#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 4.36 0.01 3.17 -0.21 -1.26 -1.33 119.66 124.40 1xqq s GLN 2 Ca 0.00 0.84 0.06 0.00 0.02 0.00 0.00 55.36 56.28 1xqq s GLN 2 Cb 0.00 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 1xqq s GLN 2 CO 0.00 0.40 -0.19 0.96 -2.12 0.00 0.00 175.29 174.34 1xqq s ILE 3 N -0.34 1.48 -0.05 1.08 -4.36 -0.48 -2.90 121.20 115.63 1xqq s ILE 3 Ca 0.33 -0.95 -0.03 0.00 -0.26 0.00 0.00 60.65 59.73 1xqq s ILE 3 Cb -0.19 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1xqq s ILE 3 CO 0.19 0.29 0.11 -0.36 0.24 0.00 0.00 174.94 175.41 1xqq s PHE 4 N -0.61 3.42 -0.08 1.37 0.08 -0.82 -1.67 117.98 119.68 1xqq s PHE 4 Ca 0.07 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.49 1xqq s PHE 4 Cb -0.08 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1xqq s PHE 4 CO 0.00 0.62 -0.18 0.08 -0.10 0.00 0.00 175.22 175.64 1xqq s VAL 5 N -1.13 1.59 -0.20 -0.44 1.01 -0.59 -0.14 120.40 120.50 1xqq s VAL 5 Ca 0.20 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1xqq s VAL 5 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1xqq s VAL 5 CO 0.10 0.45 0.31 -0.54 0.00 0.00 0.00 175.10 175.43 1xqq s LYS 6 N 0.41 4.16 0.74 2.72 1.02 0.04 -0.93 119.74 127.90 1xqq s LYS 6 Ca -0.14 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 1xqq s LYS 6 Cb -0.16 -3.51 0.12 0.00 -0.52 0.00 0.00 37.83 33.76 1xqq s LYS 6 CO 0.06 0.04 1.02 0.95 -0.92 0.00 0.00 175.35 176.50 1xqq s THR 7 N 1.07 2.18 -0.12 2.17 -4.23 -0.71 -0.65 115.64 115.36 1xqq s THR 7 Ca 0.15 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.03 1xqq s THR 7 Cb -0.14 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.87 1xqq s THR 7 CO 0.06 0.00 0.42 0.25 -0.54 0.00 0.00 174.62 174.81 1xqq h LEU 8 N -0.63 -0.01 0.00 4.79 5.85 -1.89 -3.38 115.31 120.03 1xqq h LEU 8 Ca -0.39 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1xqq h LEU 8 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1xqq h LEU 8 CO 0.43 0.72 0.00 0.35 -0.34 0.00 0.00 178.44 179.60 1xqq n THR 9 N -4.71 0.00 0.00 1.05 -2.24 -1.26 -4.91 114.28 102.21 1xqq n THR 9 Ca -0.05 1.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.98 1xqq n THR 9 Cb 0.24 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 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 -0.99 0.00 3.41 3.38 0.00 -1.26 -5.16 105.19 104.57 1xqq n GLY 10 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 1.55 -0.43 1.61 1.02 -1.26 -4.98 119.74 117.25 1xqq s LYS 11 Ca 0.00 -1.28 -0.06 0.00 0.02 0.00 0.00 55.97 54.66 1xqq s LYS 11 Cb 0.00 -1.96 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 1xqq s LYS 11 CO 0.00 0.47 0.25 0.99 -0.92 0.00 0.00 175.35 176.13 1xqq s THR 12 N -1.05 3.70 -0.19 2.17 2.01 -1.26 -1.74 115.64 119.29 1xqq s THR 12 Ca 0.15 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.15 1xqq s THR 12 Cb -0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1xqq s THR 12 CO 0.06 -0.67 0.37 