#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 3.48 0.13 3.17 -0.21 -1.26 -1.92 119.66 123.05 1xqq s GLN 2 Ca 0.00 -0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.23 1xqq s GLN 2 Cb 0.00 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.11 1xqq s GLN 2 CO 0.00 -0.76 -0.27 0.96 -2.12 0.00 0.00 175.29 173.10 1xqq s ILE 3 N 2.50 2.24 -0.23 1.08 -4.36 -0.82 -2.11 121.20 119.50 1xqq s ILE 3 Ca 0.19 -1.74 -0.07 0.00 -0.26 0.00 0.00 60.65 58.78 1xqq s ILE 3 Cb -0.15 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1xqq s ILE 3 CO 0.15 0.10 0.05 -0.36 0.24 0.00 0.00 174.94 175.11 1xqq s PHE 4 N -1.05 3.07 -0.31 1.37 0.08 -0.72 -0.84 117.98 119.58 1xqq s PHE 4 Ca 0.14 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 1xqq s PHE 4 Cb -0.10 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1xqq s PHE 4 CO 0.06 -0.33 0.22 0.08 -0.10 0.00 0.00 175.22 175.14 1xqq s VAL 5 N 1.44 5.28 -0.25 -0.44 1.01 -0.25 -1.43 120.40 125.75 1xqq s VAL 5 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1xqq s VAL 5 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1xqq s VAL 5 CO 0.02 0.11 0.16 -0.75 0.00 0.00 0.00 175.10 174.64 1xqq s LYS 6 N 1.74 4.02 0.57 2.72 2.47 -0.55 -0.23 119.74 130.47 1xqq s LYS 6 Ca 0.06 -0.30 -0.05 0.00 -1.56 0.00 0.00 55.97 54.12 1xqq s LYS 6 Cb -0.17 -3.53 0.12 0.00 -1.46 0.00 0.00 37.83 32.79 1xqq s LYS 6 CO 0.11 0.01 0.78 0.25 0.16 0.00 0.00 175.35 176.65 1xqq n THR 7 N 4.44 0.00 -0.02 3.43 -2.24 -0.80 -0.74 114.28 118.36 1xqq n THR 7 Ca -0.15 -0.87 -0.13 0.00 -2.27 0.00 0.00 64.05 60.63 1xqq n THR 7 Cb 0.52 -1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.00 -0.72 3.22 5.85 -1.91 -3.26 115.31 118.49 1xqq h LEU 8 Ca -0.25 -0.52 -0.13 0.00 0.84 0.00 0.00 57.88 57.81 1xqq h LEU 8 Cb 0.81 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1xqq h LEU 8 CO 0.22 0.52 -0.62 0.71 -0.34 0.00 0.00 178.44 178.94 1xqq h THR 9 N -0.53 1.40 0.00 1.05 1.35 -1.95 -3.47 112.91 110.76 1xqq h THR 9 Ca -0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1xqq h THR 9 Cb 0.53 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1xqq h THR 9 CO 0.00 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1xqq n GLY 10 N 0.33 0.73 3.61 5.82 0.00 -1.23 -5.12 105.19 109.33 1xqq n GLY 10 Ca -0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.03 3.29 -0.43 1.61 2.20 -1.26 -4.84 119.74 120.28 1xqq s LYS 11 Ca 0.00 -0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 54.99 1xqq s LYS 11 Cb 0.00 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1xqq s LYS 11 CO 0.00 0.51 0.46 0.99 -0.36 0.00 0.00 175.35 176.94 1xqq s THR 12 N -0.35 5.07 -0.62 3.43 2.01 -1.26 -1.90 115.64 122.02 1xqq s THR 12 Ca 0.07 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 1xqq s THR 12 Cb -0.12 -4.07 0.16 0.00 0.01 0.00 0.00 72.50 68.48 1xqq s THR 12 CO 0.02 -0.46 0.55 -0.63 -0.69 0.00 0.00 174.62 173.41 1xqq s ILE 13 N 2.19 5.03 -0.30 1.82 1.01 0.67 -4.93 121.20 126.69 1xqq s ILE 13 Ca 0.13 -1.96 -0.22 0.00 0.00 0.00 0.00 60.65 58.60 1xqq s ILE 13 Cb -0.17 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1xqq s ILE 13 CO 0.14 -0.90 0.69 -0.89 0.00 0.00 0.00 174.94 173.98 1xqq s THR 14 N 0.99 4.88 -0.09 2.92 2.01 -1.26 -1.09 115.64 124.00 1xqq s THR 14 Ca 0.09 