#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 4.40 0.07 3.17 -0.21 -1.26 -2.86 119.66 122.98 1xqq s GLN 2 Ca 0.00 1.91 0.02 0.00 0.02 0.00 0.00 55.36 57.31 1xqq s GLN 2 Cb 0.00 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 1xqq s GLN 2 CO 0.00 -0.29 -0.07 0.96 -2.12 0.00 0.00 175.29 173.77 1xqq s ILE 3 N 0.82 0.61 -0.26 1.08 -4.36 -0.71 -1.71 121.20 116.67 1xqq s ILE 3 Ca 0.59 -1.51 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 1xqq s ILE 3 Cb -0.33 -1.15 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 1xqq s ILE 3 CO 0.31 -0.63 0.06 -0.36 0.24 0.00 0.00 174.94 174.56 1xqq s PHE 4 N -2.52 3.09 -0.35 1.37 0.08 -0.21 -1.89 117.98 117.54 1xqq s PHE 4 Ca 0.01 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1xqq s PHE 4 Cb -0.02 -2.23 0.08 0.00 -0.57 0.00 0.00 43.02 40.28 1xqq s PHE 4 CO -0.02 -0.44 0.10 0.08 -0.10 0.00 0.00 175.22 174.84 1xqq s VAL 5 N 1.57 3.03 -0.20 -0.44 1.01 -0.16 -0.67 120.40 124.54 1xqq s VAL 5 Ca 0.05 -1.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.03 1xqq s VAL 5 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1xqq s VAL 5 CO 0.03 -0.43 0.60 -0.75 0.00 0.00 0.00 175.10 174.55 1xqq s LYS 6 N 1.16 4.20 0.78 2.72 2.20 -0.22 -2.01 119.74 128.56 1xqq s LYS 6 Ca 0.03 0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 56.08 1xqq s LYS 6 Cb -0.21 -3.58 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1xqq s LYS 6 CO -0.03 -0.23 1.12 0.95 -0.36 0.00 0.00 175.35 176.80 1xqq s THR 7 N 1.90 2.85 0.14 3.43 -4.23 0.24 -0.30 115.64 119.67 1xqq s THR 7 Ca 0.27 0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 1xqq s THR 7 Cb -0.16 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 1xqq s THR 7 CO 0.10 -0.36 1.77 0.25 -0.54 0.00 0.00 174.62 175.84 1xqq h LEU 8 N -0.95 0.20 0.02 4.79 5.85 -1.30 -3.34 115.31 120.58 1xqq h LEU 8 Ca -0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1xqq h LEU 8 Cb 1.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1xqq h LEU 8 CO 0.63 0.15 -0.01 0.71 -0.34 0.00 0.00 178.44 179.59 1xqq h THR 9 N 0.30 0.00 0.00 1.05 1.35 -1.94 -3.49 112.91 110.18 1xqq h THR 9 Ca 0.12 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1xqq h THR 9 Cb 0.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1xqq h THR 9 CO -0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.79 1xqq n GLY 10 N -0.56 0.00 3.17 5.82 0.00 -1.25 -5.17 105.19 107.20 1xqq n GLY 10 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.27 -0.12 1.61 2.20 -1.26 -4.94 119.74 118.49 1xqq s LYS 11 Ca 0.00 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1xqq s LYS 11 Cb 0.00 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1xqq s LYS 11 CO 0.00 0.34 -0.10 0.99 -0.36 0.00 0.00 175.35 176.22 1xqq s THR 12 N -0.57 3.33 0.05 3.43 2.01 -1.26 -0.59 115.64 122.04 1xqq s THR 12 Ca 0.06 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1xqq s THR 12 Cb -0.07 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1xqq s THR 12 CO 0.00 0.53 -0.23 0.27 -0.69 0.00 0.00 174.62 174.50 1xqq s ILE 13 N 0.15 1.89 -0.31 1.82 -4.36 -0.85 -4.95 121.20 114.59 1xqq s ILE 13 Ca -0.05 -1.34 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1xqq s ILE 13 Cb -0.15 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 41.97 1xqq s ILE 13 CO 0.04 0.24 0.02 -0.89 0.24 0.00 0.00 174.94 174.60 1xqq s THR 14 N -0.84 3.22 0.15 8.37 2.01 -1.26 -0.98 115.64 126.29 1xqq s THR 14 Ca 0.09 -1.27 0.09 0.00 0.31 0.00 0.00 61.69 60.91 1xqq s THR 14 Cb -0.09 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1xqq s THR 14 CO 0.02 -0.10 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.95 1xqq s LEU 15 N 1.30 2.82 -0.22 4.42 1.43 -0.79 -4.92 118.68 122.73 1xqq s LEU 15 Ca -0.04 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1xqq s LEU 15 Cb -0.19 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1xqq s LEU 15 CO -0.00 0.14 0.25 -1.61 0.23 0.00 0.00 176.35 175.36 1xqq s GLU 16 N -2.46 4.12 0.41 1.70 2.02 -1.26 -1.74 118.70 121.50 1xqq s GLU 16 Ca 0.21 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.15 1xqq s GLU 16 Cb -0.10 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1xqq s GLU 16 CO 0.12 0.05 0.07 0.14 0.02 0.00 0.00 175.26 175.66 1xqq s VAL 17 N 1.08 1.02 0.57 2.63 -7.23 -1.13 -4.96 120.40 112.38 1xqq s VAL 17 Ca 0.12 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1xqq s VAL 17 Cb -0.14 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1xqq s VAL 17 CO 0.05 0.00 0.71 -1.61 -0.31 0.00 0.00 175.10 173.94 1xqq s GLU 18 N -3.80 2.30 0.37 4.82 2.02 -1.26 -0.61 118.70 122.54 1xqq s GLU 18 Ca 0.23 -1.71 0.18 0.00 0.02 0.00 0.00 54.97 53.69 1xqq s GLU 18 Cb 0.05 -2.54 0.67 0.00 0.10 0.00 0.00 34.13 32.41 1xqq s GLU 18 CO 0.12 -0.80 1.74 -1.35 0.02 0.00 0.00 175.26 174.99 1xqq h PRO 19 N 0.30 0.00 -0.00 0.39 0.11 -1.96 -3.23 132.00 127.62 1xqq h PRO 19 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xqq h PRO 19 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xqq h PRO 19 CO 0.44 0.39 -0.14 0.43 -0.21 0.00 0.00 178.00 178.91 1xqq n SER 20 N -3.58 0.19 -4.77 -2.05 7.64 -1.26 -1.96 113.62 107.83 1xqq n SER 20 Ca -0.00 0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 1xqq n SER 20 Cb 0.51 -0.24 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.90 4.97 0.16 6.43 1.01 -1.22 -4.82 116.67 120.31 1xqq s ASP 21 Ca 0.16 2.02 0.02 0.00 0.71 0.00 0.00 52.55 55.46 1xqq s ASP 21 Cb 0.19 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.59 1xqq s ASP 21 CO 0.56 -1.72 0.16 0.35 0.21 0.00 0.00 175.17 174.73 1xqq n THR 22 N -2.53 0.00 0.11 -1.27 -2.24 -1.26 -2.38 114.28 104.71 1xqq n THR 22 Ca 0.10 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1xqq n THR 22 Cb 0.52 -0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N 0.36 0.96 -0.79 2.28 1.08 -1.34 -2.43 117.51 117.64 1xqq h ILE 23 Ca -0.09 -2.40 0.12 0.00 -0.39 0.00 0.00 64.86 62.10 1xqq h ILE 23 Cb 0.37 2.45 -0.08 0.00 -3.07 0.00 0.00 36.82 36.48 1xqq h ILE 23 CO 0.14 0.55 0.39 -0.08 -0.69 0.00 0.00 178.15 178.46 1xqq h GLU 24 N 0.00 0.59 -0.02 2.37 4.81 -1.54 0.28 114.58 121.08 1xqq h GLU 24 Ca -0.03 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1xqq h GLU 24 Cb 1.48 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.74 1xqq h GLU 24 CO 0.07 0.39 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.37 1xqq h ASN 25 N 0.61 0.44 -0.11 1.04 4.21 -1.76 -1.84 115.58 118.16 1xqq h ASN 25 Ca 0.41 -0.74 0.04 0.00 1.21 0.00 0.00 56.30 57.22 1xqq h ASN 25 Cb 0.52 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 37.52 1xqq h ASN 25 CO -0.33 1.12 -0.41 0.58 -1.29 0.00 