#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 4.18 0.15 3.17 -2.07 -1.26 -1.61 119.66 122.22 1xqq s GLN 2 Ca 0.00 -0.03 0.06 0.00 -1.82 0.00 0.00 55.36 53.57 1xqq s GLN 2 Cb 0.00 -3.41 -0.04 0.00 -1.09 0.00 0.00 33.01 28.47 1xqq s GLN 2 CO 0.00 0.30 -0.13 0.96 -1.32 0.00 0.00 175.29 175.10 1xqq s ILE 3 N 0.31 1.35 -0.00 3.63 -4.36 -0.01 -0.34 121.20 121.78 1xqq s ILE 3 Ca 0.13 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.61 1xqq s ILE 3 Cb -0.12 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 1xqq s ILE 3 CO 0.02 -0.57 -0.08 -0.36 0.24 0.00 0.00 174.94 174.19 1xqq s PHE 4 N -2.74 2.86 -0.13 1.37 0.08 -0.61 -1.67 117.98 117.15 1xqq s PHE 4 Ca 0.14 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.17 1xqq s PHE 4 Cb -0.01 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1xqq s PHE 4 CO 0.03 0.35 -0.21 0.08 -0.10 0.00 0.00 175.22 175.38 1xqq s VAL 5 N -0.96 2.28 -0.17 -0.44 1.01 0.28 -0.37 120.40 122.02 1xqq s VAL 5 Ca 0.16 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1xqq s VAL 5 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1xqq s VAL 5 CO 0.06 0.54 0.02 -0.75 0.00 0.00 0.00 175.10 174.98 1xqq s LYS 6 N 0.59 3.83 0.49 2.72 2.20 0.82 -0.99 119.74 129.39 1xqq s LYS 6 Ca -0.12 -0.43 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1xqq s LYS 6 Cb -0.16 -3.09 0.11 0.00 -1.51 0.00 0.00 37.83 33.17 1xqq s LYS 6 CO 0.03 0.24 0.67 0.25 -0.36 0.00 0.00 175.35 176.18 1xqq n THR 7 N 3.60 0.00 -0.19 3.43 -2.24 -0.23 -2.37 114.28 116.28 1xqq n THR 7 Ca -0.17 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 1xqq n THR 7 Cb 0.52 -1.62 0.01 0.00 -2.10 0.00 0.00 70.33 67.14 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 1.05 -0.97 3.22 5.85 -1.88 -3.22 115.31 119.36 1xqq h LEU 8 Ca -0.22 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1xqq h LEU 8 Cb 0.63 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1xqq h LEU 8 CO 0.17 1.15 -0.14 0.71 -0.34 0.00 0.00 178.44 179.98 1xqq h THR 9 N 0.94 0.31 -0.18 1.05 1.35 -1.99 -3.45 112.91 110.94 1xqq h THR 9 Ca 0.15 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1xqq h THR 9 Cb 0.66 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1xqq h THR 9 CO 0.05 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1xqq n GLY 10 N 0.34 0.96 3.57 5.82 0.00 -1.22 -5.09 105.19 109.58 1xqq n GLY 10 Ca 0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.77 3.87 -0.33 1.61 2.20 -1.26 -4.96 119.74 120.10 1xqq s LYS 11 Ca 0.00 -0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 55.04 1xqq s LYS 11 Cb 0.00 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1xqq s LYS 11 CO 0.00 0.13 0.48 0.99 -0.36 0.00 0.00 175.35 176.60 1xqq s THR 12 N 0.75 5.06 0.08 3.43 2.01 -1.26 -1.07 115.64 124.63 1xqq s THR 12 Ca 0.03 0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.53 1xqq s THR 12 Cb -0.13 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1xqq s THR 12 CO 0.02 -0.11 -0.11 0.27 -0.69 0.00 0.00 174.62 174.00 1xqq s ILE 13 N 2.31 3.32 -0.19 1.82 -4.36 -0.17 -4.95 121.20 118.98 1xqq s ILE 13 Ca 0.18 -1.19 -0.11 0.00 -0.26 0.00 0.00 60.65 59.27 1xqq s ILE 13 Cb -0.16 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.99 1xqq s ILE 13 CO 0.12 0.19 0.18 -0.89 0.24 0.00 0.00 174.94 174.78 1xqq s THR 14 N -1.14 5.37 -0.06 