0.27 -0.69 0.00 0.00 174.62 173.97 1xqq s ILE 13 N 1.26 5.23 -0.30 1.82 -4.36 -0.11 -4.93 121.20 119.80 1xqq s ILE 13 Ca 0.06 0.66 -0.29 0.00 -0.26 0.00 0.00 60.65 60.82 1xqq s ILE 13 Cb -0.24 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 39.77 1xqq s ILE 13 CO -0.02 0.28 1.36 -0.89 0.24 0.00 0.00 174.94 175.91 1xqq s THR 14 N 1.12 4.05 0.11 8.37 2.01 -1.26 -1.54 115.64 128.50 1xqq s THR 14 Ca 0.18 1.17 0.09 0.00 0.31 0.00 0.00 61.69 63.45 1xqq s THR 14 Cb -0.14 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1xqq s THR 14 CO 0.07 -0.48 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.52 1xqq s LEU 15 N 4.61 2.29 -0.22 4.42 1.43 -0.67 -4.97 118.68 125.57 1xqq s LEU 15 Ca 0.59 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1xqq s LEU 15 Cb -0.17 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1xqq s LEU 15 CO 0.25 0.14 0.11 -0.70 0.23 0.00 0.00 176.35 176.38 1xqq s GLU 16 N -1.87 3.96 0.16 1.70 2.12 -1.26 -1.38 118.70 122.13 1xqq s GLU 16 Ca 0.10 -0.33 -0.09 0.00 0.36 0.00 0.00 54.97 55.01 1xqq s GLU 16 Cb -0.10 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1xqq s GLU 16 CO 0.05 0.09 0.29 0.14 -0.54 0.00 0.00 175.26 175.28 1xqq s VAL 17 N 0.93 0.07 0.43 3.70 -7.23 -0.44 -4.97 120.40 112.89 1xqq s VAL 17 Ca 0.06 -1.36 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1xqq s VAL 17 Cb -0.13 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1xqq s VAL 17 CO 0.03 -0.30 0.53 -1.61 -0.31 0.00 0.00 175.10 173.44 1xqq s GLU 18 N -3.96 2.69 0.24 4.82 0.41 -1.26 0.94 118.70 122.57 1xqq s GLU 18 Ca 0.17 -1.38 -0.05 0.00 -0.41 0.00 0.00 54.97 53.30 1xqq s GLU 18 Cb 0.03 -2.62 0.35 0.00 -1.78 0.00 0.00 34.13 30.11 1xqq s GLU 18 CO -0.00 -0.30 1.85 -1.35 -0.49 0.00 0.00 175.26 174.96 1xqq h PRO 19 N 0.72 0.93 0.00 0.39 0.11 -1.96 -2.84 132.00 129.36 1xqq h PRO 19 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xqq h PRO 19 CO 0.49 0.62 0.00 -1.13 -0.21 0.00 0.00 178.00 177.76 1xqq n SER 20 N -4.63 0.00 -4.86 -2.05 3.41 -1.26 -1.46 113.62 102.78 1xqq n SER 20 Ca 0.13 -0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 1xqq n SER 20 Cb 0.19 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.35 6.62 0.63 4.04 1.01 -1.07 -4.90 116.67 120.65 1xqq s ASP 21 Ca 0.19 1.32 0.03 0.00 0.71 0.00 0.00 52.55 54.81 1xqq s ASP 21 Cb 0.11 -2.40 0.10 0.00 1.01 0.00 0.00 42.92 41.74 1xqq s ASP 21 CO 0.23 -0.42 0.87 0.42 0.21 0.00 0.00 175.17 176.48 1xqq s THR 22 N -2.37 2.26 0.12 -1.27 -4.23 -1.26 -1.86 115.64 107.04 1xqq s THR 22 Ca 0.55 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 60.15 1xqq s THR 22 Cb -0.10 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 1xqq s THR 22 CO 0.28 0.00 1.55 0.40 -0.54 0.00 0.00 174.62 176.31 1xqq h ILE 23 N -0.15 1.26 -0.76 2.99 1.08 -1.43 -1.54 117.51 118.95 1xqq h ILE 23 Ca -0.35 -1.05 0.18 0.00 -0.39 0.00 0.00 64.86 63.25 1xqq h ILE 23 Cb 1.28 1.18 -0.12 0.00 -3.07 0.00 0.00 36.82 36.08 1xqq h ILE 23 CO 0.42 0.35 0.14 -0.08 -0.69 0.00 0.00 178.15 178.29 1xqq h GLU 24 N 0.51 0.20 0.00 2.37 4.81 -1.65 -0.68 114.58 120.14 1xqq h GLU 24 Ca 0.11 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1xqq h GLU 24 Cb 0.