#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 3.62 0.33 2.12 -0.21 -1.26 -0.55 119.66 123.70 1xqq s GLN 2 Ca 0.00 -0.56 0.06 0.00 0.02 0.00 0.00 55.36 54.88 1xqq s GLN 2 Cb 0.00 -3.77 -0.07 0.00 1.00 0.00 0.00 33.01 30.18 1xqq s GLN 2 CO 0.00 -0.37 -0.01 0.96 -2.12 0.00 0.00 175.29 173.75 1xqq s ILE 3 N 1.73 1.61 -0.20 1.08 -4.36 -0.89 -0.59 121.20 119.59 1xqq s ILE 3 Ca 0.06 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1xqq s ILE 3 Cb -0.17 -2.70 0.04 0.00 1.25 0.00 0.00 42.46 40.88 1xqq s ILE 3 CO 0.11 -0.13 -0.13 -0.36 0.24 0.00 0.00 174.94 174.67 1xqq s PHE 4 N -3.01 2.63 -0.22 1.37 0.08 -0.43 -1.37 117.98 117.02 1xqq s PHE 4 Ca 0.33 -1.69 -0.07 0.00 0.12 0.00 0.00 56.93 55.62 1xqq s PHE 4 Cb 0.07 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1xqq s PHE 4 CO 0.15 -0.78 0.05 0.08 -0.10 0.00 0.00 175.22 174.63 1xqq s VAL 5 N 1.33 4.35 -0.06 -0.44 1.01 0.04 -0.60 120.40 126.03 1xqq s VAL 5 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1xqq s VAL 5 Cb -0.16 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1xqq s VAL 5 CO -0.09 0.39 -0.20 -0.54 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 1.18 2.54 0.40 2.72 1.02 -0.71 -0.48 119.74 126.41 1xqq s LYS 6 Ca 0.04 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.27 1xqq s LYS 6 Cb -0.14 -2.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1xqq s LYS 6 CO 0.03 0.48 0.48 0.25 -0.92 0.00 0.00 175.35 175.67 1xqq n THR 7 N 2.70 0.00 0.20 2.17 -2.24 -0.95 -1.12 114.28 115.04 1xqq n THR 7 Ca -0.17 -1.40 0.05 0.00 -2.27 0.00 0.00 64.05 60.26 1xqq n THR 7 Cb 0.52 -0.51 0.39 0.00 -2.10 0.00 0.00 70.33 68.62 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.90 -3.42 115.31 116.59 1xqq h LEU 8 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xqq h LEU 8 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1xqq h LEU 8 CO 0.30 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.54 1xqq n THR 9 N -3.70 0.00 -2.46 0.22 -2.24 -1.26 -5.00 114.28 99.83 1xqq n THR 9 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1xqq n THR 9 Cb 0.45 -0.44 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 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 2.95 1.57 3.83 3.38 0.00 -1.26 -5.12 105.19 110.55 1xqq n GLY 10 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.05 3.77 -0.14 1.61 2.20 -1.26 -4.98 119.74 121.00 1xqq s LYS 11 Ca 0.06 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 1xqq s LYS 11 Cb 0.31 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1xqq s LYS 11 CO -0.09 0.64 -0.17 0.99 -0.36 0.00 0.00 175.35 176.37 1xqq s THR 12 N -0.74 1.71 -0.28 3.43 2.01 -1.26 -2.23 115.64 118.27 1xqq s THR 12 Ca 0.18 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 1xqq s THR 12 Cb -0.14 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1xqq s THR 12 CO 0.07 0.48 0.17 -0.63 -0.69 0.00 0.00 174.62 174.02 1xqq s ILE 13 N 1.24 5.08 -0.54 1.82 1.01 0.37 -4.95 121.20 125.23 1xqq s ILE 13 Ca 0.01 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 1xqq s ILE 13 Cb -0.14 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 38.94 1xqq s ILE 13 CO -0.08 0.23 0.83 -0.89 0.00 0.00 0.00 174.94 175.03 1xqq s THR 14 N 1.72 4.57 0.13 2.92 2.01 -1.26 -0.78 115.64 124.96 1xqq s THR 14 Ca 0.07 