8.37 2.01 -1.26 -0.56 115.64 128.38 1xqq s THR 14 Ca 0.20 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1xqq s THR 14 Cb -0.11 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1xqq s THR 14 CO 0.11 0.41 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.62 1xqq s LEU 15 N 0.49 1.44 -0.84 4.42 1.43 -0.67 -5.00 118.68 119.95 1xqq s LEU 15 Ca 0.11 -0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 15 Cb -0.12 -0.63 0.09 0.00 0.03 0.00 0.00 46.19 45.56 1xqq s LEU 15 CO 0.00 -0.02 1.13 -1.61 0.23 0.00 0.00 176.35 176.08 1xqq s GLU 16 N 0.88 3.41 0.19 1.70 2.02 -1.26 -0.83 118.70 124.81 1xqq s GLU 16 Ca -0.11 -1.27 0.11 0.00 0.02 0.00 0.00 54.97 53.71 1xqq s GLU 16 Cb -0.15 -4.71 -0.04 0.00 0.10 0.00 0.00 34.13 29.33 1xqq s GLU 16 CO 0.01 -1.87 -0.23 0.14 0.02 0.00 0.00 175.26 173.33 1xqq s VAL 17 N 3.65 2.24 0.15 2.63 -7.23 -0.63 -4.86 120.40 116.35 1xqq s VAL 17 Ca 0.31 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1xqq s VAL 17 Cb -0.08 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.71 1xqq s VAL 17 CO -0.02 -0.17 0.74 -1.61 -0.31 0.00 0.00 175.10 173.74 1xqq s GLU 18 N -2.72 4.51 0.00 4.82 2.02 -1.26 -1.62 118.70 124.45 1xqq s GLU 18 Ca 0.20 1.09 0.31 0.00 0.02 0.00 0.00 54.97 56.59 1xqq s GLU 18 Cb -0.07 -3.25 1.66 0.00 0.10 0.00 0.00 34.13 32.57 1xqq s GLU 18 CO 0.09 0.58 2.11 -0.35 0.02 0.00 0.00 175.26 177.72 1xqq n PRO 19 N 1.59 0.64 0.09 0.39 -0.04 -1.26 -3.38 135.00 133.03 1xqq n PRO 19 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1xqq n PRO 19 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xqq h SER 20 N 0.00 0.00 -3.92 3.54 0.02 -1.97 -1.52 113.55 109.70 1xqq h SER 20 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1xqq h SER 20 Cb 0.18 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.77 1xqq h SER 20 CO 0.00 0.60 0.25 -1.81 -1.14 0.00 0.00 176.83 174.73 1xqq s ASP 21 N -6.23 5.79 0.73 3.07 1.01 -1.22 -4.83 116.67 114.99 1xqq s ASP 21 Ca 0.01 0.95 -0.12 0.00 0.71 0.00 0.00 52.55 54.10 1xqq s ASP 21 Cb 0.08 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 42.07 1xqq s ASP 21 CO 0.78 -0.99 1.10 0.42 0.21 0.00 0.00 175.17 176.68 1xqq s THR 22 N -3.05 3.34 0.47 -1.27 -4.23 -1.26 -3.16 115.64 106.48 1xqq s THR 22 Ca 0.54 0.50 0.41 0.00 -1.18 0.00 0.00 61.69 61.96 1xqq s THR 22 Cb -0.11 -3.01 0.43 0.00 1.34 0.00 0.00 72.50 71.15 1xqq s THR 22 CO 0.48 -0.50 2.24 0.40 -0.54 0.00 0.00 174.62 176.69 1xqq h ILE 23 N -0.67 0.00 0.00 2.99 1.08 -1.15 -2.78 117.51 116.99 1xqq h ILE 23 Ca -0.45 -0.18 -0.12 0.00 -0.39 0.00 0.00 64.86 63.73 1xqq h ILE 23 Cb 1.24 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1xqq h ILE 23 CO 0.53 0.00 -0.55 -0.08 -0.69 0.00 0.00 178.15 177.36 1xqq h GLU 24 N 0.00 0.00 -0.15 2.37 4.57 -1.63 -2.90 114.58 116.84 1xqq h GLU 24 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1xqq h GLU 24 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1xqq h GLU 24 CO 0.00 0.55 -0.47 -0.97 -1.18 0.00 0.00 179.01 176.94 1xqq h ASN 25 N 0.00 0.41 -0.28 1.04 -1.24 -1.80 -3.21 115.58 110.50 1xqq h ASN 25 Ca -0.01 -0.19 0.06 0.00 0.71 0.00 0.00 56.30 56.87 1xqq h ASN 25 Cb 1.17 -0.12 -0.08 0.00 0.73 0.00 0.00 38.32 40.02 1xqq h ASN 25 CO 0.07 0.82 -0.42 0.58 -1.29 0.00 0.00 177.43 177.19 1xqq h VAL 26 N 0.30 0.13 -0.20 2.57 2.07 -1.44 -3.06 116.25 116.62 1xqq h VAL 26 Ca 0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1xqq h VAL 26 Cb 0.95 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xqq h VAL 26 CO 0.08 0.00 0.19 0.11 0.02 0.00 0.00 177.57 177.97 1xqq h LYS 27 N -0.40 0.00 -0.43 1.57 1.57 -1.55 0.10 116.57 117.42 1xqq h LYS 27 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 27 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1xqq h LYS 27 CO -0.49 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.38 1xqq h ALA 28 N 1.82 1.18 0.09 3.86 0.00 -1.67 -1.28 119.26 123.25 1xqq h ALA 28 Ca 0.10 -0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 1xqq h ALA 28 Cb 0.47 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xqq h ALA 28 CO -0.00 0.54 -1.14 0.87 0.00 0.00 0.00 179.25 179.51 1xqq h LYS 29 N 0.66 0.35 -0.12 0.00 1.57 -0.92 -0.76 116.57 117.35 1xqq h LYS 29 Ca 0.13 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 1xqq h LYS 29 Cb 0.43 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xqq h LYS 29 CO 0.02 1.19 -0.35 0.82 -0.57 0.00 0.00 179.45 180.56 1xqq h ILE 30 N 0.14 1.28 0.35 1.86 2.04 -1.42 -0.18 117.51 121.58 1xqq h ILE 30 Ca -0.12 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1xqq h ILE 30 Cb 1.83 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1xqq h ILE 30 CO 0.19 0.40 -0.17 -0.61 0.00 0.00 0.00 178.15 177.97 1xqq h GLN 31 N 0.20 -0.45 -0.05 2.37 4.15 -1.01 -0.23 115.11 120.09 1xqq h GLN 31 Ca 0.02 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xqq h GLN 31 Cb 0.71 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 1xqq h GLN 31 CO 0.05 -0.13 0.07 0.22 -1.93 0.00 0.00 178.83 177.11 1xqq h ASP 32 N -0.92 0.00 0.00 -0.69 3.58 -0.99 -0.26 116.42 117.14 1xqq h ASP 32 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1xqq h ASP 32 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1xqq h ASP 32 CO 0.08 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.73 1xqq n LYS 33 N -3.64 0.00 -0.40 0.28 5.02 -0.09 -4.73 118.16 114.60 1xqq n LYS 33 Ca -0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1xqq n LYS 33 Cb 0.16 -0.51 0.32 0.00 -0.02 0.00 0.00 35.03 34.98 1xqq n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xqq n GLU 34 N -0.47 2.80 -0.86 1.97 -0.58 -0.10 -4.91 120.64 118.49 1xqq n GLU 34 Ca 0.00 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 1xqq n GLU 34 Cb 0.00 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 1.56 0.80 3.63 0.62 0.00 -0.12 -5.01 105.19 106.68 1xqq n GLY 35 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.11 4.30 0.38 -0.61 1.01 -1.24 -4.97 121.20 116.95 1xqq s ILE 36 Ca 0.00 1.48 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 1xqq s ILE 36 Cb 0.00 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1xqq s ILE 36 CO 0.00 -0.48 1.25 -2.84 0.00 0.00 0.00 174.94 172.87 1xqq s PRO 37 N 3.93 4.12 0.61 2.79 0.02 -1.26 -3.76 135.00 141.45 1xqq s PRO 37 Ca 0.52 2.05 0.37 0.00 0.02 0.00 0.00 61.00 63.96 1xqq s PRO 37 Cb -0.15 -2.83 1.96 0.00 0.02 0.00 0.00 34.50 33.51 1xqq s PRO 37 CO 0.20 -0.33 2.23 -1.35 -0.33 0.00 0.00 177.00 177.42 1xqq h PRO 38 N 2.89 0.00 -0.95 5.54 0.11 -1.95 -2.30 132.00 135.35 1xqq h PRO 38 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1xqq h PRO 38 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1xqq h PRO 38 CO 0.63 0.02 0.61 -0.44 -0.21 0.00 0.00 178.00 178.62 1xqq h ASP 39 N 0.00 0.93 -0.00 -2.05 3.32 -1.97 -3.24 116.42 113.40 1xqq h ASP 39 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xqq h ASP 39 Cb 0.