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xqq h GLU 24 CO 0.02 0.13 -0.69 -0.91 -0.73 0.00 0.00 179.01 176.84 1xqq h ASN 25 N 0.21 0.00 0.44 1.04 2.35 -1.80 -2.04 115.58 115.78 1xqq h ASN 25 Ca 0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.17 1xqq h ASN 25 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1xqq h ASN 25 CO -0.58 0.69 -0.23 0.58 -1.65 0.00 0.00 177.43 176.24 1xqq h VAL 26 N 0.00 0.54 -0.05 2.81 2.07 -0.41 -3.03 116.25 118.17 1xqq h VAL 26 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1xqq h VAL 26 Cb 1.32 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1xqq h VAL 26 CO 0.09 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.86 1xqq h LYS 27 N -0.61 0.00 0.00 1.57 1.57 -1.07 -2.28 116.57 115.75 1xqq h LYS 27 Ca -0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1xqq h LYS 27 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1xqq h LYS 27 CO 0.09 0.00 -0.68 0.00 -0.57 0.00 0.00 179.45 178.29 1xqq h ALA 28 N 1.90 0.71 -0.03 3.86 0.00 -1.24 -1.53 119.26 122.92 1xqq h ALA 28 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1xqq h ALA 28 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xqq h ALA 28 CO -0.00 0.85 -0.02 0.87 0.00 0.00 0.00 179.25 180.95 1xqq h LYS 29 N 0.00 0.07 -0.86 0.00 1.79 -1.41 -1.15 116.57 115.01 1xqq h LYS 29 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1xqq h LYS 29 Cb 1.34 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.95 1xqq h LYS 29 CO 0.09 0.49 0.48 0.82 -1.08 0.00 0.00 179.45 180.25 1xqq h ILE 30 N -0.35 1.25 -0.98 1.86 2.04 -1.38 -1.12 117.51 118.82 1xqq h ILE 30 Ca 0.01 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1xqq h ILE 30 Cb 0.47 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1xqq h ILE 30 CO 0.01 0.27 0.64 -0.61 0.00 0.00 0.00 178.15 178.46 1xqq h GLN 31 N 1.20 1.19 0.00 2.37 4.15 -1.21 -0.99 115.11 121.81 1xqq h GLN 31 Ca 0.30 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1xqq h GLN 31 Cb 0.01 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.44 1xqq h GLN 31 CO -0.05 0.79 0.00 -3.47 -1.93 0.00 0.00 178.83 174.16 1xqq n ASP 32 N -4.45 0.00 0.09 -0.69 2.03 -0.44 -3.49 116.55 109.59 1xqq n ASP 32 Ca 0.14 0.80 -0.12 0.00 0.52 0.00 0.00 54.79 56.12 1xqq n ASP 32 Cb 0.12 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.96 1xqq n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1xqq h LYS 33 N 0.00 0.25 0.00 -0.67 1.57 -1.30 -3.39 116.57 113.02 1xqq h LYS 33 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1xqq h LYS 33 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xqq h LYS 33 CO 0.00 1.08 -0.66 0.39 -0.57 0.00 0.00 179.45 179.69 1xqq n GLU 34 N -3.60 0.36 0.00 