#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 4.21 0.18 2.12 -0.21 -1.26 -2.87 119.66 121.83 1xqq s GLN 2 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 55.36 56.98 1xqq s GLN 2 Cb 0.00 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.23 1xqq s GLN 2 CO 0.00 -0.72 -0.03 0.96 -2.12 0.00 0.00 175.29 173.38 1xqq s ILE 3 N 3.48 3.54 -0.14 1.08 -4.36 -0.85 -0.08 121.20 123.88 1xqq s ILE 3 Ca 0.51 -1.51 -0.04 0.00 -0.26 0.00 0.00 60.65 59.35 1xqq s ILE 3 Cb -0.19 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1xqq s ILE 3 CO 0.13 -0.11 -0.00 -0.36 0.24 0.00 0.00 174.94 174.83 1xqq s PHE 4 N -1.73 3.11 -0.25 1.37 0.08 -0.78 -1.42 117.98 118.36 1xqq s PHE 4 Ca 0.27 -0.06 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 1xqq s PHE 4 Cb -0.09 -1.93 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1xqq s PHE 4 CO 0.17 0.16 -0.00 0.08 -0.10 0.00 0.00 175.22 175.53 1xqq s VAL 5 N -0.02 3.54 -0.05 -0.44 1.01 -0.29 -1.15 120.40 123.00 1xqq s VAL 5 Ca 0.03 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1xqq s VAL 5 Cb -0.13 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xqq s VAL 5 CO 0.02 0.28 -0.23 -0.54 0.00 0.00 0.00 175.10 174.63 1xqq s LYS 6 N 1.47 2.37 0.69 2.72 1.02 -0.47 -0.11 119.74 127.43 1xqq s LYS 6 Ca 0.04 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.22 1xqq s LYS 6 Cb -0.15 -2.03 0.13 0.00 -0.52 0.00 0.00 37.83 35.25 1xqq s LYS 6 CO -0.01 0.36 0.95 0.95 -0.92 0.00 0.00 175.35 176.68 1xqq s THR 7 N -0.15 2.01 0.01 2.17 -4.23 0.08 -1.76 115.64 113.78 1xqq s THR 7 Ca -0.03 -0.77 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1xqq s THR 7 Cb -0.13 -2.25 -0.18 0.00 1.34 0.00 0.00 72.50 71.28 1xqq s THR 7 CO 0.03 0.00 1.23 0.25 -0.54 0.00 0.00 174.62 175.60 1xqq h LEU 8 N -0.33 0.35 -0.17 4.79 5.85 -1.89 -3.34 115.31 120.57 1xqq h LEU 8 Ca -0.32 -0.59 -0.22 0.00 0.84 0.00 0.00 57.88 57.60 1xqq h LEU 8 Cb 1.27 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.21 1xqq h LEU 8 CO 0.38 0.87 -0.75 0.71 -0.34 0.00 0.00 178.44 179.32 1xqq h THR 9 N -0.16 1.28 0.00 1.05 1.35 -1.96 -3.48 112.91 110.99 1xqq h THR 9 Ca -0.00 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1xqq h THR 9 Cb 0.83 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1xqq h THR 9 CO 0.05 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1xqq n GLY 10 N 0.67 0.23 3.19 5.82 0.00 -1.25 -5.14 105.19 108.70 1xqq n GLY 10 Ca -0.07 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 1.95 -0.39 1.61 2.20 -1.26 -4.96 119.74 118.88 1xqq s LYS 11 Ca 0.00 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.79 1xqq s LYS 11 Cb 0.00 -1.72 0.05 0.00 -1.51 0.00 0.00 37.83 34.64 1xqq s LYS 11 CO 0.00 0.33 0.23 0.99 -0.36 0.00 0.00 175.35 176.54 1xqq s THR 12 N -0.14 4.48 -0.22 3.43 2.01 -1.26 -0.74 115.64 