#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 0.36 3.17 -0.21 -1.26 -1.97 119.66 123.93 1xqq s GLN 2 Ca 0.00 0.29 0.08 0.00 0.02 0.00 0.00 55.36 55.75 1xqq s GLN 2 Cb 0.00 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1xqq s GLN 2 CO 0.00 -0.09 0.21 0.96 -2.12 0.00 0.00 175.29 174.25 1xqq s ILE 3 N 1.47 2.93 -0.19 1.08 -5.25 -0.58 0.34 121.20 121.00 1xqq s ILE 3 Ca 0.21 -1.58 -0.00 0.00 -0.99 0.00 0.00 60.65 58.28 1xqq s ILE 3 Cb -0.15 -3.02 0.01 0.00 2.95 0.00 0.00 42.46 42.25 1xqq s ILE 3 CO 0.09 -0.12 -0.16 -0.36 -1.79 0.00 0.00 174.94 172.60 1xqq s PHE 4 N -2.44 2.82 -0.47 1.37 0.08 -0.36 -1.30 117.98 117.68 1xqq s PHE 4 Ca 0.40 -1.39 -0.16 0.00 0.12 0.00 0.00 56.93 55.90 1xqq s PHE 4 Cb -0.02 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1xqq s PHE 4 CO 0.24 -0.70 0.42 0.08 -0.10 0.00 0.00 175.22 175.16 1xqq s VAL 5 N 1.27 5.19 -0.15 -0.44 1.01 0.39 -1.80 120.40 125.87 1xqq s VAL 5 Ca 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1xqq s VAL 5 Cb -0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1xqq s VAL 5 CO -0.09 -0.58 0.08 -0.75 0.00 0.00 0.00 175.10 173.76 1xqq s LYS 6 N 1.79 3.72 0.57 2.72 2.20 -0.92 -1.33 119.74 128.49 1xqq s LYS 6 Ca 0.06 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 1xqq s LYS 6 Cb -0.23 -3.16 0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1xqq s LYS 6 CO 0.08 0.46 0.78 0.25 -0.36 0.00 0.00 175.35 176.56 1xqq n THR 7 N 2.95 0.00 0.03 3.43 -2.24 -1.25 -1.24 114.28 115.96 1xqq n THR 7 Ca -0.18 -1.28 -0.02 0.00 -2.27 0.00 0.00 64.05 60.30 1xqq n THR 7 Cb 0.53 -0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.09 -8.09 3.22 3.38 -1.94 -3.45 115.31 108.34 1xqq h LEU 8 Ca -0.26 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 1xqq h LEU 8 Cb 0.97 0.02 -0.33 0.00 0.09 0.00 0.00 40.66 41.41 1xqq h LEU 8 CO 0.28 0.04 -0.84 -0.89 0.09 0.00 0.00 178.44 177.13 1xqq s THR 9 N -1.91 1.45 0.00 0.22 2.01 -1.26 -5.01 115.64 111.14 1xqq s THR 9 Ca -0.02 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1xqq s THR 9 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1xqq s THR 9 CO 0.05 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1xqq n GLY 10 N 3.78 0.32 3.54 4.40 0.00 -1.26 -5.10 105.19 110.86 1xqq n GLY 10 Ca -0.21 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N 0.00 1.41 -0.05 1.61 -2.85 -1.26 -5.03 119.74 113.56 1xqq s LYS 11 Ca 0.00 -0.71 -0.17 0.00 -1.00 0.00 0.00 55.97 54.09 1xqq s LYS 11 Cb 0.00 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1xqq s LYS 11 CO 0.00 -0.62 0.45 0.99 0.10 0.00 0.00 175.35 176.27 1xqq s THR 12 N -3.83 5.08 -0.07 3.79 2.01 -1.26 -3.92 115.64 117.44 1xqq s THR 12 Ca 0.06 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1xqq s THR 12 Cb -0.02 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1xqq s THR 12 CO -0.06 0.46 -0.06 0.27 -0.69 0.00 0.00 174.62 174.54 1xqq s ILE 13 N -0.27 3.76 -0.26 1.82 -4.36 -0.44 -4.93 121.20 116.52 1xqq s ILE 13 Ca 0.25 -0.46 -0.10 0.00 -0.26 0.00 0.00 60.65 60.08 1xqq s ILE 13 Cb -0.16 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 1xqq s ILE 13 CO 0.12 0.59 0.15 -0.89 0.24 0.00 0.00 174.94 175.16 1xqq s THR 14 N -0.76 5.08 0.44 8.37 2.01 -1.26 -0.46 115.64 129.06 1xqq s THR 14 Ca 0.12 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1xqq