#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 2.71 0.04 3.17 -0.21 -1.26 -0.39 119.66 123.73 1xqq s GLN 2 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1xqq s GLN 2 Cb 0.00 -2.51 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1xqq s GLN 2 CO 0.00 0.45 -0.04 0.96 -2.12 0.00 0.00 175.29 174.54 1xqq s ILE 3 N -1.84 0.30 -0.19 1.08 -4.36 -0.92 -0.19 121.20 115.07 1xqq s ILE 3 Ca 0.30 -1.37 -0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1xqq s ILE 3 Cb -0.09 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.67 1xqq s ILE 3 CO 0.22 -0.69 0.02 -0.36 0.24 0.00 0.00 174.94 174.37 1xqq s PHE 4 N -2.52 3.10 -0.33 1.37 0.08 0.06 -0.38 117.98 119.36 1xqq s PHE 4 Ca -0.04 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 1xqq s PHE 4 Cb -0.02 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1xqq s PHE 4 CO -0.04 -0.09 0.07 0.08 -0.10 0.00 0.00 175.22 175.14 1xqq s VAL 5 N 0.76 3.41 -0.11 -0.44 1.01 0.29 -0.43 120.40 124.89 1xqq s VAL 5 Ca 0.01 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 1xqq s VAL 5 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1xqq s VAL 5 CO 0.02 -0.21 0.26 -0.54 0.00 0.00 0.00 175.10 174.63 1xqq s LYS 6 N 1.31 3.91 0.88 2.72 1.02 0.19 -1.11 119.74 128.66 1xqq s LYS 6 Ca -0.02 0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 1xqq s LYS 6 Cb -0.20 -3.30 0.12 0.00 -0.52 0.00 0.00 37.83 33.93 1xqq s LYS 6 CO 0.00 0.53 1.18 0.95 -0.92 0.00 0.00 175.35 177.09 1xqq s THR 7 N -0.40 1.99 0.13 2.17 -4.23 -0.85 -0.94 115.64 113.51 1xqq s THR 7 Ca 0.17 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.40 1xqq s THR 7 Cb -0.13 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 1xqq s THR 7 CO 0.06 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 175.98 1xqq h LEU 8 N -1.35 -1.16 0.00 4.79 5.85 -1.90 -3.38 115.31 118.15 1xqq h LEU 8 Ca -0.48 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xqq h LEU 8 Cb 1.32 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1xqq h LEU 8 CO 0.60 -0.42 0.00 0.35 -0.34 0.00 0.00 178.44 178.63 1xqq n THR 9 N -5.43 0.00 -2.65 1.05 -2.24 -1.26 -5.01 114.28 98.74 1xqq n THR 9 Ca -0.05 0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 62.05 1xqq n THR 9 Cb 0.35 -1.14 0.03 0.00 -2.10 0.00 0.00 70.33 67.46 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 2.04 -0.11 3.67 3.38 0.00 -1.26 -5.13 105.19 107.79 1xqq n GLY 10 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 0.07 2.43 -0.03 1.61 2.20 -1.26 -5.01 119.74 119.74 1xqq s LYS 11 Ca 0.07 -1.17 0.03 0.00 -0.36 0.00 0.00 55.97 54.55 1xqq s LYS 11 Cb 0.16 -2.33 -0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1xqq s LYS 11 CO -0.04 0.43 -0.13 0.99 -0.36 0.00 0.00 175.35 176.24 1xqq s THR 12 N -1.89 1.10 -0.23 3.43 2.01 -1.26 -2.00 115.64 116.80 1xqq s THR 12 Ca 0.29 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 12 Cb -0.09 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1xqq s THR 12 CO 0.19 0.33 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 1xqq s ILE 13 N 0.09 1.97 -0.51 1.82 1.01 -0.27 -4.96 121.20 120.35 1xqq s ILE 13 Ca -0.03 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.07 1xqq s ILE 13 Cb -0.10 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.39 1xqq s ILE 13 CO 0.01 0.12 0.84 -0.89 0.00 0.00 0.00 