123.20 1xqq s THR 12 Ca -0.01 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 1xqq s THR 12 Cb -0.11 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1xqq s THR 12 CO 0.02 -0.34 0.19 -0.63 -0.69 0.00 0.00 174.62 173.17 1xqq s ILE 13 N 1.52 5.34 -0.40 1.82 1.09 0.84 -4.93 121.20 126.48 1xqq s ILE 13 Ca 0.02 0.27 -0.17 0.00 -1.10 0.00 0.00 60.65 59.68 1xqq s ILE 13 Cb -0.21 -3.53 0.01 0.00 -1.06 0.00 0.00 42.46 37.67 1xqq s ILE 13 CO 0.05 0.35 0.41 -0.89 -0.10 0.00 0.00 174.94 174.77 1xqq s THR 14 N 0.94 5.12 -0.07 2.92 2.01 -1.26 -1.14 115.64 124.15 1xqq s THR 14 Ca 0.10 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 1xqq s THR 14 Cb -0.13 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1xqq s THR 14 CO 0.04 -0.32 0.28 -0.76 -0.69 0.00 0.00 174.62 173.16 1xqq s LEU 15 N 2.09 4.41 -0.94 4.42 1.43 -0.51 -4.93 118.68 124.64 1xqq s LEU 15 Ca 0.12 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1xqq s LEU 15 Cb -0.17 -2.33 0.27 0.00 0.03 0.00 0.00 46.19 43.99 1xqq s LEU 15 CO 0.13 0.33 1.11 -0.62 0.23 0.00 0.00 176.35 177.53 1xqq n GLU 16 N 2.14 3.50 -3.25 1.70 1.02 -1.26 -2.00 120.64 122.48 1xqq n GLU 16 Ca -0.16 -4.56 -0.19 0.00 -0.02 0.00 0.00 57.16 52.23 1xqq n GLU 16 Cb 0.53 -2.43 -0.01 0.00 -0.02 0.00 0.00 31.44 29.52 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 -2.25 2.99 0.30 2.62 -7.23 -1.14 -4.77 120.40 110.92 1xqq s VAL 17 Ca 0.32 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1xqq s VAL 17 Cb 0.03 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1xqq s VAL 17 CO 0.01 -0.02 0.49 -1.61 -0.31 0.00 0.00 175.10 173.65 1xqq s GLU 18 N -4.25 3.48 0.38 4.82 0.41 -1.26 0.21 118.70 122.49 1xqq s GLU 18 Ca 0.52 -0.42 0.18 0.00 -0.41 0.00 0.00 54.97 54.84 1xqq s GLU 18 Cb -0.08 -2.74 0.71 0.00 -1.78 0.00 0.00 34.13 30.25 1xqq s GLU 18 CO 0.31 0.25 1.76 -1.00 -0.49 0.00 0.00 175.26 176.08 1xqq h PRO 19 N 1.04 0.00 0.00 0.39 0.13 -1.94 -2.88 132.00 128.74 1xqq h PRO 19 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xqq h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xqq h PRO 19 CO 0.62 0.38 0.00 -1.13 -0.23 0.00 0.00 178.00 177.64 1xqq n SER 20 N -3.61 0.00 -4.82 1.44 3.41 -1.26 -2.63 113.62 106.15 1xqq n SER 20 Ca -0.01 0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.45 1xqq n SER 20 Cb 0.49 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.71 6.32 0.28 4.04 1.01 -1.09 -4.76 116.67 119.76 1xqq s ASP 21 Ca 0.15 1.68 -0.10 0.00 0.71 0.00 0.00 52.55 54.99 1xqq s ASP 21 Cb 0.13 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 1xqq s ASP 21 CO 0.31 -0.80 0.62 0.42 0.21 0.00 0.00 175.17 175.93 1xqq s THR 22 N -2.51 4.87 0.52 -1.27 -4.23 -1.26 -2.07 115.64 109.69 1xqq s THR 22 Ca 0.61 0.53 0.21 0.00 -1.18 0.00 0.00 61.69 61.86 1xqq s THR 22 Cb -0.12 -3.65 0.34 