0.00 177.43 177.11 1xqq h VAL 26 N -0.20 0.16 -0.34 2.81 2.07 -1.41 -1.40 116.25 117.95 1xqq h VAL 26 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1xqq h VAL 26 Cb 1.18 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1xqq h VAL 26 CO 0.09 0.00 0.23 0.11 0.02 0.00 0.00 177.57 178.02 1xqq h LYS 27 N -0.49 0.29 -0.04 1.57 1.57 -0.93 -1.83 116.57 116.71 1xqq h LYS 27 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 27 Cb 0.62 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1xqq h LYS 27 CO -0.38 0.19 -0.03 0.00 -0.57 0.00 0.00 179.45 178.66 1xqq h ALA 28 N 1.81 0.05 -0.75 3.86 0.00 -1.18 -1.81 119.26 121.24 1xqq h ALA 28 Ca 0.14 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1xqq h ALA 28 Cb 0.20 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 1xqq h ALA 28 CO -0.03 -0.18 0.02 0.87 0.00 0.00 0.00 179.25 179.93 1xqq h LYS 29 N -0.35 0.11 -0.68 0.00 1.57 -0.82 0.27 116.57 116.67 1xqq h LYS 29 Ca 0.01 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xqq h LYS 29 Cb 0.51 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1xqq h LYS 29 CO 0.01 0.07 0.33 0.82 -0.57 0.00 0.00 179.45 180.11 1xqq h ILE 30 N 0.11 0.86 0.04 1.86 2.04 -1.34 0.55 117.51 121.63 1xqq h ILE 30 Ca 0.41 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1xqq h ILE 30 Cb 0.73 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1xqq h ILE 30 CO -0.65 0.10 -0.02 -0.61 0.00 0.00 0.00 178.15 176.97 1xqq h GLN 31 N 0.57 -0.05 0.59 2.37 4.15 -0.28 0.58 115.11 123.04 1xqq h GLN 31 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 1xqq h GLN 31 Cb 0.33 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1xqq h GLN 31 CO -0.26 0.29 -0.34 0.22 -1.93 0.00 0.00 178.83 176.81 1xqq h ASP 32 N -0.41 -0.86 0.00 -0.69 3.58 -0.40 -3.09 116.42 114.56 1xqq h ASP 32 Ca -0.01 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1xqq h ASP 32 Cb 0.37 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1xqq h ASP 32 CO 0.01 -0.55 0.00 1.17 -2.88 0.00 0.00 179.24 176.99 1xqq n LYS 33 N -5.49 0.00 0.20 0.28 3.00 0.19 -4.60 118.16 111.75 1xqq n LYS 33 Ca -0.13 0.05 -0.12 0.00 -0.00 0.00 0.00 58.31 58.11 1xqq n LYS 33 Cb 0.38 -0.97 -0.07 0.00 0.00 0.00 0.00 35.03 34.36 1xqq n LYS 33 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1xqq h GLU 34 N 0.00 -0.53 0.00 1.64 4.57 -0.03 -3.48 114.58 116.75 1xqq h GLU 34 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1xqq h GLU 34 Cb 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1xqq h GLU 34 CO 0.00 -0.22 0.00 0.41 -1.18 0.00 0.00 179.01 178.02 1xqq n GLY 35 N -0.17 -0.25 3.77 1.92 0.00 -0.61 -4.99 105.19 104.87 1xqq n GLY 35 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.32 5.16 0.48 -0.61 1.01 -1.23 -4.90 121.20 120.79 1xqq s ILE 36 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 60.65 61.24 1xqq s ILE 36 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1xqq s ILE 36 CO 0.00 0.45 1.02 -2.16 0.00 0.00 0.00 174.94 174.24 1xqq s PRO 37 N -0.10 3.87 0.00 2.79 0.04 -1.26 -3.63 135.00 136.71 1xqq s PRO 37 Ca 0.22 1.28 0.27 0.00 0.04 0.00 0.00 61.00 62.81 1xqq s PRO 37 Cb -0.15 -2.11 1.16 0.00 0.04 0.00 0.00 34.50 33.44 1xqq s PRO 37 CO 0.10 -0.36 1.86 -0.35 0.04 0.00 0.00 177.00 178.29 1xqq n PRO 38 N -0.98 0.04 0.28 0.56 -0.04 -1.26 -0.52 135.00 133.08 