174.94 175.02 1xqq s THR 14 N 1.23 4.55 -0.30 2.92 2.01 -1.26 -0.55 115.64 124.23 1xqq s THR 14 Ca -0.04 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1xqq s THR 14 Cb -0.18 -4.43 0.03 0.00 0.01 0.00 0.00 72.50 67.93 1xqq s THR 14 CO -0.07 -0.93 0.05 -0.76 -0.69 0.00 0.00 174.62 172.21 1xqq s LEU 15 N 3.53 3.92 -0.29 4.42 1.43 0.49 -4.96 118.68 127.22 1xqq s LEU 15 Ca 0.28 -0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 1xqq s LEU 15 Cb -0.13 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1xqq s LEU 15 CO 0.19 -0.24 0.91 -0.70 0.23 0.00 0.00 176.35 176.74 1xqq s GLU 16 N 1.40 4.06 0.34 1.70 2.12 -1.26 -2.16 118.70 124.91 1xqq s GLU 16 Ca -0.01 0.88 0.05 0.00 0.36 0.00 0.00 54.97 56.26 1xqq s GLU 16 Cb -0.18 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1xqq s GLU 16 CO 0.01 -0.71 0.21 0.14 -0.54 0.00 0.00 175.26 174.37 1xqq s VAL 17 N 3.17 0.21 0.28 3.70 -7.23 0.48 -4.97 120.40 116.04 1xqq s VAL 17 Ca 0.38 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.66 1xqq s VAL 17 Cb -0.14 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 1xqq s VAL 17 CO 0.12 0.00 -0.13 -1.83 -0.31 0.00 0.00 175.10 172.95 1xqq s GLU 18 N -3.61 1.91 0.00 4.82 -1.05 -1.26 -1.19 118.70 118.31 1xqq s GLU 18 Ca 0.35 -1.65 0.29 0.00 -0.15 0.00 0.00 54.97 53.82 1xqq s GLU 18 Cb 0.03 -1.91 1.42 0.00 -0.44 0.00 0.00 34.13 33.23 1xqq s GLU 18 CO 0.22 0.34 2.00 -0.35 0.95 0.00 0.00 175.26 178.41 1xqq n PRO 19 N -0.72 0.31 0.00 -4.83 -0.04 -1.26 -1.73 135.00 126.72 1xqq n PRO 19 Ca -0.05 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1xqq n PRO 19 Cb 0.60 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.94 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.34 0.67 -4.67 3.54 7.64 -1.26 -3.53 113.62 114.67 1xqq n SER 20 Ca 0.12 -0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.22 1xqq n SER 20 Cb 0.26 0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.72 2.48 0.33 6.43 1.01 -0.71 -4.63 116.67 118.86 1xqq s ASP 21 Ca 0.19 1.18 0.08 0.00 0.71 0.00 0.00 52.55 54.71 1xqq s ASP 21 Cb 0.19 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 1xqq s ASP 21 CO 0.58 -3.22 0.24 0.42 0.21 0.00 0.00 175.17 173.41 1xqq s THR 22 N -2.95 3.40 0.17 -1.27 -4.23 -1.26 -0.85 115.64 108.65 1xqq s THR 22 Ca 0.66 -1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1xqq s THR 22 Cb -0.19 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.59 1xqq s THR 22 CO 0.58 -0.18 1.75 0.40 -0.54 0.00 0.00 174.62 176.63 1xqq h ILE 23 N 1.35 0.85 -0.26 2.99 1.08 -1.47 -2.27 117.51 119.79 1xqq h ILE 23 Ca -0.44 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1xqq h ILE 23 Cb 1.25 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 1xqq h ILE 23 CO 0.60 0.06 0.12 -0.08 -0.69 0.00 0.00 178.15 178.15 1xqq h GLU 24 N 0.32 0.35 -0.38 2.37 4.81 -1.68 0.13 114.58 120.50 1xqq h GLU 24 Ca 0.21 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1xqq h GLU 24 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xqq h GLU 24 CO -0.22 0.28 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.31 1xqq h ASN 25 N 0.35 0.72 0.32 1.04 -0.73 -1.78 -2.06 115.58 113.43 1xqq h ASN 25 Ca 0.09 -0.35 -0.06 0.00 1.87 0.00 0.00 56.30 57.86 1xqq h ASN 25 Cb 0.05 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1xqq h ASN 25 CO -0.01 0.89 -0.27 0.58 -0.37 0.00 0.00 177.43 178.25 1xqq h VAL 26 N 0.53 1.12 -0.10 2.57 2.07 -0.73 -2.43 116.25 119.29 1xqq h VAL 26 Ca 0.10 -0.96 -0.17 0.00 0.82 0.00 0.00 66.70 66.49 1xqq h VAL 26 Cb 0.56 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1xqq h VAL 26 CO 0.03 0.27 -0.66 0.11 0.02 0.00 0.00 177.57 177.33 1xqq h LYS 27 N 0.00 0.39 -0.51 1.57 1.57 -0.76 -3.05 116.57 115.78 1xqq h LYS 27 Ca -0.00 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1xqq h LYS 27 Cb 0.50 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1xqq h LYS 27 CO 0.04 0.92 0.34 0.00 -0.57 0.00 0.00 179.45 180.17 1xqq h ALA 28 N 1.01 1.66 0.09 3.86 0.00 -0.98 0.13 119.26 125.03 1xqq h ALA 28 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xqq h ALA 28 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xqq h ALA 28 CO 0.11 0.30 -0.13 0.87 0.00 0.00 0.00 179.25 180.41 1xqq h LYS 29 N 0.66 -0.25 -0.94 0.00 1.57 -1.36 -2.33 116.57 113.92 1xqq h LYS 29 Ca 0.19 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xqq h LYS 29 Cb -0.04 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1xqq h LYS 29 CO -0.04 -0.17 0.59 0.82 -0.57 0.00 0.00 179.45 180.08 1xqq h ILE 30 N -0.26 1.25 -0.53 1.86 2.04 -1.38 -2.04 117.51 118.45 1xqq h ILE 30 Ca 0.02 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.46 1xqq h ILE 30 Cb 0.27 -0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.16 1xqq h ILE 30 CO -0.06 0.26 -0.05 -0.61 0.00 0.00 0.00 178.15 177.69 1xqq h GLN 31 N 1.29 0.07 -0.24 2.37 4.15 -0.99 -1.60 115.11 120.16 1xqq h GLN 31 Ca 0.34 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 1xqq h GLN 31 Cb -0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1xqq h GLN 31 CO -0.07 0.05 0.04 0.22 -1.93 0.00 0.00 178.83 177.14 1xqq h ASP 32 N 0.07 0.38 0.00 -0.69 3.58 -0.82 -3.05 116.42 115.89 1xqq h ASP 32 Ca 0.27 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xqq h ASP 32 Cb 0.41 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1xqq h ASP 32 CO -0.48 0.54 0.00 0.29 -2.88 0.00 0.00 179.24 176.71 1xqq n LYS 33 N -4.70 0.00 0.26 0.28 5.02 -0.83 -4.51 118.16 113.69 1xqq n LYS 33 Ca -0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1xqq n LYS 33 Cb 0.20 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.36 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 -0.67 0.00 1.97 4.39 -1.49 -3.49 114.58 115.28 1xqq h GLU 34 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xqq h GLU 34 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xqq h GLU 34 CO 0.00 -0.45 0.00 0.41 -1.16 0.00 0.00 179.01 177.81 1xqq n GLY 35 N -1.35 0.50 2.91 -3.84 0.00 -1.15 -5.04 105.19 97.21 1xqq n GLY 35 Ca -0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.35 1.25 0.52 -0.61 1.01 -1.26 -5.00 121.20 116.76 1xqq s ILE 36 Ca 0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 1xqq s ILE 36 Cb 0.00 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1xqq s ILE 36 CO 0.00 0.09 1.06 -2.84 0.00 0.00 0.00 174.94 173.25 1xqq s PRO 37 N 1.56 3.63 0.39 2.79 0.02 -1.26 -3.78 135.00 138.35 1xqq s PRO 37 Ca -0.01 1.39 0.08 0.00 0.02 0.00 0.00 61.00 62.48 1xqq s PRO 37 Cb -0.16 -2.07 0.84 0.00 0.02 0.00 0.00 34.50 33.13 1xqq s PRO 37 CO -0.08 -0.58 1.99 -1.35 -0.33 0.00 0.00 177.00 176.65 1xqq h PRO 38 N 1.30 0.61 0.00 5.54 