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xqq h ASP 39 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1xqq n GLN 40 N -4.52 1.01 -3.94 3.56 6.02 -0.86 -4.69 117.38 113.96 1xqq n GLN 40 Ca 0.15 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.77 1xqq n GLN 40 Cb 0.24 -1.14 -0.14 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.99 3.12 -0.16 -1.09 -0.21 -1.22 -1.59 119.66 116.51 1xqq s GLN 41 Ca 0.13 -0.79 -0.00 0.00 0.02 0.00 0.00 55.36 54.72 1xqq s GLN 41 Cb 0.06 -2.97 0.04 0.00 1.00 0.00 0.00 33.01 31.14 1xqq s GLN 41 CO 0.10 -0.29 -0.06 0.50 -2.12 0.00 0.00 175.29 173.42 1xqq s ARG 42 N 1.40 1.51 -0.18 2.91 3.52 -0.90 -4.76 118.95 122.45 1xqq s ARG 42 Ca 0.04 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1xqq s ARG 42 Cb -0.15 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1xqq s ARG 42 CO -0.05 -0.41 0.46 -0.51 -0.81 0.00 0.00 175.30 173.98 1xqq s LEU 43 N 1.62 4.18 -0.20 -0.88 1.43 -1.26 -0.93 118.68 122.63 1xqq s LEU 43 Ca 0.01 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 1xqq s LEU 43 Cb -0.15 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1xqq s LEU 43 CO -0.08 -0.10 0.05 -0.63 0.23 0.00 0.00 176.35 175.83 1xqq s ILE 44 N 1.28 4.48 -0.23 -0.59 -1.09 -0.05 -2.13 121.20 122.88 1xqq s ILE 44 Ca 0.22 -0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 1xqq s ILE 44 Cb -0.15 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1xqq s ILE 44 CO 0.09 0.42 -0.01 0.12 -1.23 0.00 0.00 174.94 174.33 1xqq s PHE 45 N 0.86 3.00 0.00 3.97 5.36 -0.56 -2.08 117.98 128.52 1xqq s PHE 45 Ca 0.03 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 1xqq s PHE 45 Cb -0.14 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1xqq s PHE 45 CO 0.02 -0.49 0.00 0.00 -1.46 0.00 0.00 175.22 173.29 1xqq n ALA 46 N 4.83 0.00 -0.82 11.12 0.00 -1.26 0.27 120.51 134.65 1xqq n ALA 46 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 0.75 3.79 0.00 0.00 -1.26 -5.04 105.19 103.43 1xqq n GLY 47 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 4.08 -0.68 1.61 2.20 0.14 -5.05 119.74 121.27 1xqq s LYS 48 Ca 0.05 0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 55.77 1xqq s LYS 48 Cb 0.04 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1xqq s LYS 48 CO 0.00 0.48 1.56 -1.14 -0.36 0.00 0.00 175.35 175.90 1xqq s GLN 49 N -0.39 2.92 0.25 4.03 0.74 -1.26 -1.50 119.66 124.44 1xqq s GLN 49 Ca 0.23 0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.51 1xqq s GLN 49 Cb -0.16 -4.29 -0.09 0.00 1.10 0.00 0.00 33.01 29.57 1xqq s GLN 49 CO 0.11 -2.44 1.27 -0.51 -0.55 0.00 0.00 175.29 173.17 1xqq s LEU 50 N 7.36 4.44 -0.11 3.68 1.43 -0.91 -4.99 118.68 129.58 1xqq s LEU 50 Ca 0.51 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.95 1xqq s LEU 50 Cb -0.10 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1xqq s LEU 50 CO 0.18 -0.46 0.24 -1.61 0.23 0.00 0.00 176.35 174.93 1xqq s GLU 51 N -0.82 3.85 0.31 1.70 2.02 -1.26 -4.72 118.70 119.79 1xqq s GLU 51 Ca 0.52 0.04 0.10 0.00 0.02 0.00 0.00 54.97 55.65 1xqq s GLU 51 Cb -0.36 -3.29 0.50 