1xqq n PRO 38 Ca 0.09 0.04 0.16 0.00 -0.04 0.00 0.00 63.50 63.75 1xqq n PRO 38 Cb 0.53 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.31 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.00 0.77 3.54 3.32 -2.00 -3.03 116.42 119.02 1xqq h ASP 39 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1xqq h ASP 39 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1xqq h ASP 39 CO 0.00 0.07 -1.30 1.67 -1.72 0.00 0.00 179.24 177.96 1xqq n GLN 40 N -3.38 0.62 -3.18 3.56 7.27 0.32 -4.90 117.38 117.68 1xqq n GLN 40 Ca -0.01 0.16 -0.39 0.00 0.07 0.00 0.00 57.00 56.83 1xqq n GLN 40 Cb 0.22 -1.80 -0.05 0.00 2.41 0.00 0.00 30.24 31.02 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 -3.12 4.37 -0.12 3.69 -0.21 -1.15 -3.35 119.66 119.78 1xqq s GLN 41 Ca -0.02 0.69 0.03 0.00 0.02 0.00 0.00 55.36 56.07 1xqq s GLN 41 Cb 0.09 -3.42 0.01 0.00 1.00 0.00 0.00 33.01 30.69 1xqq s GLN 41 CO 0.81 0.18 -0.20 1.03 -2.12 0.00 0.00 175.29 174.98 1xqq s ARG 42 N 0.48 2.75 -0.19 2.91 0.52 0.60 -5.00 118.95 121.02 1xqq s ARG 42 Ca 0.32 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1xqq s ARG 42 Cb -0.17 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 1xqq s ARG 42 CO 0.15 0.03 0.02 -1.17 0.02 0.00 0.00 175.30 174.35 1xqq s LEU 43 N 0.71 3.44 -0.02 2.53 2.96 -1.26 0.31 118.68 127.36 1xqq s LEU 43 Ca -0.11 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1xqq s LEU 43 Cb -0.16 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1xqq s LEU 43 CO 0.02 0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.39 1xqq s ILE 44 N 0.72 1.10 -0.16 6.68 1.01 -0.27 0.17 121.20 130.45 1xqq s ILE 44 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1xqq s ILE 44 Cb -0.14 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1xqq s ILE 44 CO 0.02 0.32 -0.20 0.12 0.00 0.00 0.00 174.94 175.20 1xqq s PHE 45 N -0.14 2.65 0.00 3.97 5.36 -0.07 -0.98 117.98 128.77 1xqq s PHE 45 Ca 0.02 -1.47 0.00 0.00 -0.96 0.00 0.00 56.93 54.51 1xqq s PHE 45 Cb -0.07 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1xqq s PHE 45 CO 0.00 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.05 1xqq n ALA 46 N 4.42 0.00 -2.09 11.12 0.00 -1.26 -1.25 120.51 131.45 1xqq n ALA 46 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xqq n ALA 46 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.74 3.57 0.00 0.00 -1.26 -5.06 105.19 103.17 1xqq n GLY 47 Ca 0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N 0.00 3.75 -0.12 1.61 2.47 -0.38 -5.07 119.74 122.00 1xqq s LYS 48 Ca 0.06 -0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.04 1xqq s LYS 48 Cb 0.07 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1xqq s LYS 48 CO -0.03 -0.48 1.51 -1.14 0.16 0.00 0.00 175.35 175.37 1xqq s GLN 49 N 2.19 4.14 0.01 4.03 0.74 -1.26 -0.89 119.66 128.61 1xqq s GLN 49 Ca 0.16 1.92 -0.22 0.00 0.05 0.00 0.00 55.36 57.27 1xqq s GLN 49 Cb -0.16 -3.91 -0.05 0.00 1.10 0.00 0.00 33.01 29.98 1xqq s GLN 49 CO 0.12 -0.86 0.64 -0.51 -0.55 0.00 0.00 175.29 174.12 1xqq s LEU 50 N 4.02 4.42 -0.05 3.68 1.43 0.45 -4.95 118.68 127.68 1xqq s LEU 50 Ca 0.66 1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1xqq s LEU 50 Cb -0.28 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1xqq s LEU 50 CO 0.24 0.08 0.09 -1.61 0.23 0.00 0.00 176.35 175.38 1xqq s GLU 