0.11 -1.89 -1.46 132.00 136.20 1xqq h PRO 38 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1xqq h PRO 38 Cb 1.23 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xqq h PRO 38 CO 0.58 0.40 -0.12 -0.44 -0.21 0.00 0.00 178.00 178.22 1xqq h ASP 39 N 0.62 0.00 0.77 -2.05 3.32 -2.00 -3.00 116.42 114.09 1xqq h ASP 39 Ca 0.26 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 1xqq h ASP 39 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1xqq h ASP 39 CO -0.08 0.12 -0.98 -0.61 -1.72 0.00 0.00 179.24 175.97 1xqq h GLN 40 N 0.00 0.11 -6.11 3.56 5.75 -1.63 -3.46 115.11 113.33 1xqq h GLN 40 Ca -0.00 -0.16 -0.68 0.00 -0.15 0.00 0.00 58.65 57.65 1xqq h GLN 40 Cb 0.80 0.05 -0.18 0.00 1.07 0.00 0.00 27.48 29.23 1xqq h GLN 40 CO 0.02 1.00 -0.68 1.14 -2.65 0.00 0.00 178.83 177.66 1xqq s GLN 41 N -2.92 2.79 0.40 1.69 -2.07 -1.13 -0.13 119.66 118.29 1xqq s GLN 41 Ca -0.01 -0.52 0.05 0.00 -1.82 0.00 0.00 55.36 53.05 1xqq s GLN 41 Cb 0.10 -2.63 -0.06 0.00 -1.09 0.00 0.00 33.01 29.32 1xqq s GLN 41 CO 0.83 0.67 0.03 1.03 -1.32 0.00 0.00 175.29 176.53 1xqq s ARG 42 N -0.86 1.90 0.03 9.60 0.52 -0.14 -4.86 118.95 125.13 1xqq s ARG 42 Ca 0.13 -2.10 0.08 0.00 -0.52 0.00 0.00 55.73 53.32 1xqq s ARG 42 Cb -0.11 -1.32 -0.02 0.00 0.52 0.00 0.00 34.95 34.02 1xqq s ARG 42 CO 0.02 -0.17 -0.22 -0.51 0.02 0.00 0.00 175.30 174.44 1xqq s LEU 43 N -3.66 2.13 -0.02 2.53 1.43 -1.26 -1.12 118.68 118.71 1xqq s LEU 43 Ca 0.31 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 43 Cb 0.08 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1xqq s LEU 43 CO 0.15 0.21 -0.13 -0.63 0.23 0.00 0.00 176.35 176.18 1xqq s ILE 44 N -0.71 1.03 -0.38 -0.59 1.01 -0.33 -1.66 121.20 119.57 1xqq s ILE 44 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1xqq s ILE 44 Cb -0.09 -0.87 0.10 0.00 0.01 0.00 0.00 42.46 41.60 1xqq s ILE 44 CO 0.01 0.30 0.15 0.12 0.00 0.00 0.00 174.94 175.51 1xqq s PHE 45 N -0.17 3.54 0.00 3.97 5.36 -0.50 -1.85 117.98 128.32 1xqq s PHE 45 Ca 0.03 -2.35 0.00 0.00 -0.96 0.00 0.00 56.93 53.65 1xqq s PHE 45 Cb -0.06 -2.96 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1xqq s PHE 45 CO -0.00 -0.93 0.00 0.00 -1.46 0.00 0.00 175.22 172.83 1xqq n ALA 46 N 4.57 0.00 0.43 11.12 0.00 -1.26 -1.59 120.51 133.77 1xqq n ALA 46 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1xqq n ALA 46 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.03 3.63 0.00 0.00 -1.26 -5.01 105.19 102.52 1xqq n GLY 47 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.54 4.13 -0.31 1.61 2.47 -0.62 -5.03 119.74 120.45 1xqq s LYS 48 Ca 0.06 0.62 -0.23 0.00 -1.56 0.00 0.00 55.97 54.87 1xqq s LYS 48 Cb 0.07 -3.64 -0.00 0.00 -1.46 0.00 0.00 37.83 32.80 1xqq s LYS 48 CO 0.30 -0.41 0.75 -0.65 0.16 0.00 0.00 175.35 175.49 1xqq s GLN 49 N 2.51 3.93 -0.11 4.03 -0.21 -1.26 -1.41 119.66 127.13 1xqq s GLN 49 Ca 0.28 0.49 -0.25 0.00 0.02 0.00 0.00 55.36 55.90 1xqq s GLN 49 Cb -0.15 -3.74 -0.02 0.00 1.00 0.00 0.00 33.01 30.10 1xqq s GLN 49 CO 0.08 -0.67 0.80 -0.51 -2.12 0.00 0.00 175.29 172.88 1xqq s LEU 50 N 2.88 4.25 0.14 2.90 1.43 -0.66 -5.00 118.68 124.62 1xqq s LEU 50 Ca 0.30 1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1xqq s LEU 50 Cb -0.14 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.79 1xqq s LEU 50 CO 0.13 -0.28 1.03 -1.61 0.23 0.00 0.00 176.35 175.85 1xqq s GLU 51 N 1.49 4.65 0.14 1.70 2.02 -1.26 -4.54 118.70 122.89 1xqq s GLU 51 Ca 0.40 1.57 -0.17 0.00 0.02 0.00 0.00 54.97 56.79 1xqq s GLU 51 Cb -0.18 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 1xqq s GLU 51 CO 0.17 0.14 1.74 -0.44 0.02 0.00 0.00 175.26 176.89 1xqq h ASP 52 N 5.44 0.45 0.71 -0.19 3.32 -1.97 -2.49 116.42 121.69 1xqq h ASP 52 Ca -0.43 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1xqq h ASP 52 Cb 1.