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 1xqq s THR 14 Cb -0.16 -4.46 -0.06 0.00 0.01 0.00 0.00 72.50 67.83 1xqq s THR 14 CO 0.09 -1.02 0.48 -0.76 -0.69 0.00 0.00 174.62 172.73 1xqq s LEU 15 N 3.46 4.31 -0.45 4.42 1.43 -0.47 -4.91 118.68 126.47 1xqq s LEU 15 Ca 0.24 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1xqq s LEU 15 Cb -0.15 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1xqq s LEU 15 CO 0.16 0.10 0.53 -1.61 0.23 0.00 0.00 176.35 175.76 1xqq s GLU 16 N -2.12 3.13 0.32 1.70 2.02 -1.26 -2.10 118.70 120.40 1xqq s GLU 16 Ca 0.38 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1xqq s GLU 16 Cb -0.14 -4.01 -0.01 0.00 0.10 0.00 0.00 34.13 30.07 1xqq s GLU 16 CO 0.19 -0.99 0.09 1.33 0.02 0.00 0.00 175.26 175.90 1xqq n VAL 17 N 5.56 0.00 -4.23 2.63 0.24 0.29 -4.94 118.33 117.87 1xqq n VAL 17 Ca -0.06 -1.82 -0.13 0.00 -2.04 0.00 0.00 64.34 60.29 1xqq n VAL 17 Cb 0.47 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.34 1xqq n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xqq s GLU 18 N -3.22 1.00 0.28 7.34 0.41 -1.26 0.81 118.70 124.06 1xqq s GLU 18 Ca 0.13 -1.42 0.26 0.00 -0.41 0.00 0.00 54.97 53.53 1xqq s GLU 18 Cb 0.01 -0.52 0.80 0.00 -1.78 0.00 0.00 34.13 32.63 1xqq s GLU 18 CO 0.09 0.05 1.75 -1.00 -0.49 0.00 0.00 175.26 175.67 1xqq h PRO 19 N 2.84 0.00 -0.35 0.39 0.13 -1.95 -2.49 132.00 130.58 1xqq h PRO 19 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xqq h PRO 19 CO 0.64 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 1xqq n SER 20 N -2.46 1.98 -4.91 1.44 7.64 -1.26 -2.02 113.62 114.02 1xqq n SER 20 Ca 0.04 -1.95 -0.27 0.00 1.01 0.00 0.00 58.87 57.70 1xqq n SER 20 Cb 0.40 -0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.09 5.92 0.42 6.43 1.01 -0.94 -4.85 116.67 123.57 1xqq s ASP 21 Ca 0.26 0.80 0.07 0.00 0.71 0.00 0.00 52.55 54.40 1xqq s ASP 21 Cb 0.14 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 42.12 1xqq s ASP 21 CO 0.19 -0.83 0.58 0.42 0.21 0.00 0.00 175.17 175.74 1xqq s THR 22 N -2.86 3.03 0.47 -1.27 -4.23 -1.26 -1.31 115.64 108.20 1xqq s THR 22 Ca 0.51 -0.98 0.22 0.00 -1.18 0.00 0.00 61.69 60.26 1xqq s THR 22 Cb -0.10 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 71.12 1xqq s THR 22 CO 0.45 -0.01 1.91 0.40 -0.54 0.00 0.00 174.62 176.83 1xqq h ILE 23 N 0.61 0.69 0.00 2.99 1.08 -0.97 -0.03 117.51 121.88 1xqq h ILE 23 Ca -0.40 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1xqq h ILE 23 Cb 1.28 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1xqq h ILE 23 CO 0.46 0.04 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.70 1xqq h GLU 24 N 0.24 0.00 0.00 2.37 4.81 -1.48 -1.98 114.58 118.54 1xqq h GLU 24 Ca 0.39 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1xqq h GLU 24 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1xqq h GLU 24 CO -0.09 0.18 -0.02 -0.97 -0.73 0.00 0.00 179.01 177.39 1xqq h ASN 25 N 0.00 0.00 0.10 1.04 -0.73 -1.29 -0.32 115.58 114.37 1xqq h ASN 25 Ca -0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 1xqq h ASN 25 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1xqq h ASN 25 CO 0.02 0.02 -1.02 0.58 -0.37 0.00 0.00 177.43 176.66 1xqq h VAL 26 N 0.00 1.28 -0.12 2.57 2.07 -1.13 -3.30 116.25 117.62 1xqq h VAL 26 Ca -0.00 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 