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 1xqq s THR 14 Cb -0.22 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1xqq s THR 14 CO -0.02 -0.17 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.92 1xqq s LEU 15 N 2.74 3.24 -0.46 4.42 1.43 -0.02 -4.95 118.68 125.08 1xqq s LEU 15 Ca 0.28 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1xqq s LEU 15 Cb -0.15 -1.73 0.11 0.00 0.03 0.00 0.00 46.19 44.45 1xqq s LEU 15 CO 0.12 0.32 0.32 -1.61 0.23 0.00 0.00 176.35 175.73 1xqq s GLU 16 N -0.53 2.52 0.22 1.70 2.02 -1.26 -1.94 118.70 121.42 1xqq s GLU 16 Ca 0.08 -1.67 0.05 0.00 0.02 0.00 0.00 54.97 53.45 1xqq s GLU 16 Cb -0.12 -3.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.17 1xqq s GLU 16 CO 0.02 -1.13 -0.06 0.14 0.02 0.00 0.00 175.26 174.25 1xqq s VAL 17 N 1.38 1.32 0.61 2.63 -7.23 -0.81 -4.90 120.40 113.41 1xqq s VAL 17 Ca 0.05 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 1xqq s VAL 17 Cb -0.25 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1xqq s VAL 17 CO 0.00 -0.47 0.93 -1.61 -0.31 0.00 0.00 175.10 173.63 1xqq s GLU 18 N -3.77 2.89 0.00 4.82 0.41 -1.26 -0.37 118.70 121.42 1xqq s GLU 18 Ca 0.25 0.04 0.26 0.00 -0.41 0.00 0.00 54.97 55.10 1xqq s GLU 18 Cb 0.03 -2.24 0.58 0.00 -1.78 0.00 0.00 34.13 30.72 1xqq s GLU 18 CO 0.07 -0.75 1.46 -0.35 -0.49 0.00 0.00 175.26 175.20 1xqq n PRO 19 N -2.64 1.03 0.00 0.39 -0.04 -1.26 -3.17 135.00 129.31 1xqq n PRO 19 Ca 0.05 -0.69 0.13 0.00 -0.04 0.00 0.00 63.50 62.95 1xqq n PRO 19 Cb 0.58 -1.49 0.43 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.39 0.67 -4.91 3.54 3.41 -1.26 -1.71 113.62 112.98 1xqq n SER 20 Ca 0.12 -0.55 -0.27 0.00 -0.26 0.00 0.00 58.87 57.91 1xqq n SER 20 Cb 0.38 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.64 6.31 0.53 4.04 1.01 -1.19 -4.80 116.67 119.92 1xqq s ASP 21 Ca 0.22 0.87 -0.02 0.00 0.71 0.00 0.00 52.55 54.33 1xqq s ASP 21 Cb 0.19 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.91 1xqq s ASP 21 CO 0.55 -0.49 0.78 0.42 0.21 0.00 0.00 175.17 176.64 1xqq s THR 22 N -2.60 3.59 0.17 -1.27 -4.23 -1.26 -1.26 115.64 108.78 1xqq s THR 22 Ca 0.47 -0.34 0.34 0.00 -1.18 0.00 0.00 61.69 60.98 1xqq s THR 22 Cb -0.10 -3.37 0.38 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 22 CO 0.41 -0.31 2.02 0.40 -0.54 0.00 0.00 174.62 176.59 1xqq h ILE 23 N 0.10 0.06 -0.41 2.99 1.08 -1.22 -2.74 117.51 117.36 1xqq h ILE 23 Ca -0.45 -0.51 -0.06 0.00 -0.39 0.00 0.00 64.86 63.45 1xqq h ILE 23 Cb 1.26 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1xqq h ILE 23 CO 0.58 0.02 0.01 -0.08 -0.69 0.00 0.00 178.15 177.98 1xqq h GLU 24 N 0.00 0.73 -0.08 2.37 4.81 -1.58 -1.84 114.58 118.99 1xqq h GLU 24 Ca -0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 1xqq h GLU 24 Cb 0.47 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1xqq h GLU 24 CO 0.00 0.80 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.64 1xqq h ASN 25 N 0.56 0.25 -0.80 1.04 2.35 -1.80 -1.78 115.58 115.40 1xqq h ASN 25 Ca 0.12 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1xqq h ASN 25 Cb 0.47 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1xqq h ASN 25 CO 0.02 0.74 0.47 0.58 -1.65 0.00 0.00 177.43 177.59 1xqq h VAL 26 N 0.18 1.23 -0.43 2.81 2.07 -1.45 0.43 116.25 121.09 1xqq h