.30 176.74 1xqq s THR 55 N -1.85 3.33 0.31 0.02 -4.23 -1.26 -1.68 115.64 110.28 1xqq s THR 55 Ca 0.34 -0.65 0.22 0.00 -1.18 0.00 0.00 61.69 60.41 1xqq s THR 55 Cb -0.10 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1xqq s THR 55 CO 0.27 -0.14 1.91 -0.07 -0.54 0.00 0.00 174.62 176.05 1xqq h LEU 56 N 0.31 0.00 -0.18 4.79 4.07 -1.54 -3.10 115.31 119.66 1xqq h LEU 56 Ca -0.44 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.39 1xqq h LEU 56 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1xqq h LEU 56 CO 0.54 0.24 -0.39 -1.28 -1.08 0.00 0.00 178.44 176.46 1xqq h SER 57 N 0.00 0.66 -0.55 -0.43 0.87 -1.64 -1.41 113.55 111.06 1xqq h SER 57 Ca -0.00 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1xqq h SER 57 Cb 0.58 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1xqq h SER 57 CO 0.03 1.10 0.35 0.44 -0.53 0.00 0.00 176.83 178.21 1xqq h ASP 58 N 0.25 0.58 1.16 6.23 3.32 -1.85 -2.77 116.42 123.35 1xqq h ASP 58 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 58 Cb 1.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1xqq h ASP 58 CO 0.09 0.41 0.00 -1.22 -1.72 0.00 0.00 179.24 176.80 1xqq n TYR 59 N -4.74 0.32 -2.40 4.55 4.01 -1.20 -4.96 117.16 112.74 1xqq n TYR 59 Ca 0.04 0.09 -0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1xqq n TYR 59 Cb 0.05 -0.65 0.01 0.00 -0.31 0.00 0.00 39.34 38.44 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 -1.76 -2.48 -4.65 7.72 4.13 -0.69 -4.99 115.26 112.53 1xqq n ASN 60 Ca 0.06 -0.06 -0.43 0.00 1.68 0.00 0.00 54.58 55.84 1xqq n ASN 60 Cb 0.37 -1.46 -0.02 0.00 -1.54 0.00 0.00 39.78 37.13 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 -2.63 4.10 0.60 2.41 1.01 -0.62 -5.04 121.20 121.03 1xqq s ILE 61 Ca 0.06 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.01 1xqq s ILE 61 Cb -0.03 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1xqq s ILE 61 CO 0.08 -0.18 0.85 -1.10 0.00 0.00 0.00 174.94 174.58 1xqq s GLN 62 N 3.78 2.44 0.55 2.79 -0.21 -1.26 -4.73 119.66 123.01 1xqq s GLN 62 Ca 0.59 -0.61 -0.21 0.00 0.02 0.00 0.00 55.36 55.15 1xqq s GLN 62 Cb -0.23 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 1xqq s GLN 62 CO 0.19 -0.88 1.32 0.21 -2.12 0.00 0.00 175.29 174.02 1xqq s LYS 63 N -4.92 3.15 -1.09 2.91 2.20 -1.26 -3.52 119.74 117.21 1xqq s LYS 63 Ca 0.58 2.14 -0.02 0.00 -0.36 0.00 0.00 55.97 58.31 1xqq s LYS 63 Cb -0.10 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 1xqq s LYS 63 CO 0.40 -1.15 0.93 0.39 -0.36 0.00 0.00 175.35 175.56 1xqq n GLU 64 N -1.07 -6.18 -4.58 4.03 1.02 0.75 -5.00 120.64 109.61 1xqq n GLU 64 Ca 0.11 0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 57.65 1xqq n GLU 64 Cb 0.46 -5.46 -0.13 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.91 4.49 -0.45 1.62 0.15 -1.23 -4.76 113.70 109.61 1xqq s SER 65 Ca 0.16 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 1xqq s SER 65 Cb -0.07 -1.60 0.03 0.00 -1.71 0.00 0.00 66.02 62.67 1xqq s SER 65 CO 0.64 0.21 0.74 -0.89 1.20 0.00 0.00 173.24 175.13 1xqq s THR 66 N 0.13 4.71 0.26 6.45 2.01 -1.26 -0.66 115.64 127.28 1xqq s THR 66 Ca -0.03 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1xqq s THR 66 Cb -0.14 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.01 1xqq s THR 66 CO 0.04 -0.68 0.60 -0.76 -0.69 0.00 0.00 174.62 173.12 1xqq s LEU 67 N 3.13 4.12 -0.32 4.42 1.43 -0.34 -4.81 118.68 126.31 1xqq s LEU 67 Ca 0.27 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1xqq s LEU 67 Cb -0.13 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.34 1xqq s LEU 67 CO 0.21 -0.12 0.14 -1.00 0.23 0.00 0.00 176.35 175.81 1xqq s HIS 68 N -1.90 3.19 -0.25 0.29 3.76 -0.36 -1.70 115.29 118.32 1xqq s HIS 68 Ca 0.49 -0.89 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 1xqq s HIS 68 Cb -0.11 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1xqq s HIS 68 CO 0.22 -0.57 0.62 -1.17 -0.85 0.00 0.00 174.74 172.98 1xqq s LEU 69 N 1.54 4.06 0.00 0.89 2.96 -0.24 -1.61 118.68 126.28 1xqq s LEU 69 Ca 0.03 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1xqq s LEU 69 Cb -0.18 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 1xqq s LEU 69 CO 0.05 -0.36 0.07 -0.69 -1.32 0.00 0.00 176.35 174.10 1xqq s VAL 70 N 2.45 4.66 -0.03 1.68 1.01 0.91 -3.45 120.40 127.62 1xqq s VAL 70 Ca 0.26 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1xqq s VAL 70 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1xqq s VAL 70 CO 0.09 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.58 1xqq s LEU 71 N -1.75 1.98 0.27 3.92 1.43 -1.26 -0.92 118.68 122.35 1xqq s LEU 71 Ca 0.23 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 71 Cb -0.12 -1.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 1xqq s LEU 71 CO 0.14 0.20 0.76 -0.60 0.23 0.00 0.00 176.35 177.07 1xqq s ARG 72 N -0.19 4.21 0.00 1.70 3.52 0.59 -4.99 118.95 123.79 1xqq s ARG 72 Ca 0.01 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 1xqq s ARG 72 Cb -0.10 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1xqq s ARG 72 CO 0.01 0.29 0.00 -0.11 -0.81 0.00 0.00 175.30 174.68 1xqq n LEU 73 N 0.33 1.35 -0.10 -0.88 7.94 -1.26 -4.87 117.00 119.51 1xqq n LEU 73 Ca 0.00 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.67 1xqq n LEU 73 Cb 0.52 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.35 1xqq n LEU 73 CO 0.42 0.00 -0.69 -1.14 -1.11 0.00 0.00 177.39 174.87 1xqq n ARG 74 N -0.34 0.59 0.00 1.96 0.63 -1.26 -5.06 116.66 113.18 1xqq n ARG 74 Ca 0.00 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1xqq n ARG 74 Cb 0.00 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.20 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 1.48 0.69 0.00 5.14 0.00 -1.26 -5.22 105.19 106.02 1xqq n GLY 75 Ca -0.35 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93