#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 4.34 0.31 3.17 -0.21 -1.26 -0.58 119.66 125.43 1xqq s GLN 2 Ca 0.00 1.70 0.11 0.00 0.02 0.00 0.00 55.36 57.19 1xqq s GLN 2 Cb 0.00 -3.57 -0.06 0.00 1.00 0.00 0.00 33.01 30.39 1xqq s GLN 2 CO 0.00 -0.47 -0.16 0.96 -2.12 0.00 0.00 175.29 173.50 1xqq s ILE 3 N 2.30 2.36 -0.08 1.08 -4.36 -0.43 0.45 121.20 122.52 1xqq s ILE 3 Ca 0.57 -2.32 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1xqq s ILE 3 Cb -0.25 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1xqq s ILE 3 CO 0.22 -0.32 -0.15 -0.36 0.24 0.00 0.00 174.94 174.57 1xqq s PHE 4 N -2.56 2.71 -0.32 1.37 0.08 -0.77 -1.47 117.98 117.01 1xqq s PHE 4 Ca 0.31 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.93 1xqq s PHE 4 Cb -0.02 -1.71 0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1xqq s PHE 4 CO 0.15 -0.02 0.03 0.08 -0.10 0.00 0.00 175.22 175.36 1xqq s VAL 5 N -0.23 2.76 0.13 -0.44 1.01 0.16 -0.72 120.40 123.07 1xqq s VAL 5 Ca 0.01 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.01 1xqq s VAL 5 Cb -0.13 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 1xqq s VAL 5 CO 0.03 -0.29 0.76 -0.75 0.00 0.00 0.00 175.10 174.85 1xqq s LYS 6 N 1.14 4.53 0.49 2.72 2.20 -0.44 -0.80 119.74 129.58 1xqq s LYS 6 Ca -0.01 1.11 0.07 0.00 -0.36 0.00 0.00 55.97 56.79 1xqq s LYS 6 Cb -0.20 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1xqq s LYS 6 CO -0.04 0.50 0.46 0.95 -0.36 0.00 0.00 175.35 176.86 1xqq s THR 7 N -0.87 2.18 -0.08 3.43 -4.23 -0.82 -1.10 115.64 114.14 1xqq s THR 7 Ca 0.36 -1.34 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 1xqq s THR 7 Cb -0.22 -2.52 -0.23 0.00 1.34 0.00 0.00 72.50 70.87 1xqq s THR 7 CO 0.25 0.00 1.02 0.25 -0.54 0.00 0.00 174.62 175.60 1xqq h LEU 8 N 0.78 -0.00 0.00 4.79 5.85 -1.90 -3.40 115.31 121.43 1xqq h LEU 8 Ca -0.38 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.62 1xqq h LEU 8 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1xqq h LEU 8 CO 0.55 0.73 0.00 0.35 -0.34 0.00 0.00 178.44 179.72 1xqq n THR 9 N -4.74 0.00 0.00 1.05 -2.24 -1.26 -4.98 114.28 102.11 1xqq n THR 9 Ca -0.09 0.76 0.00 0.00 -2.27 0.00 0.00 64.05 62.45 1xqq n THR 9 Cb 0.36 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.88 -1.90 3.09 3.38 0.00 -1.26 -5.14 105.19 104.24 1xqq n GLY 10 Ca 0.00 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 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 0.00 0.72 -0.11 1.61 2.20 -1.26 -5.02 119.74 117.88 1xqq s LYS 11 Ca 0.00 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1xqq s LYS 11 Cb 0.00 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 1xqq s LYS 11 CO 0.00 0.16 -0.23 0.99 -0.36 0.00 0.00 175.35 175.91 1xqq s THR 12 N -0.88 2.15 -0.20 3.43 2.01 -1.26 -1.94 115.64 118.94 1xqq s THR 12 Ca -0.02 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1xqq