0.00 1.34 0.00 0.00 72.50 70.41 1xqq s THR 22 CO 0.32 -0.19 2.06 0.40 -0.54 0.00 0.00 174.62 176.66 1xqq h ILE 23 N 1.77 0.85 -0.74 2.99 1.08 -1.06 -0.63 117.51 121.77 1xqq h ILE 23 Ca -0.47 -0.01 0.16 0.00 -0.39 0.00 0.00 64.86 64.15 1xqq h ILE 23 Cb 1.18 0.82 -0.11 0.00 -3.07 0.00 0.00 36.82 35.64 1xqq h ILE 23 CO 0.67 0.01 0.19 -0.08 -0.69 0.00 0.00 178.15 178.25 1xqq h GLU 24 N 0.03 0.27 -0.31 2.37 4.81 -1.65 1.00 114.58 121.10 1xqq h GLU 24 Ca 0.15 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1xqq h GLU 24 Cb 0.57 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1xqq h GLU 24 CO -0.01 0.18 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.15 1xqq h ASN 25 N 0.28 0.72 -0.51 1.04 -0.73 -1.42 -0.15 115.58 114.82 1xqq h ASN 25 Ca 0.42 -0.30 -0.12 0.00 1.87 0.00 0.00 56.30 58.17 1xqq h ASN 25 Cb 0.72 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 1xqq h ASN 25 CO -0.51 1.00 -0.15 0.58 -0.37 0.00 0.00 177.43 177.98 1xqq h VAL 26 N 0.58 1.27 -0.15 2.57 2.07 -1.12 -2.09 116.25 119.38 1xqq h VAL 26 Ca 0.06 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1xqq h VAL 26 Cb 0.85 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1xqq h VAL 26 CO 0.07 0.46 0.06 0.11 0.02 0.00 0.00 177.57 178.29 1xqq h LYS 27 N 0.87 0.14 -0.55 1.57 1.57 -0.66 -2.50 116.57 117.01 1xqq h LYS 27 Ca 0.13 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1xqq h LYS 27 Cb 0.72 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1xqq h LYS 27 CO 0.06 0.09 0.38 0.00 -0.57 0.00 0.00 179.45 179.41 1xqq h ALA 28 N 1.08 2.18 -0.10 3.86 0.00 -0.94 -2.29 119.26 123.04 1xqq h ALA 28 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1xqq h ALA 28 Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xqq h ALA 28 CO -0.05 -0.31 -0.87 0.87 0.00 0.00 0.00 179.25 178.88 1xqq h LYS 29 N 0.25 0.76 -0.78 0.00 1.57 -0.92 -2.72 116.57 114.74 1xqq h LYS 29 Ca 0.26 -0.68 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1xqq h LYS 29 Cb 0.68 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 1xqq h LYS 29 CO -0.05 1.28 0.51 0.82 -0.57 0.00 0.00 179.45 181.44 1xqq h ILE 30 N 0.49 1.16 0.44 1.86 2.04 -1.33 -1.41 117.51 120.75 1xqq h ILE 30 Ca -0.08 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1xqq h ILE 30 Cb 1.51 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1xqq h ILE 30 CO 0.18 0.18 -0.21 -0.61 0.00 0.00 0.00 178.15 177.68 1xqq h GLN 31 N 1.00 -0.57 -0.07 2.37 4.15 -1.30 0.53 115.11 121.21 1xqq h GLN 31 Ca 0.30 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.79 1xqq h GLN 31 Cb -0.03 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1xqq h GLN 31 CO -0.08 -0.38 -0.11 0.22 -1.93 0.00 0.00 178.83 176.55 1xqq h ASP 32 N -0.59 -0.34 0.00 -0.69 1.82 -1.12 -1.89 116.42 113.61 1xqq h ASP 32 Ca -0.06 