VAL 26 Ca 0.00 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1xqq h VAL 26 Cb 1.01 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1xqq h VAL 26 CO 0.08 0.25 -0.07 0.11 0.02 0.00 0.00 177.57 177.97 1xqq h LYS 27 N 1.12 0.80 -0.79 1.57 1.57 -1.16 -3.07 116.57 116.61 1xqq h LYS 27 Ca 0.29 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1xqq h LYS 27 Cb -0.02 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1xqq h LYS 27 CO -0.05 0.90 0.52 0.00 -0.57 0.00 0.00 179.45 180.25 1xqq h ALA 28 N 0.87 1.59 -1.15 3.86 0.00 -0.37 -1.22 119.26 122.84 1xqq h ALA 28 Ca 0.11 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.33 1xqq h ALA 28 Cb 0.58 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1xqq h ALA 28 CO 0.03 0.30 0.75 0.87 0.00 0.00 0.00 179.25 181.21 1xqq h LYS 29 N 0.90 0.25 0.04 0.00 1.79 -0.94 0.44 116.57 119.04 1xqq h LYS 29 Ca 0.33 -0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.44 1xqq h LYS 29 Cb 0.16 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 1xqq h LYS 29 CO -0.11 0.16 -2.06 -0.89 -1.08 0.00 0.00 179.45 175.47 1xqq n ILE 30 N -4.63 1.59 -0.07 1.86 5.41 -0.55 -0.27 119.36 122.69 1xqq n ILE 30 Ca 0.30 -0.73 -0.08 0.00 1.00 0.00 0.00 62.75 63.24 1xqq n ILE 30 Cb 1.11 -1.17 -0.01 0.00 -0.71 0.00 0.00 39.64 38.86 1xqq n ILE 30 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1xqq h GLN 31 N 0.02 0.24 0.21 0.38 -0.00 -1.10 0.44 115.11 115.30 1xqq h GLN 31 Ca -0.43 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.22 1xqq h GLN 31 Cb 2.05 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 29.44 1xqq h GLN 31 CO 0.04 0.16 -0.42 0.22 0.00 0.00 0.00 178.83 178.83 1xqq h ASP 32 N 0.25 -1.22 0.00 -0.69 3.58 -0.16 -2.11 116.42 116.06 1xqq h ASP 32 Ca 0.12 0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1xqq h ASP 32 Cb 0.07 0.44 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1xqq h ASP 32 CO -0.11 -0.52 -0.13 0.50 -2.88 0.00 0.00 179.24 176.10 1xqq h LYS 33 N -0.72 0.00 0.04 0.28 1.63 -0.58 -3.40 116.57 113.82 1xqq h LYS 33 Ca 0.00 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 1xqq h LYS 33 Cb 0.71 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.28 1xqq h LYS 33 CO -0.19 0.84 -2.26 -1.91 -3.45 0.00 0.00 179.45 172.47 1xqq n GLU 34 N -4.62 0.67 -0.60 1.90 4.07 0.13 -5.01 120.64 117.18 1xqq n GLU 34 Ca -0.11 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1xqq n GLU 34 Cb 0.43 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 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 1.99 0.84 3.33 8.31 0.00 -0.10 -4.99 105.19 114.57 1xqq n GLY 35 Ca -0.42 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.04 3.50 0.55 -0.61 1.01 -1.24 -4.96 121.20 117.41 1xqq s ILE 36 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 1xqq s ILE 36 Cb 0.00 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1xqq s ILE 36 CO 0.00 0.41 1.19 -2.84 0.00 0.00 0.00 174.94 173.71 1xqq s PRO 37 N 1.46 3.26 0.45 2.79 0.02 -1.26 -3.93 135.00 137.78 1xqq s PRO 37 Ca 0.05 1.80 0.28 0.00 0.02 0.00 0.00 61.00 63.16 1xqq s PRO 37 Cb -0.14 -2.08 0.96 0.00 0.02 0.00 0.00 34.50 33.25 1xqq s PRO 37 CO -0.02 -0.97 1.82 -1.00 -0.33 0.00 0.00 177.00 176.50 1xqq h PRO 38 N 1.27 0.00 0.00 5.54 0.13 -1.97 -3.06 132.00 133.91 1xqq