s THR 12 Cb -0.07 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1xqq s THR 12 CO 0.01 0.55 0.22 -0.63 -0.69 0.00 0.00 174.62 174.09 1xqq s ILE 13 N 0.42 5.34 -0.08 1.82 1.09 0.01 -4.90 121.20 124.89 1xqq s ILE 13 Ca -0.16 0.37 -0.24 0.00 -1.10 0.00 0.00 60.65 59.52 1xqq s ILE 13 Cb -0.17 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 1xqq s ILE 13 CO 0.07 0.37 0.72 -0.89 -0.10 0.00 0.00 174.94 175.11 1xqq s THR 14 N 0.73 5.02 -0.02 2.92 2.01 -1.26 0.37 115.64 125.42 1xqq s THR 14 Ca 0.12 1.46 0.05 0.00 0.31 0.00 0.00 61.69 63.62 1xqq s THR 14 Cb -0.13 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1xqq s THR 14 CO 0.03 0.22 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.80 1xqq s LEU 15 N 1.02 2.00 -0.28 4.42 2.96 -0.54 -4.98 118.68 123.28 1xqq s LEU 15 Ca 0.37 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.77 1xqq s LEU 15 Cb -0.18 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1xqq s LEU 15 CO 0.17 0.18 0.77 -1.61 -1.32 0.00 0.00 176.35 174.54 1xqq s GLU 16 N -0.28 4.05 0.15 1.98 2.02 -1.26 -1.32 118.70 124.04 1xqq s GLU 16 Ca 0.04 0.67 0.06 0.00 0.02 0.00 0.00 54.97 55.76 1xqq s GLU 16 Cb -0.07 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1xqq s GLU 16 CO -0.00 -0.58 -0.13 0.14 0.02 0.00 0.00 175.26 174.70 1xqq s VAL 17 N 2.84 1.41 -0.10 2.63 -7.23 0.26 -4.91 120.40 115.29 1xqq s VAL 17 Ca 0.32 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 1xqq s VAL 17 Cb -0.15 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1xqq s VAL 17 CO 0.10 -0.52 0.06 -1.61 -0.31 0.00 0.00 175.10 172.82 1xqq s GLU 18 N -3.12 3.19 0.45 4.82 2.02 -1.26 0.79 118.70 125.58 1xqq s GLU 18 Ca 0.14 -0.28 0.30 0.00 0.02 0.00 0.00 54.97 55.15 1xqq s GLU 18 Cb -0.02 -2.97 1.24 0.00 0.10 0.00 0.00 34.13 32.47 1xqq s GLU 18 CO 0.03 0.74 1.89 -1.00 0.02 0.00 0.00 175.26 176.94 1xqq h PRO 19 N 5.07 0.00 0.00 0.39 0.13 -1.96 -2.57 132.00 133.05 1xqq h PRO 19 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1xqq h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xqq h PRO 19 CO 0.56 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.78 1xqq n SER 20 N -2.79 0.00 -4.75 1.44 2.88 -1.26 -3.16 113.62 105.98 1xqq n SER 20 Ca 0.01 0.34 -0.30 0.00 -1.33 0.00 0.00 58.87 57.59 1xqq n SER 20 Cb 0.28 -0.44 0.12 0.00 -0.75 0.00 0.00 64.21 63.42 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xqq s ASP 21 N -2.88 3.88 0.82 -3.46 1.01 -0.97 -4.89 116.67 110.18 1xqq s ASP 21 Ca 0.16 1.47 -0.12 0.00 0.71 0.00 0.00 52.55 54.77 1xqq s ASP 21 Cb 0.17 -2.17 0.09 0.00 1.01 0.00 0.00 42.92 42.02 1xqq s ASP 21 CO 0.44 -2.38 1.19 0.42 0.21 0.00 0.00 175.17 175.06 1xqq s THR 22 N -2.99 2.00 0.11 -1.27 -4.23 -1.26 -2.98 115.64 105.01 1xqq s THR 22 Ca 0.62 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.31 1xqq s THR 22 Cb -0.17 