0.00 0.10 0.00 0.00 34.13 31.08 1xqq s GLU 51 CO 0.43 0.56 1.71 -0.44 0.02 0.00 0.00 175.26 177.53 1xqq h ASP 52 N 5.57 0.08 -0.27 -0.19 5.19 -1.94 -2.62 116.42 122.24 1xqq h ASP 52 Ca -0.49 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 55.82 1xqq h ASP 52 Cb 1.20 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 1xqq h ASP 52 CO 0.66 0.55 0.09 0.61 -3.12 0.00 0.00 179.24 178.02 1xqq n GLY 53 N -0.11 2.37 3.57 2.75 0.00 -1.26 -1.80 105.19 110.72 1xqq n GLY 53 Ca -0.02 -0.37 -0.27 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 -1.52 1.92 0.45 1.61 0.52 -0.99 -4.97 118.95 115.97 1xqq s ARG 54 Ca 0.21 -2.15 0.03 0.00 -0.52 0.00 0.00 55.73 53.31 1xqq s ARG 54 Cb 0.17 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.57 1xqq s ARG 54 CO 0.05 -0.30 0.64 0.95 0.02 0.00 0.00 175.30 176.67 1xqq s THR 55 N -3.07 3.41 0.22 0.02 -4.23 -1.26 -1.47 115.64 109.25 1xqq s THR 55 Ca 0.25 -0.76 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1xqq s THR 55 Cb 0.05 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.83 1xqq s THR 55 CO 0.13 -0.13 1.81 -0.07 -0.54 0.00 0.00 174.62 175.82 1xqq h LEU 56 N 0.45 0.57 -2.68 4.79 4.07 -1.64 -2.67 115.31 118.21 1xqq h LEU 56 Ca -0.44 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1xqq h LEU 56 Cb 1.27 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1xqq h LEU 56 CO 0.52 0.36 0.00 0.77 -1.08 0.00 0.00 178.44 179.01 1xqq h SER 57 N 0.71 0.00 0.16 -0.43 4.64 -1.55 0.44 113.55 117.52 1xqq h SER 57 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1xqq h SER 57 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1xqq h SER 57 CO -0.20 0.00 -0.13 -0.78 -0.87 0.00 0.00 176.83 174.85 1xqq h ASP 58 N 0.00 -0.34 0.78 4.97 1.82 -1.78 -3.28 116.42 118.59 1xqq h ASP 58 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1xqq h ASP 58 Cb 0.05 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1xqq h ASP 58 CO 0.00 -0.21 -0.56 -1.22 -1.61 0.00 0.00 179.24 175.65 1xqq n TYR 59 N -5.25 0.38 -2.11 0.28 4.01 -1.14 -4.97 117.16 108.37 1xqq n TYR 59 Ca -0.08 0.11 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 1xqq n TYR 59 Cb 0.17 -0.54 0.02 0.00 -0.31 0.00 0.00 39.34 38.68 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 -1.92 -3.15 -4.65 7.72 4.13 0.10 -4.98 115.26 112.51 1xqq n ASN 60 Ca 0.04 -0.21 -0.41 0.00 1.68 0.00 0.00 54.58 55.68 1xqq n ASN 60 Cb 0.41 -1.93 -0.05 0.00 -1.54 0.00 0.00 39.78 36.67 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 -3.12 4.89 0.50 2.41 1.01 -0.94 -5.01 121.20 120.93 1xqq s ILE 61 Ca 0.11 1.50 0.07 0.00 0.00 0.00 0.00 60.65 62.33 1xqq s ILE 61 Cb -0.01 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.39 1xqq s ILE 61 CO 0.22 -0.01 0.46 -1.10 0.00 0.00 0.00 174.94 174.51 1xqq s GLN 62 N 2.47 2.37 0.32 2.79 -0.21 -1.26 -4.70 119.66 121.44 1xqq s GLN 62 Ca 0.34 -1.76 -0.29 0.00 0.02 0.00 0.00 55.36 53.67 1xqq s GLN 62 Cb -0.16 -2.30 -0.12 0.00 1.00 0.00 0.00 33.01 31.44 1xqq s GLN 62 CO 0.09 -0.49 1.51 0.36 -2.12 0.00 0.00 175.29 174.64 1xqq n LYS 63 N -1.75 2.55 -0.78 2.91 2.85 -1.26 -3.38 118.16 119.29 1xqq n LYS 63 Ca 0.03 0.90 0.00 0.00 -1.05 0.00 0.00 58.31 58.19 1xqq n LYS 63 Cb 0.63 -2.