1xqq h VAL 26 Cb 0.80 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1xqq h VAL 26 CO 0.00 0.66 -0.11 0.11 0.02 0.00 0.00 177.57 178.26 1xqq h LYS 27 N -0.48 0.19 0.00 1.57 1.57 -1.45 -2.14 116.57 115.84 1xqq h LYS 27 Ca -0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 27 Cb 1.59 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.86 1xqq h LYS 27 CO 0.06 0.31 -0.09 0.00 -0.57 0.00 0.00 179.45 179.15 1xqq h ALA 28 N 1.72 1.35 0.00 3.86 0.00 -1.13 0.12 119.26 125.18 1xqq h ALA 28 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xqq h ALA 28 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xqq h ALA 28 CO 0.02 0.11 -0.78 1.63 0.00 0.00 0.00 179.25 180.23 1xqq n LYS 29 N -3.71 0.32 0.14 0.00 5.02 -0.84 -2.45 118.16 116.64 1xqq n LYS 29 Ca -0.02 0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1xqq n LYS 29 Cb 0.20 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1xqq n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xqq h ILE 30 N 0.00 0.77 0.00 -0.18 1.08 -1.03 -2.04 117.51 116.12 1xqq h ILE 30 Ca 0.00 -2.10 -0.15 0.00 -0.39 0.00 0.00 64.86 62.21 1xqq h ILE 30 Cb 0.76 2.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 1xqq h ILE 30 CO 0.00 0.44 -0.82 -0.61 -0.69 0.00 0.00 178.15 176.47 1xqq h GLN 31 N 0.00 0.00 0.06 2.37 4.15 -0.75 0.51 115.11 121.45 1xqq h GLN 31 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xqq h GLN 31 Cb 1.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1xqq h GLN 31 CO 0.06 0.62 -0.03 0.22 -1.93 0.00 0.00 178.83 177.77 1xqq h ASP 32 N 0.00 -0.06 -0.01 -0.69 3.58 -1.56 -3.33 116.42 114.35 1xqq h ASP 32 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1xqq h ASP 32 Cb 1.55 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1xqq h ASP 32 CO 0.08 -0.02 -0.05 0.11 -2.88 0.00 0.00 179.24 176.48 1xqq h LYS 33 N -0.13 0.05 0.04 0.28 1.79 -1.39 -3.37 116.57 113.83 1xqq h LYS 33 Ca -0.01 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.22 1xqq h LYS 33 Cb 0.06 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1xqq h LYS 33 CO 0.01 0.72 -1.08 0.93 -1.08 0.00 0.00 179.45 178.95 1xqq h GLU 34 N -0.60 0.08 -1.45 3.15 4.39 -1.20 -3.50 114.58 115.45 1xqq h GLU 34 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1xqq h GLU 34 Cb 0.73 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1xqq h GLU 34 CO 0.01 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.34 1xqq n GLY 35 N 1.58 0.88 3.81 -3.84 0.00 -0.25 -5.01 105.19 102.36 1xqq n GLY 35 Ca -0.26 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.45 5.09 0.92 -0.61 -1.09 -1.26 -5.03 121.20 116.78 1xqq s ILE 36 Ca 0.00 0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.37 1xqq s ILE 36 Cb 0.00 -3.20 0.15 0.00 -1.58 0.00 0.00 42.46 37.83 1xqq s ILE 36 CO 0.00 0.62 1.12 -2.84 -1.23 0.00 0.00 174.94 172.61 1xqq s PRO 37 N -0.98 0.97 0.33 2.79 0.02 -1.26 -4.67 135.00 132.19 1xqq s PRO 37 Ca 0.14 1.40 0.16 0.00 0.02 0.00 0.00 61.00 62.71 1xqq s PRO 37 Cb -0.12 -1.73 0.53 0.00 0.02 0.00 0.00 34.50 33.20 1xqq s PRO 37 CO 0.03 -2.62 1.67 -1.35 -0.33 0.00 0.00 177.00 174.41 1xqq h PRO 38 N -1.85 0.00 0.00 5.54 0.11 -1.97 -3.08 132.00 130.75 1xqq h PRO 38 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1xqq h PRO 38 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.44 0.47 -1.03 -0.44 -0.21 0.00 0.00 178.00 177.23 1xqq h ASP 39 N 0.00 0.00 -0.45 -2.05 3.32 -1.91 -3.37 116.42 111.95 1xqq h ASP 39 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1xqq h ASP 39 Cb 1.