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.78 1xqq s THR 22 CO 0.56 0.00 1.66 0.40 -0.54 0.00 0.00 174.62 176.70 1xqq h ILE 23 N -1.12 0.93 -0.95 2.99 1.08 0.12 -2.84 117.51 117.73 1xqq h ILE 23 Ca -0.46 -1.75 0.05 0.00 -0.39 0.00 0.00 64.86 62.32 1xqq h ILE 23 Cb 1.32 2.06 -0.06 0.00 -3.07 0.00 0.00 36.82 37.08 1xqq h ILE 23 CO 0.64 0.42 0.62 -0.08 -0.69 0.00 0.00 178.15 179.06 1xqq h GLU 24 N 0.00 1.10 0.00 2.37 4.81 -1.28 -2.35 114.58 119.23 1xqq h GLU 24 Ca -0.00 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1xqq h GLU 24 Cb 1.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1xqq h GLU 24 CO 0.06 0.73 -0.85 -0.91 -0.73 0.00 0.00 179.01 177.30 1xqq h ASN 25 N 1.13 0.10 -0.51 1.04 4.21 -1.80 -1.63 115.58 118.12 1xqq h ASN 25 Ca 0.39 -0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.75 1xqq h ASN 25 Cb 0.12 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1xqq h ASN 25 CO -0.14 0.90 0.04 0.58 -1.29 0.00 0.00 177.43 177.52 1xqq h VAL 26 N 0.04 1.26 0.00 2.81 2.07 -1.37 -3.03 116.25 118.03 1xqq h VAL 26 Ca -0.02 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1xqq h VAL 26 Cb 1.48 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1xqq h VAL 26 CO 0.12 0.36 -0.17 0.11 0.02 0.00 0.00 177.57 178.00 1xqq h LYS 27 N 0.75 0.00 0.00 1.57 1.57 -0.95 -1.87 116.57 117.64 1xqq h LYS 27 Ca 0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1xqq h LYS 27 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xqq h LYS 27 CO 0.02 0.17 -0.08 0.00 -0.57 0.00 0.00 179.45 179.00 1xqq h ALA 28 N 1.83 1.22 0.00 3.86 0.00 -1.22 -1.87 119.26 123.08 1xqq h ALA 28 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xqq h ALA 28 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xqq h ALA 28 CO 0.02 0.10 -1.40 1.17 0.00 0.00 0.00 179.25 179.14 1xqq n LYS 29 N -3.50 0.58 0.07 0.00 4.81 -0.76 -2.61 118.16 116.75 1xqq n LYS 29 Ca -0.02 -0.02 -0.12 0.00 -0.87 0.00 0.00 58.31 57.28 1xqq n LYS 29 Cb 0.21 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1xqq h ILE 30 N 0.00 1.42 0.00 3.15 2.04 -1.14 0.26 117.51 123.24 1xqq h ILE 30 Ca 0.00 -2.46 -0.07 0.00 1.00 0.00 0.00 64.86 63.33 1xqq h ILE 30 Cb 0.96 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1xqq h ILE 30 CO 0.00 0.73 -0.35 -0.61 0.00 0.00 0.00 178.15 177.92 1xqq h GLN 31 N 0.20 0.00 -0.06 2.37 4.15 -1.41 0.37 115.11 120.73 1xqq h GLN 31 Ca -0.07 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1xqq h GLN 31 Cb 1.