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.38 1xqq n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xqq n GLU 64 N 1.45 0.00 -2.36 -1.58 2.13 0.54 -5.02 120.64 115.80 1xqq n GLU 64 Ca 0.06 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.47 1xqq n GLU 64 Cb 0.37 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 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 -2.26 7.06 -0.48 4.31 0.15 -1.22 -4.57 113.70 116.69 1xqq s SER 65 Ca 0.00 2.23 -0.13 0.00 0.70 0.00 0.00 55.95 58.75 1xqq s SER 65 Cb 0.00 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.80 1xqq s SER 65 CO 0.00 -0.40 0.39 -0.89 1.20 0.00 0.00 173.24 173.54 1xqq s THR 66 N 0.10 4.89 0.24 6.45 2.01 -1.26 -1.57 115.64 126.49 1xqq s THR 66 Ca 0.54 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1xqq s THR 66 Cb -0.33 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1xqq s THR 66 CO 0.36 -0.67 0.37 -0.76 -0.69 0.00 0.00 174.62 173.23 1xqq s LEU 67 N 1.55 4.30 -0.10 4.42 1.43 0.50 -4.86 118.68 125.92 1xqq s LEU 67 Ca 0.04 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1xqq s LEU 67 Cb -0.26 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1xqq s LEU 67 CO 0.04 -0.07 0.11 -2.28 0.23 0.00 0.00 176.35 174.37 1xqq s HIS 68 N -1.98 3.48 -0.14 0.29 5.65 -0.88 -0.13 115.29 121.59 1xqq s HIS 68 Ca 0.34 0.42 -0.06 0.00 0.25 0.00 0.00 55.06 56.02 1xqq s HIS 68 Cb -0.09 -1.89 -0.04 0.00 -1.18 0.00 0.00 32.58 29.38 1xqq s HIS 68 CO 0.29 0.66 0.09 -1.17 -0.65 0.00 0.00 174.74 173.97 1xqq s LEU 69 N -1.12 4.08 0.32 8.88 2.96 -1.00 -0.87 118.68 131.93 1xqq s LEU 69 Ca 0.16 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1xqq s LEU 69 Cb -0.12 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1xqq s LEU 69 CO 0.05 0.33 0.16 0.68 -1.32 0.00 0.00 176.35 176.25 1xqq s VAL 70 N -0.54 0.40 -0.07 1.68 -7.23 -0.10 -4.55 120.40 109.99 1xqq s VAL 70 Ca 0.11 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 1xqq s VAL 70 Cb -0.12 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1xqq s VAL 70 CO 0.02 0.00 0.89 -0.22 -0.31 0.00 0.00 175.10 175.49 1xqq s LEU 71 N -3.42 4.29 -0.15 1.32 2.96 -1.26 -2.12 118.68 120.31 1xqq s LEU 71 Ca 0.34 1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 55.48 1xqq s LEU 71 Cb 0.05 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1xqq s LEU 71 CO 0.17 -0.29 0.58 -0.60 -1.32 0.00 0.00 176.35 174.90 1xqq s ARG 72 N 1.39 4.30 0.32 1.98 3.52 -0.62 -4.76 118.95 125.08 1xqq s ARG 72 Ca 0.45 0.60 -0.05 0.00 -0.13 0.00 0.00 55.73 56.60 1xqq s ARG 72 Cb -0.19 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.65 1xqq s ARG 72 CO 0.21 -0.04 0.59 -0.51 -0.81 0.00 0.00 175.30 174.73 1xqq s LEU 73 N 1.26 3.99 -0.28 -0.88 1.43 -1.26 -4.61 118.68 118.32 1xqq s LEU 73 Ca 0.29 0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 53.85 1xqq s LEU 73 Cb -0.16 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1xqq s LEU 73 CO 0.12 -0.26 0.94 -0.60 0.23 0.00 0.00 176.35 176.78 1xqq s ARG 74 N -3.80 4.09 0.00 1.70 3.52 -1.26 -4.65 118.95 118.56 1xqq s ARG 74 Ca 0.44 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1xqq s ARG 74 Cb -0.10 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1xqq s ARG 74 CO 0.32 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 1xqq n GLY 75 N 3.84 -0.03 0.00 8.12 0.00 -1.26 -5.30 105.19 110.56 1xqq n GLY 75 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93