51 N -0.14 3.16 0.36 1.70 2.02 -1.26 -4.67 118.70 119.86 1xqq s GLU 51 Ca 0.33 -0.38 0.13 0.00 0.02 0.00 0.00 54.97 55.06 1xqq s GLU 51 Cb -0.19 -2.93 0.94 0.00 0.10 0.00 0.00 34.13 32.05 1xqq s GLU 51 CO 0.19 0.69 1.79 -0.44 0.02 0.00 0.00 175.26 177.50 1xqq h ASP 52 N 4.47 0.59 -0.59 -0.19 5.19 -1.96 -2.29 116.42 121.65 1xqq h ASP 52 Ca -0.51 0.08 -0.39 0.00 -0.62 0.00 0.00 57.03 55.60 1xqq h ASP 52 Cb 1.19 -0.02 -0.25 0.00 0.18 0.00 0.00 39.33 40.44 1xqq h ASP 52 CO 0.60 0.18 -0.22 0.61 -3.12 0.00 0.00 179.24 177.29 1xqq n GLY 53 N -1.41 5.63 3.66 2.75 0.00 -1.26 -1.38 105.19 113.18 1xqq n GLY 53 Ca 0.23 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.48 2.40 0.54 1.61 1.81 -0.86 -4.99 118.95 115.99 1xqq s ARG 54 Ca 0.50 -1.08 -0.06 0.00 -1.72 0.00 0.00 55.73 53.37 1xqq s ARG 54 Cb 0.42 -2.37 -0.02 0.00 -0.45 0.00 0.00 34.95 32.53 1xqq s ARG 54 CO 0.01 0.47 0.85 0.95 -0.68 0.00 0.00 175.30 176.90 1xqq s THR 55 N -1.66 4.36 0.31 0.02 -4.23 -1.26 -3.20 115.64 109.97 1xqq s THR 55 Ca 0.27 0.17 0.06 0.00 -1.18 0.00 0.00 61.69 61.02 1xqq s THR 55 Cb -0.10 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 70.11 1xqq s THR 55 CO 0.18 -0.71 1.73 -0.07 -0.54 0.00 0.00 174.62 175.22 1xqq h LEU 56 N 0.01 0.27 -0.97 4.79 3.38 -1.36 -2.71 115.31 118.73 1xqq h LEU 56 Ca -0.46 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 56 Cb 1.23 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1xqq h LEU 56 CO 0.61 0.61 0.64 -1.28 0.09 0.00 0.00 178.44 179.11 1xqq h SER 57 N 0.23 1.12 -0.16 -0.43 0.87 -1.61 0.47 113.55 114.04 1xqq h SER 57 Ca 0.03 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1xqq h SER 57 Cb 0.73 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1xqq h SER 57 CO 0.06 0.81 0.09 -0.78 -0.53 0.00 0.00 176.83 176.47 1xqq h ASP 58 N 1.31 0.14 -0.05 6.23 3.58 -1.82 -3.03 116.42 122.78 1xqq h ASP 58 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1xqq h ASP 58 Cb -0.14 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1xqq h ASP 58 CO -0.08 0.10 0.00 -1.22 -2.88 0.00 0.00 179.24 175.17 1xqq n TYR 59 N -5.01 0.06 -2.27 0.28 4.01 -1.03 -4.92 117.16 108.28 1xqq n TYR 59 Ca -0.04 -0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.47 1xqq n TYR 59 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.48 -5.73 -4.69 7.72 4.13 -0.71 -4.98 115.26 110.52 1xqq n ASN 60 Ca 0.13 0.08 -0.42 0.00 1.68 0.00 0.00 54.58 56.05 1xqq n ASN 60 Cb 0.13 -4.82 -0.03 0.00 -1.54 0.00 0.00 39.78 33.52 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 -2.97 4.33 0.55 2.41 1.01 0.07 -5.00 121.20 121.61 1xqq s ILE 61 Ca 0.00 1.66 0.08 0.00 0.00 0.00 0.00 60.65 62.39 1xqq s ILE 61 Cb 0.00 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.49 1xqq s ILE 61 CO 0.00 0.04 0.67 0.00 0.00 0.00 0.00 174.94 175.64 1xqq n GLN 62 N 4.82 0.65 -2.65 2.79 1.13 -1.26 -4.44 117.38 118.41 1xqq n GLN 62 Ca 0.10 -3.08 -0.41 0.00 -1.94 0.00 0.00 57.00 51.67 1xqq n GLN 62 Cb 0.47 -0.07 -0.05 0.00 0.11 0.00 0.00 30.24 30.70 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -4.42 4.70 -0.43 -1.09 -2.85 -1.26 -3.71 119.74 110.67 1xqq s LYS 63 Ca 0.51 1.56 -0.00 0.00 -1.00 0.00 0.00 55.97 57.03 1xqq s LYS 63 Cb -0.04 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1xqq s LYS 63 CO 0.32 0.23 0.02 -1.91 0.10 0.00 0.00 175.35 174.11 1xqq n GLU 64 N 2.32 -0.51 -4.31 1.78 2.13 -0.70 -5.05 120.64 116.31 1xqq n GLU 64 Ca 0.01 0.25 -0.23 0.00 0.66 0.00 0.00 57.16 57.85 1xqq n GLU 64 Cb 0.48 -3.99 -0.07 0.00 0.27 0.00 0.00 31.44 28.12 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xqq s SER 65 N -2.79 4.47 -0.28 4.31 0.15 -1.24 -4.90 113.70 113.41 1xqq s SER 65 Ca 0.01 -0.