s THR 14 Cb -0.11 -3.40 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 1xqq s THR 14 CO 0.02 0.29 0.01 -0.76 -0.69 0.00 0.00 174.62 173.49 1xqq s LEU 15 N 1.57 2.71 -0.17 4.42 1.43 -0.42 -4.97 118.68 123.25 1xqq s LEU 15 Ca 0.07 -1.45 0.01 0.00 -1.03 0.00 0.00 54.13 51.73 1xqq s LEU 15 Cb -0.15 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1xqq s LEU 15 CO 0.08 -0.57 -0.20 -1.61 0.23 0.00 0.00 176.35 174.29 1xqq s GLU 16 N -3.76 2.93 0.18 1.70 2.02 -1.26 -1.53 118.70 118.98 1xqq s GLU 16 Ca 0.27 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1xqq s GLU 16 Cb 0.08 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1xqq s GLU 16 CO 0.14 -0.20 0.08 0.14 0.02 0.00 0.00 175.26 175.44 1xqq s VAL 17 N 1.27 0.24 0.22 2.63 -7.23 -0.83 -4.95 120.40 111.74 1xqq s VAL 17 Ca 0.04 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.13 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1xqq s VAL 17 CO -0.12 -0.22 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.65 1xqq s GLU 18 N -4.06 1.47 0.60 4.82 2.02 -1.26 0.12 118.70 122.41 1xqq s GLU 18 Ca 0.32 -1.61 0.39 0.00 0.02 0.00 0.00 54.97 54.08 1xqq s GLU 18 Cb 0.07 -1.50 1.94 0.00 0.10 0.00 0.00 34.13 34.74 1xqq s GLU 18 CO 0.08 0.28 2.18 -1.35 0.02 0.00 0.00 175.26 176.47 1xqq h PRO 19 N 2.66 0.00 -0.00 0.39 0.11 -1.92 -2.97 132.00 130.27 1xqq h PRO 19 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xqq h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xqq h PRO 19 CO 0.57 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.21 1xqq n SER 20 N -3.02 0.38 -4.78 -2.05 3.41 -1.26 -1.32 113.62 104.98 1xqq n SER 20 Ca -0.01 -0.88 -0.37 0.00 -0.26 0.00 0.00 58.87 57.34 1xqq n SER 20 Cb 0.16 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.18 7.21 0.96 4.04 1.01 -1.12 -4.89 116.67 121.69 1xqq s ASP 21 Ca 0.39 1.89 -0.15 0.00 0.71 0.00 0.00 52.55 55.40 1xqq s ASP 21 Cb 0.21 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.73 1xqq s ASP 21 CO 0.40 -0.17 1.20 0.42 0.21 0.00 0.00 175.17 177.23 1xqq s THR 22 N -1.62 1.93 0.17 -1.27 -4.23 -1.26 -2.01 115.64 107.34 1xqq s THR 22 Ca 0.52 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.90 1xqq s THR 22 Cb -0.20 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.88 1xqq s THR 22 CO 0.25 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.45 1xqq h ILE 23 N -1.66 1.22 -1.01 2.99 1.08 -1.09 -2.92 117.51 116.12 1xqq h ILE 23 Ca -0.47 -0.71 0.23 0.00 -0.39 0.00 0.00 64.86 63.53 1xqq h ILE 23 Cb 1.29 0.64 -0.11 0.00 -3.07 0.00 0.00 36.82 35.57 1xqq h ILE 23 CO 0.50 0.27 0.61 -0.08 -0.69 0.00 0.00 178.15 178.77 1xqq h GLU 24 N 0.77 0.58 0.00 2.37 4.81 -1.51 0.48 114.58 122.08 1xqq h GLU 24 Ca 0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1xqq h GLU 24 Cb 0.21 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1xqq h GLU 24 CO -0.01 0.39 0.00 -0.97 -0.73 0.00 0.00 179.01 177.68 1xqq h ASN 25 N 0.60 0.00 0.12 1.04 -0.73 -1.78 -3.13 115.58 111.70 1xqq h ASN 25 Ca 0.62 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.61 1xqq h ASN 25 Cb 1.18 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.79 1xqq h ASN 25 CO -0.41 0.00 -0.75 0.58 -0.37 0.00 0.00 177.43 176.47 1xqq h VAL 26 N 0.00 1.52 -0.24 2.57 2.07 0.05 -3.33 116.25 118.89 1xqq h VAL 26 Ca 0.00 -2.48 0.07 0.00 0.82 0.00 0.00 66.70 65.11 1xqq h VAL 26 Cb 0.66 3.