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1xqq h ASP 52 CO 0.72 0.41 -0.09 0.61 -1.72 0.00 0.00 179.24 179.17 1xqq n GLY 53 N -0.99 -1.31 3.80 2.75 0.00 -1.26 -1.79 105.19 106.38 1xqq n GLY 53 Ca -0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.80 4.09 0.71 1.61 0.52 -0.94 -4.87 118.95 117.27 1xqq s ARG 54 Ca 0.20 1.35 -0.10 0.00 -0.52 0.00 0.00 55.73 56.66 1xqq s ARG 54 Cb 0.19 -2.32 0.03 0.00 0.52 0.00 0.00 34.95 33.37 1xqq s ARG 54 CO 0.53 -0.18 1.07 0.95 0.02 0.00 0.00 175.30 177.69 1xqq s THR 55 N -1.89 3.04 0.05 0.02 -4.23 -1.26 -3.09 115.64 108.28 1xqq s THR 55 Ca 0.61 0.21 0.33 0.00 -1.18 0.00 0.00 61.69 61.66 1xqq s THR 55 Cb -0.17 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.74 1xqq s THR 55 CO 0.21 -0.39 1.97 -0.07 -0.54 0.00 0.00 174.62 175.80 1xqq h LEU 56 N -0.66 0.00 0.00 4.79 3.38 -1.18 -3.18 115.31 118.46 1xqq h LEU 56 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 56 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1xqq h LEU 56 CO 0.63 0.00 -1.01 -0.24 0.09 0.00 0.00 178.44 177.92 1xqq n SER 57 N -2.98 0.73 0.28 -0.43 2.88 -1.23 -0.83 113.62 112.04 1xqq n SER 57 Ca 0.01 0.18 0.16 0.00 -1.33 0.00 0.00 58.87 57.89 1xqq n SER 57 Cb 0.28 0.56 0.78 0.00 -0.75 0.00 0.00 64.21 65.08 1xqq n SER 57 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1xqq h ASP 58 N 0.00 0.00 0.00 -3.46 3.32 -1.91 -3.02 116.42 111.36 1xqq h ASP 58 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1xqq h ASP 58 Cb 0.91 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1xqq h ASP 58 CO 0.00 0.06 -1.81 -1.22 -1.72 0.00 0.00 179.24 174.55 1xqq n TYR 59 N -3.28 0.00 -2.67 4.55 4.01 -1.16 -5.04 117.16 113.56 1xqq n TYR 59 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1xqq n TYR 59 Cb 0.25 -0.42 0.04 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.13 -5.24 -4.34 7.72 3.02 -0.01 -5.02 115.26 109.26 1xqq n ASN 60 Ca -0.05 -0.44 -0.44 0.00 -0.03 0.00 0.00 54.58 53.63 1xqq n ASN 60 Cb 0.49 -3.72 -0.07 0.00 -0.61 0.00 0.00 39.78 35.86 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 -3.24 5.03 0.00 2.41 1.01 -0.33 -4.99 121.20 121.09 1xqq s ILE 61 Ca 0.28 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1xqq s ILE 61 Cb -0.04 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1xqq s ILE 61 CO 0.50 -0.66 0.00 0.00 0.00 0.00 0.00 174.94 174.78 1xqq n GLN 62 N 5.16 0.95 -1.47 2.79 10.64 -1.26 -4.82 117.38 129.37 1xqq n GLN 62 Ca -0.12 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.73 1xqq n GLN 62 Cb 0.42 0.00 0.07 0.00 -0.86 0.00 0.00 30.24 29.87 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xqq s LYS 63 N -0.62 2.61 -1.50 2.61 -2.85 -1.26 -3.92 119.74 114.81 1xqq s LYS 63 Ca 0.00 1.13 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1xqq s LYS 63 Cb 0.00 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 1xqq s LYS 63 CO 0.00 -1.37 0.00 0.39 0.10 0.00 0.00 175.35 174.47 1xqq n GLU 64 N -3.16 -1.48 -2.08 1.78 1.02 0.73 -4.96 120.64 112.48 1xqq n GLU 64 Ca 0.09 0.84 -0.40 0.00 -0.02 0.00 0.00 57.16 57.66 1xqq n GLU 64 Cb 0.53 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.75 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 -2.20 6.64 -0.31 1.62 0.01 -1.25 -4.78 113.70 113.41 1xqq s SER 65 Ca 0.00 2.