h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xqq h PRO 38 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 38 CO 0.57 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.72 1xqq h ASP 39 N 0.00 0.00 0.17 1.44 2.03 -1.99 -3.04 116.42 115.03 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1xqq h ASP 39 CO 0.00 0.00 -1.09 0.00 -1.03 0.00 0.00 179.24 177.12 1xqq n GLN 40 N -2.90 0.17 -3.82 4.15 6.02 -1.16 -4.73 117.38 115.11 1xqq n GLN 40 Ca -0.02 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 1xqq n GLN 40 Cb 0.08 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -3.12 3.51 -0.21 -1.09 -0.21 -1.15 -0.54 119.66 116.85 1xqq s GLN 41 Ca 0.05 -0.08 -0.04 0.00 0.02 0.00 0.00 55.36 55.32 1xqq s GLN 41 Cb 0.15 -3.17 0.09 0.00 1.00 0.00 0.00 33.01 31.08 1xqq s GLN 41 CO 0.84 0.75 0.19 0.50 -2.12 0.00 0.00 175.29 175.44 1xqq s ARG 42 N -1.20 0.17 0.12 2.91 3.52 -0.99 -4.66 118.95 118.83 1xqq s ARG 42 Ca 0.19 0.04 -0.13 0.00 -0.13 0.00 0.00 55.73 55.70 1xqq s ARG 42 Cb -0.13 -1.29 -0.06 0.00 -1.56 0.00 0.00 34.95 31.91 1xqq s ARG 42 CO 0.08 -0.73 0.49 -0.51 -0.81 0.00 0.00 175.30 173.82 1xqq s LEU 43 N 2.27 4.34 -0.02 -0.88 1.43 -1.26 -1.56 118.68 123.00 1xqq s LEU 43 Ca 0.06 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1xqq s LEU 43 Cb -0.16 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 1xqq s LEU 43 CO -0.16 0.13 -0.15 -0.63 0.23 0.00 0.00 176.35 175.77 1xqq s ILE 44 N -1.44 1.20 -0.23 -0.59 1.01 0.76 -0.68 121.20 121.24 1xqq s ILE 44 Ca 0.36 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1xqq s ILE 44 Cb -0.15 -1.01 0.05 0.00 0.01 0.00 0.00 42.46 41.36 1xqq s ILE 44 CO 0.19 0.34 -0.11 0.12 0.00 0.00 0.00 174.94 175.48 1xqq s PHE 45 N -0.24 2.81 0.00 3.97 5.36 -0.10 -0.17 117.98 129.60 1xqq s PHE 45 Ca 0.03 -1.93 0.00 0.00 -0.96 0.00 0.00 56.93 54.08 1xqq s PHE 45 Cb -0.07 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 1xqq s PHE 45 CO -0.00 -0.81 0.00 0.00 -1.46 0.00 0.00 175.22 172.95 1xqq n ALA 46 N 4.57 0.00 -2.01 11.12 0.00 -1.26 -0.84 120.51 132.09 1xqq n ALA 46 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 0.90 3.35 0.00 0.00 -1.26 -5.06 105.19 103.11 1xqq n GLY 47 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N 0.00 3.22 0.47 1.61 -2.85 -0.02 -5.11 119.74 117.05 1xqq s LYS 48 Ca 0.00 -0.73 -0.22 0.00 -1.00 0.00 0.00 55.97 54.02 1xqq s LYS 48 Cb 0.00 -2.53 -0.08 0.00 -2.06 0.00 0.00 37.83 33.17 1xqq s LYS 48 CO -0.00 0.25 1.12 -0.65 0.10 0.00 0.00 175.35 176.17 1xqq s GLN 49 N 0.24 3.76 -0.41 1.78 -0.21 -1.26 -0.93 119.66 122.63 1xqq s GLN 49 Ca -0.10 1.64 -0.14 0.00 0.02 0.00 0.00 55.36 56.77 1xqq s GLN 49 Cb -0.16 -2.31 0.03 0.00 1.00 0.00 0.00 33.01 31.57 1xqq s GLN 49 CO 0.06 -0.52 0.29 -0.51 -2.12 0.00 0.00 175.29 172.50 1xqq s LEU 50 N -3.17 5.11 0.01 2.90 1.43 0.14 -4.88 118.68 120.22 1xqq s LEU 50 Ca 0.65 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1xqq s LEU 50 Cb -0.25 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1xqq s LEU 50 CO 0.30 -0.47 0.33 -1.61 0.23 0.00 0.00 176.35 175.12 1xqq s GLU 51 N 1.64 3.70 0.00 1.70 2.02 -1.26 -4.28 118.70 122.23 1xqq s GLU 51 Ca 0.04 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 1xqq s GLU 51 Cb -0.20 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 