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xqq h ASP 32 Cb 0.46 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1xqq h ASP 32 CO 0.10 -0.15 -0.00 0.11 -1.61 0.00 0.00 179.24 177.68 1xqq h LYS 33 N -0.16 -0.01 0.00 0.28 1.57 -1.38 -3.42 116.57 113.46 1xqq h LYS 33 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xqq h LYS 33 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 33 CO -0.17 -0.00 -0.41 0.39 -0.57 0.00 0.00 179.45 178.69 1xqq n GLU 34 N -2.13 0.07 -0.39 3.15 -0.58 0.10 -4.97 120.64 115.90 1xqq n GLU 34 Ca -0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xqq n GLU 34 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 1.46 0.81 3.34 0.62 0.00 -0.71 -4.97 105.19 105.73 1xqq n GLY 35 Ca 0.05 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 3.16 0.83 -0.61 -1.09 -1.24 -4.94 121.20 115.31 1xqq s ILE 36 Ca 0.00 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 1xqq s ILE 36 Cb 0.00 -2.38 0.09 0.00 -1.58 0.00 0.00 42.46 38.59 1xqq s ILE 36 CO 0.00 0.48 1.13 -2.84 -1.23 0.00 0.00 174.94 172.48 1xqq s PRO 37 N 0.85 1.82 0.56 2.79 0.02 -1.26 -2.76 135.00 137.02 1xqq s PRO 37 Ca -0.03 0.39 0.31 0.00 0.02 0.00 0.00 61.00 61.70 1xqq s PRO 37 Cb -0.15 -1.91 1.67 0.00 0.02 0.00 0.00 34.50 34.13 1xqq s PRO 37 CO 0.01 -1.75 2.14 -1.35 -0.33 0.00 0.00 177.00 175.72 1xqq h PRO 38 N -1.18 0.00 0.00 5.54 0.11 -1.97 -2.54 132.00 131.97 1xqq h PRO 38 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1xqq h PRO 38 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.62 0.07 -1.12 -0.44 -0.21 0.00 0.00 178.00 176.92 1xqq h ASP 39 N 0.00 0.00 0.75 -2.05 3.32 -1.99 -3.34 116.42 113.11 1xqq h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xqq h ASP 39 CO 0.01 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 1xqq n GLN 40 N -2.75 0.04 -4.21 3.56 6.02 -0.95 -4.88 117.38 114.20 1xqq n GLN 40 Ca -0.03 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 1xqq n GLN 40 Cb 0.64 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 1xqq n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1xqq s GLN 41 N -2.95 2.21 -0.41 -1.09 -2.07 -1.25 -1.70 119.66 112.40 1xqq s GLN 41 Ca 0.12 -1.01 0.02 0.00 -1.82 0.00 0.00 55.36 52.67 1xqq s GLN 41 Cb 0.15 -2.34 0.12 0.00 -1.09 0.00 0.00 33.01 29.85 1xqq s GLN 41 CO 0.41 0.51 0.19 1.03 -1.32 0.00 0.00 175.29 176.11 1xqq s ARG 42 N -2.32 1.32 -0.95 9.60 0.52 0.16 -4.88 118.95 122.40 1xqq s ARG 42 Ca 0.23 -1.91 -0.23 0.00 -0.52 0.00 0.00 55.73 53.30 1xqq s ARG 42 Cb -0.11 -2.55 0.06 0.00 0.52 0.00 0.00 34.95 32.88 1xqq s ARG 42 CO 0.15 -1.09 1.35 -0.51 0.02 0.00 0.00 175.30 175.22 1xqq s LEU 43 N 0.57 3.80 -0.02 2.53 1.43 -1.26 -1.71 118.68 124.02 1xqq s LEU 43 Ca 0.15 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 1xqq s LEU 43 Cb -0.23 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1xqq