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.92 1xqq s SER 65 Cb -0.00 -0.80 0.01 0.00 -1.71 0.00 0.00 66.02 63.51 1xqq s SER 65 CO 0.01 0.00 0.05 -0.89 1.20 0.00 0.00 173.24 173.62 1xqq s THR 66 N -2.34 3.80 0.38 6.45 2.01 -1.26 -1.04 115.64 123.64 1xqq s THR 66 Ca 0.31 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 1xqq s THR 66 Cb -0.06 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1xqq s THR 66 CO 0.20 0.12 0.68 -0.76 -0.69 0.00 0.00 174.62 174.16 1xqq s LEU 67 N 1.48 3.87 -0.29 4.42 1.43 0.15 -4.72 118.68 125.02 1xqq s LEU 67 Ca 0.02 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1xqq s LEU 67 Cb -0.17 -3.73 0.06 0.00 0.03 0.00 0.00 46.19 42.38 1xqq s LEU 67 CO 0.01 -0.37 -0.03 -1.00 0.23 0.00 0.00 176.35 175.20 1xqq s HIS 68 N -2.38 3.29 -0.36 0.29 3.76 -0.15 -1.05 115.29 118.68 1xqq s HIS 68 Ca 0.46 -2.05 -0.22 0.00 -0.15 0.00 0.00 55.06 53.11 1xqq s HIS 68 Cb -0.10 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.49 1xqq s HIS 68 CO 0.35 -0.83 0.70 -1.17 -0.85 0.00 0.00 174.74 172.94 1xqq s LEU 69 N 1.20 4.21 -0.11 0.89 2.96 0.59 -1.11 118.68 127.31 1xqq s LEU 69 Ca -0.06 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1xqq s LEU 69 Cb -0.20 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1xqq s LEU 69 CO -0.02 -0.67 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.51 1xqq s VAL 70 N 2.89 2.98 0.21 1.68 1.01 0.15 -0.78 120.40 128.55 1xqq s VAL 70 Ca 0.27 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1xqq s VAL 70 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1xqq s VAL 70 CO 0.16 0.54 -0.04 -0.76 0.00 0.00 0.00 175.10 175.00 1xqq s LEU 71 N 0.10 3.14 0.28 3.92 1.43 -1.26 -0.29 118.68 125.99 1xqq s LEU 71 Ca -0.06 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.23 1xqq s LEU 71 Cb -0.15 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 1xqq s LEU 71 CO 0.05 0.06 0.87 0.00 0.23 0.00 0.00 176.35 177.56 1xqq s ARG 72 N -3.16 4.51 -0.10 1.70 1.70 -1.21 -4.97 118.95 117.40 1xqq s ARG 72 Ca 0.28 1.20 -0.20 0.00 -0.47 0.00 0.00 55.73 56.54 1xqq s ARG 72 Cb -0.08 -2.89 -0.27 0.00 -0.57 0.00 0.00 34.95 31.14 1xqq s ARG 72 CO 0.18 0.35 0.64 1.25 -1.08 0.00 0.00 175.30 176.64 1xqq h LEU 73 N 3.40 0.32 -7.00 -1.89 5.85 -1.95 -3.49 115.31 110.54 1xqq h LEU 73 Ca -0.47 -0.86 -0.04 0.00 0.84 0.00 0.00 57.88 57.35 1xqq h LEU 73 Cb 1.19 -0.10 -0.21 0.00 0.37 0.00 0.00 40.66 41.91 1xqq h LEU 73 CO 0.65 1.47 0.13 -0.13 -0.34 0.00 0.00 178.44 180.22 1xqq s ARG 74 N -2.42 0.85 0.00 1.25 1.81 -1.26 -5.03 118.95 114.15 1xqq s ARG 74 Ca -0.19 0.94 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 1xqq s ARG 74 Cb 0.03 0.42 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1xqq s ARG 74 CO 0.76 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.67 1xqq n GLY 75 N 2.55 2.31 0.00 -3.53 0.00 -1.26 -5.25 105.19 100.01 1xqq n GLY 75 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93