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1xqq h GLN 31 CO 0.15 0.35 -0.14 0.22 -1.93 0.00 0.00 178.83 177.48 1xqq h ASP 32 N 0.00 0.23 0.04 -0.69 3.58 -1.22 -2.84 116.42 115.51 1xqq h ASP 32 Ca -0.00 -0.58 -0.07 0.00 0.42 0.00 0.00 57.03 56.79 1xqq h ASP 32 Cb 0.65 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.64 1xqq h ASP 32 CO 0.05 0.77 -0.30 0.50 -2.88 0.00 0.00 179.24 177.37 1xqq h LYS 33 N -0.31 0.13 0.00 0.28 1.63 -0.77 -3.40 116.57 114.14 1xqq h LYS 33 Ca -0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1xqq h LYS 33 Cb 0.74 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1xqq h LYS 33 CO 0.03 1.04 -1.47 0.39 -3.45 0.00 0.00 179.45 176.00 1xqq n GLU 34 N -4.45 0.85 -2.61 1.90 -0.58 0.13 -5.05 120.64 110.83 1xqq n GLU 34 Ca -0.11 -0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 56.44 1xqq n GLU 34 Cb 0.58 -1.35 0.04 0.00 -0.57 0.00 0.00 31.44 30.15 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 1.52 -0.49 3.29 0.62 0.00 -1.01 -4.99 105.19 104.13 1xqq n GLY 35 Ca -0.01 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.22 1.90 0.78 -0.61 1.01 -1.26 -5.01 121.20 114.79 1xqq s ILE 36 Ca 0.25 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1xqq s ILE 36 Cb -0.03 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.90 1xqq s ILE 36 CO 0.48 0.42 1.14 -2.84 0.00 0.00 0.00 174.94 174.13 1xqq s PRO 37 N -0.86 1.99 0.49 2.79 0.02 -1.26 -4.31 135.00 133.85 1xqq s PRO 37 Ca 0.09 1.45 0.22 0.00 0.02 0.00 0.00 61.00 62.79 1xqq s PRO 37 Cb -0.09 -1.85 1.25 0.00 0.02 0.00 0.00 34.50 33.83 1xqq s PRO 37 CO 0.00 -1.89 2.03 -1.00 -0.33 0.00 0.00 177.00 175.82 1xqq h PRO 38 N -0.93 0.00 -0.04 5.54 0.13 -1.93 -2.85 132.00 131.92 1xqq h PRO 38 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1xqq h PRO 38 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xqq h PRO 38 CO 0.49 0.16 -0.63 0.38 -0.23 0.00 0.00 178.00 178.16 1xqq h ASP 39 N 0.00 0.17 1.54 1.44 2.03 -1.96 -2.99 116.42 116.65 1xqq h ASP 39 Ca -0.00 -0.10 -0.07 0.00 -0.73 0.00 0.00 57.03 56.13 1xqq h ASP 39 Cb 0.34 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1xqq h ASP 39 CO 0.02 0.76 -0.47 1.56 -1.03 0.00 0.00 179.24 180.07 1xqq h GLN 40 N 0.10 0.00 -6.22 4.15 4.20 -1.70 -3.43 115.11 112.21 1xqq h GLN 40 Ca -0.01 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 1xqq h GLN 40 Cb 1.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1xqq h GLN 40 CO 0.09 0.29 0.99 -0.65 -0.67 0.00 0.00 178.83 178.88 1xqq s GLN 41 N -3.06 4.21 -0.12 1.46 -0.21 -1.13 -0.33 119.66 120.48 1xqq s GLN 41 Ca 0.04 1.93 0.03 0.00 0.02 0.00 0.00 55.36 57.38 1xqq s GLN 41 Cb 0.07 -3.86 0.01 0.00 1.00 0.00 0.00 33.01 30.23 1xqq s GLN 41 CO 0.73 -0.77 -0.20 0.50 -2.12 0.00 0.00 175.29 173.43 1xqq s ARG 42 N 3.70 2.77 -0.12 2.91 3.52 -1.12 -4.81 118.95 125.78 1xqq s ARG 42 Ca 0.64 -0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 1xqq s ARG 42 Cb -0.28 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1xqq s ARG 42 CO 0.22 0.02 0.05 -0.51 -0.81 0.00 0.00 175.30 174.27 1xqq s LEU 43 N 0.75 3.85 0.08 -0.88 1.43 -1.26 -2.25 118.68 120.40 1xqq s LEU 43 Ca -0.10 0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.30 1xqq s LEU 43 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 43 CO 0.01 0.32 -0.26 -0.63 0.23 0.00 0.00 176.35 176.01 1xqq s ILE 44 N -0.52 2.16 -0.09 -0.59 -1.09 -0.76 -1.70 121.20 118.61 1xqq s ILE 44 Ca 0.10 -1.