s LEU 43 CO -0.06 -1.46 0.50 -0.63 0.23 0.00 0.00 176.35 174.94 1xqq s ILE 44 N 4.59 4.99 -0.22 -0.59 1.01 -0.04 -2.90 121.20 128.04 1xqq s ILE 44 Ca 0.41 1.04 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1xqq s ILE 44 Cb -0.03 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1xqq s ILE 44 CO -0.06 0.47 -0.11 0.12 0.00 0.00 0.00 174.94 175.36 1xqq s PHE 45 N -0.40 2.74 0.00 3.97 5.36 0.14 -1.19 117.98 128.60 1xqq s PHE 45 Ca 0.27 -1.88 0.00 0.00 -0.96 0.00 0.00 56.93 54.36 1xqq s PHE 45 Cb -0.17 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1xqq s PHE 45 CO 0.14 -0.80 0.00 0.00 -1.46 0.00 0.00 175.22 173.10 1xqq n ALA 46 N 4.59 0.00 0.11 11.12 0.00 -1.26 -1.01 120.51 134.06 1xqq n ALA 46 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1xqq n ALA 46 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.37 3.65 0.00 0.00 -1.26 -5.01 105.19 101.19 1xqq n GLY 47 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.38 3.56 0.26 1.61 -2.85 -0.18 -5.09 119.74 113.66 1xqq s LYS 48 Ca -0.02 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.29 1xqq s LYS 48 Cb 0.11 -3.02 -0.09 0.00 -2.06 0.00 0.00 37.83 32.76 1xqq s LYS 48 CO 0.81 0.45 1.17 1.14 0.10 0.00 0.00 175.35 179.02 1xqq s GLN 49 N -0.16 4.54 -0.07 1.78 -2.07 -1.26 0.24 119.66 122.66 1xqq s GLN 49 Ca 0.06 1.90 -0.07 0.00 -1.82 0.00 0.00 55.36 55.43 1xqq s GLN 49 Cb -0.12 -3.18 -0.04 0.00 -1.09 0.00 0.00 33.01 28.57 1xqq s GLN 49 CO 0.02 0.04 0.20 -0.51 -1.32 0.00 0.00 175.29 173.72 1xqq s LEU 50 N -1.12 4.39 -0.05 2.60 1.43 -1.14 -4.95 118.68 119.84 1xqq s LEU 50 Ca 0.48 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1xqq s LEU 50 Cb -0.34 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 1xqq s LEU 50 CO 0.42 0.35 -0.24 -1.61 0.23 0.00 0.00 176.35 175.49 1xqq s GLU 51 N -1.31 2.52 0.12 1.70 2.02 -1.26 -4.90 118.70 117.60 1xqq s GLU 51 Ca 0.20 -0.90 -0.32 0.00 0.02 0.00 0.00 54.97 53.97 1xqq s GLU 51 Cb -0.13 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 1xqq s GLU 51 CO 0.09 0.41 1.56 -0.44 0.02 0.00 0.00 175.26 176.90 1xqq h ASP 52 N 5.99 -1.60 0.64 -0.19 5.19 -1.98 -2.77 116.42 121.70 1xqq h ASP 52 Ca -0.33 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1xqq h ASP 52 Cb 1.17 0.63 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1xqq h ASP 52 CO 0.47 -0.46 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 1xqq n GLY 53 N -1.44 -1.14 3.85 2.75 0.00 -1.26 -1.85 105.19 106.10 1xqq n GLY 53 Ca -0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.01 3.78 0.52 1.61 1.81 -1.05 -4.86 118.95 117.75 1xqq s ARG 54 Ca 0.09 0.89 0.02 0.00 -1.72 0.00 0.00 55.73 55.00 1xqq s ARG 54 Cb 0.12 -2.11 0.02 0.00 -0.45 0.00 0.00 34.95 32.53 1xqq s ARG 54 CO 0.34 -0.42 0.73 0.95 -0.68 0.00 0.00 175.30 176.22 