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1xqq h ASP 39 CO 0.06 0.41 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.32 1xqq h GLN 40 N 0.00 0.84 -6.56 3.56 4.15 -1.77 -3.35 115.11 111.99 1xqq h GLN 40 Ca -0.08 -0.30 -0.53 0.00 0.77 0.00 0.00 58.65 58.51 1xqq h GLN 40 Cb 1.38 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.03 1xqq h GLN 40 CO 0.04 0.93 0.59 1.14 -1.93 0.00 0.00 178.83 179.60 1xqq s GLN 41 N -4.89 4.43 -0.26 1.69 -2.07 -1.21 -0.92 119.66 116.43 1xqq s GLN 41 Ca -0.12 1.87 -0.01 0.00 -1.82 0.00 0.00 55.36 55.27 1xqq s GLN 41 Cb 0.11 -3.29 0.08 0.00 -1.09 0.00 0.00 33.01 28.82 1xqq s GLN 41 CO 0.82 -0.24 0.05 0.50 -1.32 0.00 0.00 175.29 175.11 1xqq s ARG 42 N 0.62 0.83 -0.41 9.60 3.52 -0.64 -4.96 118.95 127.51 1xqq s ARG 42 Ca 0.58 -0.84 -0.26 0.00 -0.13 0.00 0.00 55.73 55.08 1xqq s ARG 42 Cb -0.32 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 1xqq s ARG 42 CO 0.32 -0.81 0.95 -0.51 -0.81 0.00 0.00 175.30 174.44 1xqq s LEU 43 N 1.67 3.96 -0.33 -0.88 1.43 -1.26 -1.61 118.68 121.64 1xqq s LEU 43 Ca 0.04 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 1xqq s LEU 43 Cb -0.17 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1xqq s LEU 43 CO -0.16 -0.97 0.24 -0.63 0.23 0.00 0.00 176.35 175.06 1xqq s ILE 44 N 3.69 5.28 -0.23 -0.59 1.01 0.16 -4.03 121.20 126.48 1xqq s ILE 44 Ca 0.39 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 1xqq s ILE 44 Cb -0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1xqq s ILE 44 CO 0.23 0.01 0.03 0.12 0.00 0.00 0.00 174.94 175.33 1xqq s PHE 45 N 1.74 3.04 0.00 3.97 5.36 -1.24 -0.00 117.98 130.85 1xqq s PHE 45 Ca 0.06 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 1xqq s PHE 45 Cb -0.17 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 1xqq s PHE 45 CO 0.11 -0.40 0.00 0.00 -1.46 0.00 0.00 175.22 173.47 1xqq n ALA 46 N 4.79 0.00 0.00 11.12 0.00 -1.26 -0.66 120.51 134.50 1xqq n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xqq n ALA 46 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 1.28 3.79 0.00 0.00 -1.26 -5.06 105.19 103.93 1xqq n GLY 47 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1xqq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -0.63 4.41 -0.17 1.61 1.02 0.17 -5.02 119.74 121.13 1xqq s LYS 48 Ca 0.01 0.97 -0.21 0.00 0.02 0.00 0.00 55.97 56.76 1xqq s LYS 48 Cb 0.00 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1xqq s LYS 48 CO 0.01 0.56 0.61 -1.14 -0.92 0.00 0.00 175.35 174.47 1xqq s GLN 49 N -0.98 4.25 0.06 1.68 0.74 -1.26 -3.60 119.66 120.55 1xqq s GLN 49 Ca 0.33 0.61 -0.10 0.00 0.05 0.00 0.00 55.36 56.25 1xqq s GLN 49 Cb -0.21 -3.54 -0.06 0.00 1.10 0.00 0.00 33.01 30.30 1xqq s GLN 49 CO 0.23 -0.14 0.39 -0.51 -0.55 0.00 0.00 175.29 174.70 1xqq s LEU 50 N 1.58 4.37 -0.10 3.68 1.43 -1.26 -5.07 118.68 123.32 1xqq s LEU 50 Ca 0.29 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 1xqq s LEU 50 Cb -0.16 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1xqq s LEU 50 CO 0.11 0.21 0.53 -1.61 0.23 0.00 0.00 176.35 175.81 1xqq s GLU 51 N -1.75 4.35 