30.92 1xqq s GLU 51 CO 0.09 0.65 0.11 -0.25 0.02 0.00 0.00 175.26 175.88 1xqq n ASP 52 N 1.37 -0.02 -3.48 -0.19 9.92 -1.26 -3.51 116.55 119.38 1xqq n ASP 52 Ca -0.12 0.12 -0.40 0.00 -0.53 0.00 0.00 54.79 53.85 1xqq n ASP 52 Cb 0.53 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.95 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.00 4.59 3.46 0.44 0.00 -1.26 -1.58 105.19 109.84 1xqq n GLY 53 Ca 0.00 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1xqq n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xqq s ARG 54 N 1.26 1.15 0.41 1.61 3.52 -1.23 -5.03 118.95 120.63 1xqq s ARG 54 Ca 0.59 -0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.80 1xqq s ARG 54 Cb 0.17 0.53 -0.10 0.00 -1.56 0.00 0.00 34.95 33.99 1xqq s ARG 54 CO -0.07 -0.46 0.88 0.95 -0.81 0.00 0.00 175.30 175.79 1xqq s THR 55 N -2.82 4.52 0.09 4.11 -4.23 -1.26 -2.24 115.64 113.80 1xqq s THR 55 Ca -0.02 1.25 -0.19 0.00 -1.18 0.00 0.00 61.69 61.54 1xqq s THR 55 Cb -0.01 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.13 1xqq s THR 55 CO -0.05 -0.34 1.55 -0.07 -0.54 0.00 0.00 174.62 175.17 1xqq h LEU 56 N 1.85 0.41 -0.68 4.79 3.38 -1.29 -1.81 115.31 121.97 1xqq h LEU 56 Ca -0.48 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.25 1xqq h LEU 56 Cb 1.18 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1xqq h LEU 56 CO 0.63 0.58 0.41 -1.28 0.09 0.00 0.00 178.44 178.87 1xqq h SER 57 N 0.22 0.66 0.77 -0.43 0.87 -1.48 -1.09 113.55 113.07 1xqq h SER 57 Ca 0.07 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1xqq h SER 57 Cb 0.35 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1xqq h SER 57 CO 0.01 0.45 0.00 -0.78 -0.53 0.00 0.00 176.83 175.97 1xqq h ASP 58 N 0.79 0.00 1.38 6.23 3.58 -1.64 0.74 116.42 127.49 1xqq h ASP 58 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1xqq h ASP 58 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1xqq h ASP 58 CO -0.13 0.00 -0.40 1.88 -2.88 0.00 0.00 179.24 177.71 1xqq h TYR 59 N 0.00 0.00 -0.56 0.28 0.05 -0.92 -3.48 116.97 112.34 1xqq h TYR 59 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xqq h TYR 59 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1xqq h TYR 59 CO 0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1xqq n ASN 60 N -2.59 -1.18 -4.26 3.88 4.13 0.25 -5.05 115.26 110.44 1xqq n ASN 60 Ca 0.03 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.90 1xqq n ASN 60 Cb 0.49 -0.31 -0.11 0.00 -1.54 0.00 0.00 39.78 38.32 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 -2.56 4.05 0.00 2.41 -1.09 -0.46 -5.00 121.20 118.55 1xqq s ILE 61 Ca 0.00 -1.36 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1xqq s ILE 61 Cb 0.00 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1xqq s ILE 61 CO 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 174.94 173.28 1xqq n GLN 62 N 4.87 3.08 -1.88 2.79 0.00 -1.26 -4.08 117.38 120.89 1xqq n GLN 62 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.48 1xqq n GLN 62 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.65 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1xqq s LYS 63 N 0.57 4.17 -0.87 2.61 2.20 -1.26 -2.56 119.74 124.60 1xqq s LYS 63 Ca 0.00 2.35 -0.01 0.00 -0.36 0.00 0.00 55.97 57.95 1xqq s LYS 63 Cb 0.00 