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.00 1xqq s ILE 44 Cb -0.12 -1.88 0.01 0.00 -1.58 0.00 0.00 42.46 38.90 1xqq s ILE 44 CO 0.02 0.24 -0.14 0.12 -1.23 0.00 0.00 174.94 173.95 1xqq s PHE 45 N -0.92 1.71 0.00 3.97 5.36 -0.87 0.01 117.98 127.25 1xqq s PHE 45 Ca 0.12 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 1xqq s PHE 45 Cb -0.10 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 1xqq s PHE 45 CO 0.04 -0.38 0.00 0.00 -1.46 0.00 0.00 175.22 173.41 1xqq n ALA 46 N 4.06 0.00 -1.96 11.12 0.00 -1.26 -0.69 120.51 131.77 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 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.54 3.72 0.00 0.00 -1.26 -5.03 105.19 103.16 1xqq n GLY 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.58 -0.12 1.61 2.47 0.13 -5.05 119.74 123.36 1xqq s LYS 48 Ca 0.00 1.59 -0.29 0.00 -1.56 0.00 0.00 55.97 55.71 1xqq s LYS 48 Cb 0.00 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 33.00 1xqq s LYS 48 CO 0.00 0.01 1.06 -0.65 0.16 0.00 0.00 175.35 175.93 1xqq s GLN 49 N 0.33 4.37 -0.27 4.03 -0.21 -1.26 -2.05 119.66 124.60 1xqq s GLN 49 Ca 0.51 1.45 -0.11 0.00 0.02 0.00 0.00 55.36 57.23 1xqq s GLN 49 Cb -0.26 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.13 1xqq s GLN 49 CO 0.31 -0.42 0.21 -0.51 -2.12 0.00 0.00 175.29 172.76 1xqq s LEU 50 N 2.34 4.04 0.12 2.90 1.43 -0.69 -4.96 118.68 123.87 1xqq s LEU 50 Ca 0.49 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1xqq s LEU 50 Cb -0.19 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1xqq s LEU 50 CO 0.16 -0.05 0.19 -1.61 0.23 0.00 0.00 176.35 175.27 1xqq s GLU 51 N 1.68 3.17 0.18 1.70 0.41 -1.26 -4.32 118.70 120.26 1xqq s GLU 51 Ca 0.08 -0.67 -0.18 0.00 -0.41 0.00 0.00 54.97 53.79 1xqq s GLU 51 Cb -0.16 -2.84 0.13 0.00 -1.78 0.00 0.00 34.13 29.49 1xqq s GLU 51 CO 0.10 0.53 1.63 -0.44 -0.49 0.00 0.00 175.26 176.59 1xqq h ASP 52 N 2.61 -0.70 0.44 -0.19 5.19 -1.97 -2.57 116.42 119.23 1xqq h ASP 52 Ca -0.47 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1xqq h ASP 52 Cb 1.18 0.39 0.00 0.00 0.18 0.00 0.00 39.33 41.08 1xqq h ASP 52 CO 0.68 -0.23 0.00 0.61 -3.12 0.00 0.00 179.24 177.18 1xqq n GLY 53 N -1.39 -1.13 3.81 2.75 0.00 -1.26 -0.91 105.19 107.06 1xqq n GLY 53 Ca 0.04 -0.13 -0.33 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 -2.51 4.10 0.82 1.61 1.81 -0.97 -4.86 118.95 118.95 1xqq s ARG 54 Ca 0.27 1.19 -0.06 0.00 -1.72 0.00 0.00 55.73 55.41 1xqq s ARG 54 Cb 0.18 -2.15 0.16 0.00 -0.45 0.00 0.00 34.95 32.69 1xqq s ARG 54 CO 0.39 -0.15 1.12 0.95 -0.68 0.00 0.00 175.30 176.93 1xqq s THR 55 N -2.13 2.04 -0.01 0.02 -4.23 -1.26 -0.45 115.64 109.61 1xqq s THR 55 Ca 0.63 -0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.52 1xqq s THR 55 Cb -0.11 -2.62 -0.24 0.00 1.34 0.00 0.00 72.50 70.86 1xqq s THR 55 CO 0.15 0.00 1.06 -0.07 -0.54 0.00 0.00 174.62 175.22 1xqq h LEU 56 N -0.94 0.45 -0.92 4.79 3.38 -1.49 -3.27 115.31 117.32 1xqq h LEU 56 Ca -0.38 -0.79 0.19 0.00 0.09 0.00 0.00 57.88 56.99 1xqq h LEU 56 Cb 1.25 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1xqq h LEU 56 CO 0.37 1.19 0.49 0.77 0.09 0.00 0.00 178.44 181.34 1xqq h SER 57 N -0.23 0.57 -0.62 -0.43 4.64 -1.79 -0.30 113.55 115.39 1xqq h SER 57 Ca -0.07 0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1xqq h SER 57 Cb 1.28 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1xqq h SER 57 CO 0.11 0.17 0.20 -0.78 -0.87 0.00 0.00 176.83 175.66 1xqq h ASP 58 N 0.61 0.92 -0.51 4.97 1.82 -1.91 0.36 116.42 122.68 1xqq h ASP 58 Ca 0.54 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1xqq h ASP 58 Cb 0.87 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1xqq h ASP 58 CO -0.42 0.86 0.00 -1.22 -1.61 0.00 0.00 179.24 176.85 1xqq n TYR 59 N -4.27 1.44 -3.88 0.28 4.01 -1.14 -4.93 117.16 108.66 1xqq n TYR 59 Ca 0.05 -0.53 -0.31 0.00 -0.16 0.00 0.00 57.90 56.95 1xqq n TYR 59 Cb 0.21 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.74 -2.75 -4.65 7.72 3.02 0.12 -4.96 115.26 114.49 1xqq n ASN 60 Ca 0.22 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 1xqq n ASN 60 Cb 0.87 -2.91 -0.03 0.00 -0.61 0.00 0.00 39.78 37.10 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 -3.73 4.75 0.47 2.41 -1.09 -0.14 -4.98 121.20 118.89 1xqq s ILE 61 Ca 0.26 1.80 0.06 0.00 -2.23 0.00 0.00 60.65 60.54 1xqq s ILE 61 Cb -0.11 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 1xqq s ILE 61 CO 0.90 -0.13 0.64 -1.10 -1.23 0.00 0.00 174.94 174.02 1xqq s GLN 62 N 3.03 2.71 0.59 2.79 -1.52 -1.26 -4.54 119.66 121.46 1xqq s GLN 62 Ca 0.40 -1.11 -0.15 0.00 -1.95 0.00 0.00 55.36 52.54 1xqq s GLN 62 Cb -0.15 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 1xqq s GLN 62 CO 0.07 -0.44 1.03 -1.59 -0.25 0.00 0.00 175.29 174.11 1xqq s LYS 63 N -4.50 3.47 -1.42 2.91 -2.85 -1.26 -4.06 119.74 112.04 1xqq s LYS 63 Ca 0.56 1.07 -0.10 0.00 -1.00 0.00 0.00 55.97 56.50 1xqq s LYS 63 Cb -0.10 -2.06 0.03 0.00 -2.06 0.00 0.00 37.83 33.64 1xqq s LYS 63 CO 0.35 -0.68 1.06 0.39 0.10 0.00 0.00 175.35 176.58 1xqq n GLU 64 N -2.09 -6.99 -4.98 1.78 1.02 0.17 -4.98 120.64 104.57 1xqq n GLU 64 Ca 0.08 0.78 -0.28 0.00 -0.02 0.00 0.00 57.16 57.72 1xqq n GLU 64 Cb 0.53 -5.77 -0.16 0.00 -0.02 0.00 0.00 31.44 26.02 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 -3.23 2.44 -0.22 1.62 0.01 -1.26 -4.87 113.70 108.19 1xqq s SER 65 Ca 0.57 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 57.19 1xqq s SER 65 Cb -0.26 