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1xqq h VAL 26 CO 0.00 0.70 0.47 0.11 0.02 0.00 0.00 177.57 178.87 1xqq h LYS 27 N -0.37 0.00 0.00 1.57 1.57 -1.03 -1.23 116.57 117.08 1xqq h LYS 27 Ca -0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 1xqq h LYS 27 Cb 1.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.86 1xqq h LYS 27 CO 0.14 0.00 -1.27 0.00 -0.57 0.00 0.00 179.45 177.75 1xqq h ALA 28 N 1.29 0.65 0.00 3.86 0.00 -1.65 -0.39 119.26 123.02 1xqq h ALA 28 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1xqq h ALA 28 Cb 1.05 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1xqq h ALA 28 CO -0.00 1.08 -0.25 0.87 0.00 0.00 0.00 179.25 180.95 1xqq h LYS 29 N 0.00 0.00 0.02 0.00 1.57 -1.37 -2.54 116.57 114.25 1xqq h LYS 29 Ca -0.15 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.34 1xqq h LYS 29 Cb 1.68 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.95 1xqq h LYS 29 CO 0.07 0.25 -1.70 0.82 -0.57 0.00 0.00 179.45 178.32 1xqq h ILE 30 N 0.00 0.88 -0.82 1.86 2.04 -1.19 -3.02 117.51 117.26 1xqq h ILE 30 Ca -0.00 -2.69 0.07 0.00 1.00 0.00 0.00 64.86 63.23 1xqq h ILE 30 Cb 0.61 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 1xqq h ILE 30 CO 0.03 0.59 0.54 -0.61 0.00 0.00 0.00 178.15 178.70 1xqq h GLN 31 N 0.01 0.85 0.44 2.37 4.15 -1.10 -0.67 115.11 121.17 1xqq h GLN 31 Ca -0.29 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 1xqq h GLN 31 Cb 2.00 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.51 1xqq h GLN 31 CO 0.09 0.57 -0.21 -0.44 -1.93 0.00 0.00 178.83 176.90 1xqq h ASP 32 N 0.88 -0.50 0.03 -0.69 5.19 -1.55 -3.26 116.42 116.52 1xqq h ASP 32 Ca 0.36 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1xqq h ASP 32 Cb 0.26 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1xqq h ASP 32 CO -0.13 -0.19 -0.02 0.50 -3.12 0.00 0.00 179.24 176.28 1xqq h LYS 33 N -0.83 -0.04 0.05 3.56 1.63 -1.28 -3.39 116.57 116.28 1xqq h LYS 33 Ca -0.06 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.38 1xqq h LYS 33 Cb 0.56 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 1xqq h LYS 33 CO 0.10 0.65 -2.11 0.39 -3.45 0.00 0.00 179.45 175.03 1xqq n GLU 34 N -4.75 0.67 0.00 1.90 -0.58 -0.31 -5.04 120.64 112.53 1xqq n GLU 34 Ca -0.08 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1xqq n GLU 34 Cb 0.35 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.89 1.69 3.80 0.62 0.00 -1.04 -5.05 105.19 107.10 1xqq n GLY 35 Ca -0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 4.94 0.32 -0.61 1.01 -1.26 -4.98 121.20 118.63 1xqq s ILE 36 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 1xqq s ILE 36 Cb 0.00 -3.82 -0.11 0.00 0.01 0.00 0.00 42.46 38.55 1xqq s ILE 36 CO 0.00 0.51 1.50 -2.84 0.00 0.00 0.00 174.94 174.11 1xqq s PRO 37 N -0.73 4.16 0.50 2.79 0.02 -1.26 -4.30 135.00 136.18 1xqq s PRO 37 Ca 0.27 2.50 0.23 0.00 0.02 0.00 0.00 61.00 64.01 1xqq s PRO 37 Cb -0.18 -3.02 1.30 0.00 0.02 0.00 0.00 34.50 32.63 1xqq s PRO 37 CO 0.15 -0.51 2.04 -1.35 -0.33 0.00 0.00 177.00 177.00 1xqq h PRO 38 N 3.99 0.00 -0.12 5.54 0.11 -1.93 -0.30 132.00 139.29 1xqq h PRO 38 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xqq h PRO 38 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.72 0.14 -0.08 0.38 -0.21 0.00 0.00 178.00 178.95 1xqq h ASP 39 N 0.00 0.16 0.96 -2.05 2.03 -2.00 -3.07 116.42 112.45 1xqq h ASP 39 Ca -0.00 -0.02 -0.15 0.00 -0.73 0.00 0.00 57.03 56.12 1xqq h ASP 39 Cb 0.33 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 38.77 1xqq h ASP 39 CO 0.02 0.27 -1.12 -0.61 -1.03 0.00 0.00 179.24 176.77 1xqq h GLN 40 N 0.17 0.00 -6.23 4.15 4.15 -1.37 -3.46 115.11 112.52 1xqq h GLN 40 Ca 0.04 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.89 1xqq h GLN 40 Cb 0.26 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1xqq h GLN 40 CO 0.01 0.39 0.98 -0.65 -1.93 0.00 0.00 178.83 177.63 1xqq s GLN 41 N -2.92 4.08 -0.25 1.69 -0.21 -0.79 -1.90 119.66 119.36 1xqq s GLN 41 Ca -0.01 1.62 -0.05 0.00 0.02 0.00 0.00 55.36 56.95 1xqq s GLN 41 Cb 0.08 -3.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 1xqq s GLN 41 CO 0.79 -0.91 0.01 0.50 -2.12 0.00 0.00 175.29 173.56 1xqq s ARG 42 N 3.91 3.32 -0.24 2.91 3.52 -0.19 -4.90 118.95 127.29 1xqq s ARG 42 Ca 0.60 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.41 1xqq s ARG 42 Cb -0.22 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1xqq s ARG 42 CO 0.21 -0.27 0.21 -0.51 -0.81 0.00 0.00 175.30 174.13 1xqq s LEU 43 N 1.50 4.11 -0.25 -0.88 1.43 -1.26 -0.52 118.68 122.81 1xqq s LEU 43 Ca 0.05 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1xqq s LEU 43 Cb -0.15 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1xqq s LEU 43 CO -0.01 0.02 0.09 -0.63 0.23 0.00 0.00 176.35 176.06 1xqq s ILE 44 N 1.19 4.46 -0.32 -0.59 -1.09 0.64 -1.36 121.20 124.13 1xqq s ILE 44 Ca 0.10 -0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 1xqq s ILE 44 Cb -0.14 -3.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 1xqq s ILE 44 CO 0.06 0.33 0.07 0.12 -1.23 0.00 0.00 174.94 174.28 1xqq s PHE 45 N 1.63 3.22 0.00 3.97 5.36 -0.57 0.16 117.98 131.75 1xqq s PHE 45 Ca 0.06 -1.43 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1xqq s PHE 45 Cb -0.15 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1xqq s PHE 45 CO 0.05 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.09 1xqq n ALA 46 N 4.78 0.00 -0.02 11.12 0.00 -1.26 -2.10 120.51 133.02 1xqq n ALA 46 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.56 3.91 0.00 0.00 -1.26 -5.06 105.19 102.22 1xqq n GLY 47 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.65 2.73 0.18 1.61 1.02 -0.89 -5.10 119.74 116.64 1xqq s LYS 48 Ca -0.05 -1.33 -0.09 0.00 0.02 0.00 0.00 55.97 54.52 1xqq s LYS 48 Cb 0.06 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1xqq s LYS 48 CO 0.49 -0.08 0.49 -1.14 -0.92 0.00 0.00 175.35 174.19 1xqq s GLN 49 N -4.13 3.76 -0.26 1.68 0.74 -1.26 -1.51 119.66 118.69 1xqq s GLN 49 Ca 0.47 0.19 -0.09 0.00 0.05 0.00 0.00 55.36 55.97 1xqq s GLN 49 Cb -0.06 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 1xqq s GLN 49 CO 0.29 0.40 0.13 -0.51 -0.55 0.00 0.00 175.29 175.05 1xqq s LEU 50 N -2.59 3.81 -0.10 3.68 1.43 -0.47 -4.92 118.68 119.52 1xqq s LEU 50 Ca 0.43 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1xqq s LEU 50 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1xqq s LEU 50 CO 0.22 -0.01 0.07 -1.61 0.23 0.00 0.00 176.35 175.24 1xqq s GLU 51 N 1.50 3.20 0.02 1.70 2.02 -1.26 -4.73 118.70 121.15 1xqq s GLU 51 Ca 0.06 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 