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 1xqq s LYS 63 CO 0.00 -0.86 0.73 0.39 -0.36 0.00 0.00 175.35 175.25 1xqq n GLU 64 N 6.98 -4.31 -3.57 4.03 1.02 -0.90 -5.04 120.64 118.84 1xqq n GLU 64 Ca 0.18 0.63 -0.27 0.00 -0.02 0.00 0.00 57.16 57.68 1xqq n GLU 64 Cb 0.42 -4.94 -0.03 0.00 -0.02 0.00 0.00 31.44 26.87 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 -3.88 6.39 -0.11 1.62 0.01 -1.06 -4.96 113.70 111.71 1xqq s SER 65 Ca 0.06 0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.83 1xqq s SER 65 Cb -0.01 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1xqq s SER 65 CO 0.54 -0.11 -0.23 -0.89 0.41 0.00 0.00 173.24 172.96 1xqq s THR 66 N -1.98 2.11 -0.25 1.44 2.01 -1.26 -1.76 115.64 115.95 1xqq s THR 66 Ca 0.40 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 1xqq s THR 66 Cb -0.11 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1xqq s THR 66 CO 0.30 0.56 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.99 1xqq s LEU 67 N 0.44 3.20 -0.20 4.42 1.43 -0.52 -4.60 118.68 122.87 1xqq s LEU 67 Ca -0.16 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 1xqq s LEU 67 Cb -0.17 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1xqq s LEU 67 CO 0.07 -0.11 0.45 -2.28 0.23 0.00 0.00 176.35 174.70 1xqq s HIS 68 N 1.39 3.38 -0.24 0.29 5.65 0.76 -1.48 115.29 125.03 1xqq s HIS 68 Ca 0.02 0.69 -0.10 0.00 0.25 0.00 0.00 55.06 55.92 1xqq s HIS 68 Cb -0.16 -2.58 -0.05 0.00 -1.18 0.00 0.00 32.58 28.61 1xqq s HIS 68 CO -0.03 -0.03 0.14 -1.17 -0.65 0.00 0.00 174.74 173.00 1xqq s LEU 69 N 1.39 3.96 0.00 8.88 2.96 0.08 -0.17 118.68 135.78 1xqq s LEU 69 Ca 0.21 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1xqq s LEU 69 Cb -0.15 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 1xqq s LEU 69 CO 0.09 0.03 0.01 1.33 -1.32 0.00 0.00 176.35 176.50 1xqq n VAL 70 N 4.49 0.00 -3.27 1.68 0.24 -0.60 -3.23 118.33 117.63 1xqq n VAL 70 Ca -0.15 -2.09 -0.39 0.00 -2.04 0.00 0.00 64.34 59.67 1xqq n VAL 70 Cb 0.52 0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 33.28 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.14 -0.42 1.34 2.96 -1.26 -2.34 118.68 123.10 1xqq s LEU 71 Ca 0.02 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 1xqq s LEU 71 Cb 0.00 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 44.03 1xqq s LEU 71 CO 0.01 -0.17 1.36 -0.60 -1.32 0.00 0.00 176.35 175.64 1xqq s ARG 72 N 1.61 3.61 0.56 1.98 3.52 0.30 -4.91 118.95 125.61 1xqq s ARG 72 Ca 0.23 0.88 0.05 0.00 -0.13 0.00 0.00 55.73 56.77 1xqq s ARG 72 Cb -0.15 -4.00 0.06 0.00 -1.56 0.00 0.00 34.95 29.30 1xqq s ARG 72 CO 0.09 -1.52 0.77 -0.51 -0.81 0.00 0.00 175.30 173.32 1xqq s LEU 73 N 5.24 3.27 -0.47 -0.88 1.43 -1.26 -4.69 118.68 121.31 1xqq s LEU 73 Ca 0.59 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1xqq s LEU 73 Cb -0.13 -2.25 0.16 0.00 0.03 0.00 0.00 46.19 44.00 1xqq s LEU 73 CO 0.32 -1.24 2.44 0.54 0.23 0.00 0.00 176.35 178.64 1xqq n ARG 74 N -2.28 2.30 0.00 1.70 1.74 -1.26 -4.39 116.66 114.47 1xqq n ARG 74 Ca 0.12 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1xqq n ARG 74 Cb 0.60 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 0.45 -1.48 0.00 -0.13 0.00 -1.26 -5.35 105.19 97.42 1xqq n GLY 75 Ca 0.45 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93