1xqq s THR 55 N -2.83 2.98 0.11 0.02 -4.23 -1.26 -1.76 115.64 108.67 1xqq s THR 55 Ca 0.58 -0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1xqq s THR 55 Cb -0.11 -3.10 -0.13 0.00 1.34 0.00 0.00 72.50 70.50 1xqq s THR 55 CO 0.40 -0.07 1.34 -0.07 -0.54 0.00 0.00 174.62 175.68 1xqq h LEU 56 N 0.19 0.97 -1.73 4.79 3.38 -1.55 -2.86 115.31 118.50 1xqq h LEU 56 Ca -0.43 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 56.92 1xqq h LEU 56 Cb 1.29 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xqq h LEU 56 CO 0.53 1.39 -0.16 0.77 0.09 0.00 0.00 178.44 181.05 1xqq h SER 57 N 0.59 0.00 0.03 -0.43 4.64 -1.77 0.11 113.55 116.73 1xqq h SER 57 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xqq h SER 57 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1xqq h SER 57 CO 0.15 0.16 -0.02 -0.78 -0.87 0.00 0.00 176.83 175.48 1xqq h ASP 58 N 0.00 -0.04 0.18 4.97 3.58 -1.85 -3.11 116.42 120.15 1xqq h ASP 58 Ca -0.00 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 1xqq h ASP 58 Cb 0.32 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1xqq h ASP 58 CO 0.02 0.16 -0.22 1.88 -2.88 0.00 0.00 179.24 178.20 1xqq h TYR 59 N -0.23 0.09 -1.01 0.28 0.05 -1.44 -3.48 116.97 111.23 1xqq h TYR 59 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1xqq h TYR 59 Cb 0.21 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1xqq h TYR 59 CO -0.01 0.30 0.00 0.09 -1.05 0.00 0.00 178.16 177.49 1xqq n ASN 60 N -4.24 -1.79 -4.56 3.88 3.02 0.21 -5.02 115.26 106.76 1xqq n ASN 60 Ca -0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 1xqq n ASN 60 Cb 0.30 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.88 3.82 0.83 2.41 1.01 -0.22 -5.00 121.20 121.16 1xqq s ILE 61 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1xqq s ILE 61 Cb 0.00 -4.91 0.14 0.00 0.01 0.00 0.00 42.46 37.71 1xqq s ILE 61 CO 0.00 -1.81 1.15 -1.10 0.00 0.00 0.00 174.94 173.18 1xqq s GLN 62 N 5.38 1.37 0.09 2.79 -1.52 -1.26 -4.68 119.66 121.83 1xqq s GLN 62 Ca 0.46 -0.55 -0.35 0.00 -1.95 0.00 0.00 55.36 52.98 1xqq s GLN 62 Cb -0.03 -2.07 -0.14 0.00 -0.22 0.00 0.00 33.01 30.56 1xqq s GLN 62 CO -0.03 -1.82 1.61 1.17 -0.25 0.00 0.00 175.29 175.97 1xqq n LYS 63 N -3.28 1.98 -1.96 2.91 4.81 -1.26 -3.08 118.16 118.28 1xqq n LYS 63 Ca 0.13 0.72 -0.02 0.00 -0.87 0.00 0.00 58.31 58.27 1xqq n LYS 63 Cb 0.60 -2.48 -0.00 0.00 0.02 0.00 0.00 35.03 33.17 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xqq n GLU 64 N 3.97 -0.14 -2.90 1.64 1.02 0.89 -5.01 120.64 120.12 1xqq n GLU 64 Ca 0.19 0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 57.11 1xqq n GLU 64 Cb 0.27 -3.71 -0.07 0.00 -0.02 0.00 0.00 31.44 27.91 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 -2.93 6.96 -0.30 1.62 0.01 -1.18 -4.62 113.70 113.27 1xqq s SER 65 Ca 0.00 1.61 -0.17 0.00 1.31 0.00 0.00 55.95 58.70 1xqq s SER 65 Cb 0.00 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1xqq s SER 65 CO 0.00 -0.27 0.45 -0.89 0.41 0.00 0.00 173.24 172.94 1xqq s THR 66 N -2.04 5.10 -0.13 1.44 2.01 -1.26 -1.87 115.64 118.90 1xqq s THR 66 Ca 0.58 0.