1xqq s GLU 51 Cb -0.15 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 1xqq s GLU 51 CO 0.07 0.74 0.53 -0.25 0.02 0.00 0.00 175.26 176.37 1xqq n ASP 52 N 2.06 -0.13 -1.81 -0.19 8.00 -1.26 -2.28 116.55 120.95 1xqq n ASP 52 Ca -0.19 0.56 -0.06 0.00 0.71 0.00 0.00 54.79 55.81 1xqq n ASP 52 Cb 0.54 -0.20 0.28 0.00 -0.02 0.00 0.00 41.12 41.72 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N -1.03 3.94 3.90 0.44 0.00 -1.26 -1.36 105.19 109.82 1xqq n GLY 53 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.04 3.46 0.64 1.61 0.52 -0.96 -4.95 118.95 116.22 1xqq s ARG 54 Ca 0.53 -0.31 -0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1xqq s ARG 54 Cb 0.43 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.86 1xqq s ARG 54 CO 0.11 0.65 0.95 0.95 0.02 0.00 0.00 175.30 177.99 1xqq s THR 55 N -1.36 3.00 -0.86 0.02 -4.23 -1.26 -2.33 115.64 108.62 1xqq s THR 55 Ca 0.29 -0.13 0.27 0.00 -1.18 0.00 0.00 61.69 60.94 1xqq s THR 55 Cb -0.13 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.71 1xqq s THR 55 CO 0.20 -0.25 1.79 0.18 -0.54 0.00 0.00 174.62 176.01 1xqq n LEU 56 N -2.74 0.42 0.02 4.79 4.32 -0.85 -2.33 117.00 120.64 1xqq n LEU 56 Ca 0.06 0.48 -0.13 0.00 -0.02 0.00 0.00 56.01 56.41 1xqq n LEU 56 Cb 0.59 -0.39 -0.09 0.00 -1.62 0.00 0.00 43.42 41.91 1xqq n LEU 56 CO 0.52 -0.07 0.63 -1.28 -1.22 0.00 0.00 177.39 175.98 1xqq h SER 57 N 0.00 -0.06 -0.23 -1.43 0.87 -1.47 -0.79 113.55 110.44 1xqq h SER 57 Ca 0.00 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1xqq h SER 57 Cb 0.62 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1xqq h SER 57 CO 0.00 0.36 0.00 -0.78 -0.53 0.00 0.00 176.83 175.88 1xqq h ASP 58 N -0.50 -0.09 1.11 6.23 3.58 -1.84 -1.73 116.42 123.19 1xqq h ASP 58 Ca -0.01 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1xqq h ASP 58 Cb 0.44 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1xqq h ASP 58 CO 0.01 -0.01 -0.01 1.88 -2.88 0.00 0.00 179.24 178.23 1xqq h TYR 59 N 0.07 0.00 -6.02 0.28 0.05 -1.48 -3.48 116.97 106.40 1xqq h TYR 59 Ca 0.11 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.64 1xqq h TYR 59 Cb 0.14 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.89 1xqq h TYR 59 CO -0.19 0.01 -0.56 -1.71 -1.05 0.00 0.00 178.16 174.66 1xqq n ASN 60 N -3.10 -6.32 -4.83 3.88 5.15 -0.38 -5.01 115.26 104.64 1xqq n ASN 60 Ca 0.01 -0.55 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 1xqq n ASN 60 Cb 0.33 -3.64 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.06 5.22 0.16 -1.44 1.01 -0.73 -5.05 121.20 117.31 1xqq s ILE 61 Ca 0.07 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1xqq s ILE 61 Cb -0.02 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 1xqq s ILE 61 CO 0.82 0.56 0.02 0.00 0.00 0.00 0.00 174.94 176.33 1xqq n GLN 62 N 2.19 1.31 -2.55 2.79 6.02 -1.26 -4.82 117.38 121.05 1xqq n GLN 62 Ca -0.15 -1.24 -0.36 0.00 -0.01 0.00 0.00 57.00 55.23 1xqq n GLN 62 Cb 0.53 0.45 -0.04 0.00 1.02 0.00 0.00 30.24 32.20 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -2.60 4.12 -1.57 -1.09 -2.85 -1.26 -3.84 119.74 110.65 1xqq s LYS 63 Ca 0.03 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.47 1xqq s LYS 63 Cb 0.00 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1xqq s LYS 63 CO 0.02 -0.18 0.00 0.39 0.10 0.00 0.00 175.35 175.68 1xqq