0.22 1.70 2.02 -1.26 -5.00 118.70 118.98 1xqq s GLU 51 Ca 0.31 0.55 -0.09 0.00 0.02 0.00 0.00 54.97 55.76 1xqq s GLU 51 Cb -0.14 -3.43 0.33 0.00 0.10 0.00 0.00 34.13 30.99 1xqq s GLU 51 CO 0.17 0.16 1.29 -0.25 0.02 0.00 0.00 175.26 176.65 1xqq n ASP 52 N 3.61 -0.36 -1.46 -0.19 9.92 -1.26 -2.38 116.55 124.43 1xqq n ASP 52 Ca -0.06 1.43 0.06 0.00 -0.53 0.00 0.00 54.79 55.68 1xqq n ASP 52 Cb 0.52 -0.40 0.32 0.00 -0.64 0.00 0.00 41.12 40.92 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.49 3.61 3.95 0.44 0.00 -1.26 -1.26 105.19 109.18 1xqq n GLY 53 Ca 0.12 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.85 3.12 0.22 1.61 0.52 -1.00 -4.95 118.95 115.62 1xqq s ARG 54 Ca 0.49 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1xqq s ARG 54 Cb 0.39 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1xqq s ARG 54 CO 0.12 -0.22 0.20 0.95 0.02 0.00 0.00 175.30 176.37 1xqq s THR 55 N -2.53 4.61 0.38 0.02 -4.23 -1.26 -1.79 115.64 110.83 1xqq s THR 55 Ca 0.47 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.86 1xqq s THR 55 Cb -0.10 -3.45 0.31 0.00 1.34 0.00 0.00 72.50 70.61 1xqq s THR 55 CO 0.38 -0.26 1.93 -0.07 -0.54 0.00 0.00 174.62 176.06 1xqq h LEU 56 N 1.77 0.58 -0.15 4.79 3.38 -0.86 -2.23 115.31 122.59 1xqq h LEU 56 Ca -0.49 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.62 0.35 0.06 0.77 0.09 0.00 0.00 178.44 180.33 1xqq h SER 57 N 0.65 0.20 -0.52 -0.43 4.64 -1.69 0.15 113.55 116.56 1xqq h SER 57 Ca 0.35 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1xqq h SER 57 Cb 0.50 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1xqq h SER 57 CO -0.13 0.30 0.33 -0.78 -0.87 0.00 0.00 176.83 175.68 1xqq h ASP 58 N 0.09 0.60 0.77 4.97 3.58 -1.70 -1.83 116.42 122.90 1xqq h ASP 58 Ca 0.05 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1xqq h ASP 58 Cb 0.16 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1xqq h ASP 58 CO -0.00 0.46 0.00 -1.22 -2.88 0.00 0.00 179.24 175.59 1xqq n TYR 59 N -4.71 0.08 -2.66 0.28 4.01 -1.06 -4.93 117.16 108.17 1xqq n TYR 59 Ca 0.03 0.03 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 1xqq n TYR 59 Cb 0.03 -0.54 0.02 0.00 -0.31 0.00 0.00 39.34 38.54 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 -1.56 -3.61 -4.48 7.72 3.02 -0.69 -4.97 115.26 110.69 1xqq n ASN 60 Ca 0.05 -0.15 -0.44 0.00 -0.03 0.00 0.00 54.58 54.02 1xqq n ASN 60 Cb 0.26 -2.45 -0.02 0.00 -0.61 0.00 0.00 39.78 36.96 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 -2.87 4.70 0.87 2.41 1.01 0.49 -5.00 121.20 122.81 1xqq s ILE 61 Ca 0.16 -1.85 -0.15 0.00 0.00 0.00 0.00 60.65 58.81 1xqq s ILE 61 Cb -0.07 -4.88 0.21 0.00 0.01 0.00 0.00 42.46 37.73 1xqq s ILE 61 CO 0.19 -1.63 1.04 0.00 0.00 0.00 0.00 174.94 174.55 1xqq n GLN 62 N 6.64 -1.57 -2.36 2.79 1.13 -1.26 -4.70 117.38 118.05 1xqq n GLN 62 Ca 0.31 -1.63 -0.41 0.00 -1.94 0.00 0.00 57.00 53.33 1xqq n GLN 62 Cb 0.47 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.59 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 -5.30 4.49 -1.42 -1.09 -2.85 -1.26 -2.75 119.74 109.56 1xqq s LYS 63 Ca 0.61 1.90 -0.04 0.00 -1.00 0.00 0.00 55.97 57.44 1xqq s LYS 63 Cb -0.03 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 1xqq s LYS 63 CO 0.44 -0.08 0.56 0.39 0.10 0.00 0.00 175.35 176.76 1xqq n GLU 64 N 2.30 -4.50 -4.11 1.78 1.02 0.25 -4.99 120.64 112.39 1xqq n GLU 64 Ca 0.04 0.83 -0.32 0.00 -0.02 0.00 0.00 57.16 57.69 1xqq n GLU 64 Cb 0.44 -5.52 -0.07 0.00 -0.02 0.00 0.00 31.44 26.27 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.74 5.51 -0.16 1.62 0.15 -1.11 -4.92 113.70 112.05 1xqq s SER 65 Ca 0.28 0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.99 1xqq s SER 65 Cb -0.12 -1.52 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 1xqq s SER 65 CO 0.34 0.23 -0.17 -0.89 1.20 0.00 0.00 173.24 173.96 1xqq s THR 66 N -1.26 1.77 -0.19 6.45 2.01 -1.26 -1.32 115.64 121.85 1xqq s THR 66 Ca 0.25 -0.76 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1xqq s THR 66 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1xqq s THR 66 CO 0.17 0.49 0.10 -0.76 -0.69 0.00 0.00 174.62 173.92 1xqq s LEU 67 N 1.37 4.01 -0.46 4.42 1.43 0.23 -4.65 118.68 125.02 1xqq s LEU 67 Ca 0.04 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 1xqq s LEU 67 Cb -0.13 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.15 1xqq s LEU 67 CO -0.11 0.18 0.36 -1.00 0.23 0.00 0.00 176.35 176.01 1xqq s HIS 68 N 0.33 3.29 -0.25 0.29 3.76 1.00 -1.75 115.29 121.96 1xqq s HIS 68 Ca 0.06 -1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 53.45 1xqq s HIS 68 Cb -0.12 -3.18 0.01 0.00 1.11 0.00 0.00 32.58 30.40 1xqq s HIS 68 CO -0.01 -0.85 1.04 -1.17 -0.85 0.00 0.00 174.74 172.91 1xqq s LEU 69 N 1.55 4.07 -0.04 0.89 2.96 -0.28 -0.67 118.68 127.16 1xqq s LEU 69 Ca 0.04 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 1xqq s LEU 69 Cb -0.25 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1xqq s LEU 69 CO 0.04 -0.71 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.56 1xqq s VAL 70 N 3.28 3.26 0.08 1.68 1.01 -0.64 -4.13 120.40 124.94 1xqq s VAL 70 Ca 0.44 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1xqq s VAL 70 Cb -0.15 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1xqq s VAL 70 CO 0.08 0.54 0.35 -0.76 0.00 0.00 0.00 175.10 175.31 1xqq s LEU 71 N -0.90 4.33 0.26 3.92 1.43 -1.26 -1.62 118.68 124.83 1xqq s LEU 71 Ca 0.13 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1xqq s LEU 71 Cb -0.11 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1xqq s LEU 71 CO 0.02 0.15 0.42 -0.13 0.23 0.00 0.00 176.35 177.05 1xqq s ARG 72 N -2.14 3.48 -0.00 1.70 0.52 -0.10 -4.97 118.95 117.44 1xqq s ARG 72 Ca 0.34 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 1xqq s ARG 72 Cb -0.13 -2.81 -0.10 0.00 0.52 0.00 0.00 34.95 32.43 1xqq s ARG 72 CO 0.20 0.34 0.88 -0.07 0.02 0.00 0.00 175.30 176.67 1xqq h LEU 73 N 1.35 -0.56 0.15 2.53 3.38 -1.99 -3.41 115.31 116.76 1xqq h LEU 73 Ca -0.50 0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.18 1xqq h LEU 73 Cb 1.21 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1xqq h LEU 73 CO 0.64 -0.24 -1.52 -0.09 0.09 0.00 0.00 178.44 177.31 1xqq h ARG 74 N -0.99 0.32 -1.34 1.13 2.43 -1.97 -3.50 114.38 110.47 1xqq h ARG 74 Ca -0.07 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1xqq h ARG 74 Cb 0.51 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xqq h ARG 74 CO 0.11 1.21 0.00 0.41 -1.51 0.00 0.00 179.97 180.19 1xqq n GLY 75 N 1.69 0.53 0.00 2.80 0.00 -1.26 -4.93 105.19 104.01 1xqq n GLY 75 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93