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.76 1xqq s SER 65 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1xqq s SER 65 CO 0.00 -0.63 0.61 -0.89 0.41 0.00 0.00 173.24 172.74 1xqq s THR 66 N -1.17 4.94 0.36 1.44 2.01 -1.26 -0.76 115.64 121.21 1xqq s THR 66 Ca 0.51 0.78 0.08 0.00 0.31 0.00 0.00 61.69 63.37 1xqq s THR 66 Cb -0.40 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1xqq s THR 66 CO 0.53 -0.16 0.16 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 67 N 2.59 3.21 -0.05 4.42 1.02 0.43 -4.79 118.68 125.51 1xqq s LEU 67 Ca 0.24 -0.86 0.05 0.00 0.02 0.00 0.00 54.13 53.59 1xqq s LEU 67 Cb -0.15 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1xqq s LEU 67 CO 0.12 -0.37 -0.21 -1.00 0.02 0.00 0.00 176.35 174.90 1xqq s HIS 68 N -2.48 2.09 -0.10 0.29 3.76 -0.77 0.53 115.29 118.61 1xqq s HIS 68 Ca 0.39 -0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1xqq s HIS 68 Cb -0.01 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 1xqq s HIS 68 CO 0.23 -0.19 0.38 -1.17 -0.85 0.00 0.00 174.74 173.14 1xqq s LEU 69 N -0.09 4.33 0.17 0.89 2.96 -0.12 -1.19 118.68 125.63 1xqq s LEU 69 Ca -0.03 0.73 0.11 0.00 -0.22 0.00 0.00 54.13 54.72 1xqq s LEU 69 Cb -0.12 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1xqq s LEU 69 CO 0.03 0.15 -0.22 0.68 -1.32 0.00 0.00 176.35 175.66 1xqq s VAL 70 N -0.00 2.49 0.12 1.68 -7.23 -0.28 -4.21 120.40 112.97 1xqq s VAL 70 Ca 0.21 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1xqq s VAL 70 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1xqq s VAL 70 CO 0.09 -0.04 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.06 1xqq s LEU 71 N -2.49 3.37 0.00 1.32 1.02 -1.26 -0.97 118.68 119.67 1xqq s LEU 71 Ca 0.19 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1xqq s LEU 71 Cb -0.09 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1xqq s LEU 71 CO 0.10 0.14 0.00 0.54 0.02 0.00 0.00 176.35 177.15 1xqq n ARG 72 N 0.34 0.00 -0.01 1.70 1.74 0.81 -4.75 116.66 116.50 1xqq n ARG 72 Ca -0.11 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.76 1xqq n ARG 72 Cb 0.53 -0.31 -0.13 0.00 -1.02 0.00 0.00 32.46 31.52 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xqq h LEU 73 N 0.00 0.32 0.00 0.55 3.38 -1.94 -3.48 115.31 114.14 1xqq h LEU 73 Ca 0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1xqq h LEU 73 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xqq h LEU 73 CO 0.00 1.60 0.00 0.54 0.09 0.00 0.00 178.44 180.67 1xqq n ARG 74 N -3.98 0.21 0.00 1.13 1.74 -1.26 -5.10 116.66 109.40 1xqq n ARG 74 Ca -0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1xqq n ARG 74 Cb 0.87 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.31 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 3.42 2.35 0.00 -0.13 0.00 -1.26 -4.80 105.19 104.77 1xqq n GLY 75 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93