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.04 1xqq s THR 66 Cb -0.11 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1xqq s THR 66 CO 0.16 0.00 0.10 -0.76 -0.69 0.00 0.00 174.62 173.43 1xqq s LEU 67 N 2.22 4.12 -0.42 4.42 1.02 -0.30 -4.75 118.68 124.99 1xqq s LEU 67 Ca 0.17 0.32 -0.16 0.00 0.02 0.00 0.00 54.13 54.48 1xqq s LEU 67 Cb -0.16 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.07 1xqq s LEU 67 CO 0.11 0.35 0.37 -1.00 0.02 0.00 0.00 176.35 176.20 1xqq s HIS 68 N -0.67 3.20 -0.53 0.29 3.76 -0.33 -1.37 115.29 119.64 1xqq s HIS 68 Ca 0.12 -0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 54.35 1xqq s HIS 68 Cb -0.12 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 30.87 1xqq s HIS 68 CO 0.02 -0.65 0.74 -1.17 -0.85 0.00 0.00 174.74 172.83 1xqq s LEU 69 N 1.92 4.67 0.30 0.89 2.96 -0.72 -0.86 118.68 127.84 1xqq s LEU 69 Ca 0.09 -0.74 0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1xqq s LEU 69 Cb -0.18 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1xqq s LEU 69 CO 0.12 -1.02 0.16 -0.69 -1.32 0.00 0.00 176.35 173.59 1xqq s VAL 70 N 3.11 3.58 0.05 1.68 1.01 -0.69 -3.34 120.40 125.80 1xqq s VAL 70 Ca 0.20 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.65 1xqq s VAL 70 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1xqq s VAL 70 CO 0.14 -0.27 -0.19 -0.76 0.00 0.00 0.00 175.10 174.03 1xqq s LEU 71 N -3.84 2.60 0.07 3.92 1.02 -1.26 0.41 118.68 121.60 1xqq s LEU 71 Ca 0.36 -0.45 -0.31 0.00 0.02 0.00 0.00 54.13 53.75 1xqq s LEU 71 Cb -0.05 -1.51 -0.07 0.00 0.02 0.00 0.00 46.19 44.57 1xqq s LEU 71 CO 0.23 0.25 1.46 -0.13 0.02 0.00 0.00 176.35 178.18 1xqq s ARG 72 N -1.51 4.28 0.04 1.70 0.52 -0.69 -4.95 118.95 118.33 1xqq s ARG 72 Ca 0.15 2.11 -0.25 0.00 -0.52 0.00 0.00 55.73 57.23 1xqq s ARG 72 Cb -0.10 -3.41 -0.17 0.00 0.52 0.00 0.00 34.95 31.78 1xqq s ARG 72 CO 0.06 -0.55 1.51 1.25 0.02 0.00 0.00 175.30 177.58 1xqq h LEU 73 N 7.61 -0.04 0.00 2.53 5.85 -2.00 -3.43 115.31 125.83 1xqq h LEU 73 Ca -0.41 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1xqq h LEU 73 Cb 1.20 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xqq h LEU 73 CO 0.89 0.19 0.00 -1.14 -0.34 0.00 0.00 178.44 178.05 1xqq n ARG 74 N -5.00 0.00 0.00 1.25 0.00 -1.26 -5.15 116.66 106.50 1xqq n ARG 74 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1xqq n ARG 74 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xqq n GLY 75 N 3.01 2.53 0.65 5.14 0.00 -1.26 -5.08 105.19 110.17 1xqq n GLY 75 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93