n GLU 64 N -0.21 -1.13 -4.00 1.78 1.02 0.15 -4.97 120.64 113.29 1xqq n GLU 64 Ca 0.06 0.97 -0.21 0.00 -0.02 0.00 0.00 57.16 57.95 1xqq n GLU 64 Cb 0.50 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.71 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 -2.69 6.17 -0.33 1.62 0.15 -1.25 -4.78 113.70 112.60 1xqq s SER 65 Ca 0.00 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 1xqq s SER 65 Cb 0.00 -1.78 0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1xqq s SER 65 CO 0.00 -0.06 0.08 -0.89 1.20 0.00 0.00 173.24 173.57 1xqq s THR 66 N -2.00 3.51 0.28 6.45 2.01 -1.26 -1.22 115.64 123.41 1xqq s THR 66 Ca 0.34 -1.27 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 1xqq s THR 66 Cb -0.09 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1xqq s THR 66 CO 0.28 -0.19 0.76 -0.76 -0.69 0.00 0.00 174.62 174.03 1xqq s LEU 67 N 1.34 4.21 -0.20 4.42 1.43 -0.75 -4.81 118.68 124.33 1xqq s LEU 67 Ca -0.02 1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 54.44 1xqq s LEU 67 Cb -0.20 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1xqq s LEU 67 CO 0.01 -0.09 0.03 -1.00 0.23 0.00 0.00 176.35 175.53 1xqq s HIS 68 N -1.74 3.10 -0.36 0.29 3.76 0.12 -2.16 115.29 118.29 1xqq s HIS 68 Ca 0.49 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.99 1xqq s HIS 68 Cb -0.14 -2.10 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1xqq s HIS 68 CO 0.19 -0.14 0.20 -1.17 -0.85 0.00 0.00 174.74 172.98 1xqq s LEU 69 N 0.89 4.62 0.13 0.89 2.96 -0.37 -0.26 118.68 127.53 1xqq s LEU 69 Ca 0.02 -0.88 0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1xqq s LEU 69 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1xqq s LEU 69 CO 0.02 -0.35 0.06 -0.69 -1.32 0.00 0.00 176.35 174.08 1xqq s VAL 70 N 1.58 4.24 -0.05 1.68 1.01 0.32 -3.84 120.40 125.35 1xqq s VAL 70 Ca 0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1xqq s VAL 70 Cb -0.19 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1xqq s VAL 70 CO 0.07 0.00 0.41 -0.76 0.00 0.00 0.00 175.10 174.82 1xqq s LEU 71 N -2.70 4.40 -0.11 3.92 1.02 -1.26 -1.02 118.68 122.93 1xqq s LEU 71 Ca 0.29 0.87 -0.14 0.00 0.02 0.00 0.00 54.13 55.16 1xqq s LEU 71 Cb -0.11 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.48 1xqq s LEU 71 CO 0.21 0.23 0.34 0.00 0.02 0.00 0.00 176.35 177.15 1xqq s ARG 72 N -0.51 4.13 0.00 1.70 1.70 -0.80 -4.88 118.95 120.29 1xqq s ARG 72 Ca 0.23 0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 1xqq s ARG 72 Cb -0.16 -3.36 0.00 0.00 -0.57 0.00 0.00 34.95 30.86 1xqq s ARG 72 CO 0.11 0.37 0.00 -0.11 -1.08 0.00 0.00 175.30 174.59 1xqq n LEU 73 N 3.07 0.00 -4.77 -1.89 7.94 -1.26 -4.74 117.00 115.35 1xqq n LEU 73 Ca -0.12 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.43 1xqq n LEU 73 Cb 0.52 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.49 1xqq n LEU 73 CO 0.39 -0.16 0.80 -0.13 -1.11 0.00 0.00 177.39 177.18 1xqq s ARG 74 N 0.70 3.15 0.00 1.96 1.81 -1.26 -4.41 118.95 120.90 1xqq s ARG 74 Ca 0.00 1.67 0.00 0.00 -1.72 0.00 0.00 55.73 55.68 1xqq s ARG 74 Cb 0.00 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1xqq s ARG 74 CO 0.00 -1.03 0.00 0.41 -0.68 0.00 0.00 175.30 174.00 1xqq n GLY 75 N 0.23 2.24 0.00 -3.53 0.00 -1.26 -5.32 105.19 97.54 1xqq n GLY 75 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93