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.37 1xqq s SER 65 CO 0.71 0.20 0.81 -0.89 0.41 0.00 0.00 173.24 174.48 1xqq s THR 66 N -0.13 4.86 0.28 1.44 2.01 -1.26 -1.84 115.64 121.00 1xqq s THR 66 Ca -0.01 1.56 0.02 0.00 0.31 0.00 0.00 61.69 63.56 1xqq s THR 66 Cb -0.11 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1xqq s THR 66 CO 0.02 -0.03 0.45 -0.76 -0.69 0.00 0.00 174.62 173.62 1xqq s LEU 67 N 2.55 4.16 -0.29 4.42 1.02 0.11 -4.73 118.68 125.91 1xqq s LEU 67 Ca 0.35 0.33 -0.04 0.00 0.02 0.00 0.00 54.13 54.79 1xqq s LEU 67 Cb -0.16 -3.15 0.03 0.00 0.02 0.00 0.00 46.19 42.93 1xqq s LEU 67 CO 0.09 -0.17 0.02 -1.00 0.02 0.00 0.00 176.35 175.32 1xqq s HIS 68 N -2.11 3.16 -0.25 0.29 3.76 0.10 -1.33 115.29 118.91 1xqq s HIS 68 Ca 0.38 -1.40 -0.28 0.00 -0.15 0.00 0.00 55.06 53.61 1xqq s HIS 68 Cb -0.10 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1xqq s HIS 68 CO 0.32 -0.69 0.99 -1.17 -0.85 0.00 0.00 174.74 173.34 1xqq s LEU 69 N 1.38 4.06 0.36 0.89 2.96 -0.26 -1.83 118.68 126.25 1xqq s LEU 69 Ca -0.00 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.20 1xqq s LEU 69 Cb -0.18 -3.45 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 1xqq s LEU 69 CO -0.00 -0.68 -0.05 0.68 -1.32 0.00 0.00 176.35 174.98 1xqq s VAL 70 N 3.20 2.08 -0.24 1.68 -7.23 -0.96 -4.30 120.40 114.62 1xqq s VAL 70 Ca 0.42 -2.13 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1xqq s VAL 70 Cb -0.14 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1xqq s VAL 70 CO 0.08 -0.14 0.82 -0.22 -0.31 0.00 0.00 175.10 175.34 1xqq s LEU 71 N -3.62 4.08 -0.13 1.32 2.96 -1.26 -2.80 118.68 119.23 1xqq s LEU 71 Ca 0.33 1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 55.15 1xqq s LEU 71 Cb 0.05 -3.18 -0.05 0.00 0.50 0.00 0.00 46.19 43.52 1xqq s LEU 71 CO 0.17 -0.51 0.24 -0.60 -1.32 0.00 0.00 176.35 174.32 1xqq s ARG 72 N 2.83 3.96 0.61 1.98 3.52 0.55 -4.92 118.95 127.49 1xqq s ARG 72 Ca 0.35 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 1xqq s ARG 72 Cb -0.15 -3.33 0.08 0.00 -1.56 0.00 0.00 34.95 29.99 1xqq s ARG 72 CO 0.07 0.48 0.84 -0.51 -0.81 0.00 0.00 175.30 175.37 1xqq s LEU 73 N -0.22 3.17 0.68 -0.88 1.43 -1.26 -4.37 118.68 117.22 1xqq s LEU 73 Ca 0.16 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1xqq s LEU 73 Cb -0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xqq s LEU 73 CO 0.04 -1.42 1.06 -0.13 0.23 0.00 0.00 176.35 176.14 1xqq s ARG 74 N -4.85 2.97 0.00 1.70 1.81 -1.26 -4.80 118.95 114.51 1xqq s ARG 74 Ca 0.61 1.03 0.00 0.00 -1.72 0.00 0.00 55.73 55.65 1xqq s ARG 74 Cb -0.08 -1.99 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 1xqq s ARG 74 CO 0.40 -1.08 0.00 0.41 -0.68 0.00 0.00 175.30 174.35 1xqq n GLY 75 N -1.70 -0.69 0.00 -3.53 0.00 -1.26 -5.25 105.19 92.75 1xqq n GLY 75 Ca 0.08 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93