3.15 -0.58 -0.81 -5.09 120.64 114.07 1xqq n GLU 34 Ca -0.06 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1xqq n GLU 34 Cb 0.90 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 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 1.49 1.53 3.03 0.62 0.00 -0.44 -5.01 105.19 106.41 1xqq n GLY 35 Ca -0.09 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.09 0.51 -0.61 1.01 -1.26 -4.98 121.20 115.78 1xqq s ILE 36 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1xqq s ILE 36 Cb 0.00 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 1xqq s ILE 36 CO 0.00 0.07 1.36 -2.84 0.00 0.00 0.00 174.94 173.53 1xqq s PRO 37 N 1.43 3.33 0.24 2.79 0.02 -1.26 -4.29 135.00 137.26 1xqq s PRO 37 Ca -0.08 2.24 0.26 0.00 0.02 0.00 0.00 61.00 63.44 1xqq s PRO 37 Cb -0.11 -2.37 0.78 0.00 0.02 0.00 0.00 34.50 32.82 1xqq s PRO 37 CO -0.08 -1.04 1.76 -1.00 -0.33 0.00 0.00 177.00 176.30 1xqq h PRO 38 N 1.72 0.00 0.11 5.54 0.13 -1.93 -2.02 132.00 135.56 1xqq h PRO 38 Ca -0.51 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 1xqq h PRO 38 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 38 CO 0.58 0.00 -1.45 0.22 -0.23 0.00 0.00 178.00 177.13 1xqq h ASP 39 N 0.00 0.36 0.64 1.44 3.58 -2.01 -3.30 116.42 117.14 1xqq h ASP 39 Ca 0.00 -0.47 -0.14 0.00 0.42 0.00 0.00 57.03 56.84 1xqq h ASP 39 Cb 0.74 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1xqq h ASP 39 CO 0.00 1.39 -0.64 -0.61 -2.88 0.00 0.00 179.24 176.50 1xqq h GLN 40 N 0.06 0.00 -6.75 0.28 5.75 -1.81 -3.42 115.11 109.22 1xqq h GLN 40 Ca -0.21 -0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.76 1xqq h GLN 40 Cb 1.99 0.00 0.06 0.00 1.07 0.00 0.00 27.48 30.61 1xqq h GLN 40 CO 0.17 0.65 0.78 -0.65 -2.65 0.00 0.00 178.83 177.12 1xqq s GLN 41 N -3.55 4.24 -0.17 1.69 -0.21 -0.80 -2.43 119.66 118.43 1xqq s GLN 41 Ca -0.01 2.35 -0.01 0.00 0.02 0.00 0.00 55.36 57.71 1xqq s GLN 41 Cb 0.12 -3.10 0.04 0.00 1.00 0.00 0.00 33.01 31.08 1xqq s GLN 41 CO 0.77 -0.46 -0.05 0.50 -2.12 0.00 0.00 175.29 173.93 1xqq s ARG 42 N -0.37 1.42 -0.27 2.91 3.52 -0.63 -4.81 118.95 120.72 1xqq s ARG 42 Ca 0.60 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 55.50 1xqq s ARG 42 Cb -0.43 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1xqq s ARG 42 CO 0.44 -0.45 0.45 -0.51 -0.81 0.00 0.00 175.30 174.42 1xqq s LEU 43 N 1.63 4.06 -0.15 -0.88 1.43 -1.26 -0.29 118.68 123.21 1xqq s LEU 43 Ca 0.00 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1xqq s LEU 43 Cb -0.15 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1xqq s LEU 43 CO -0.08 -0.25 -0.03 -0.63 0.23 0.00 0.00 176.35 175.59 1xqq s ILE 44 N 2.21 3.92 -0.38 -0.59 -1.09 -0.46 -1.65 121.20 123.16 1xqq s ILE 44 Ca 0.18 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1xqq s ILE 44 Cb -0.16 -2.71 0.08 0.00 -1.58 0.00 0.00 42.46 38.09 1xqq s ILE 44 CO 0.10 0.50 0.16 0.12 -1.23 0.00 0.00 174.94 174.59 1xqq s PHE 45 N 0.26 3.40 0.00 3.97 5.36 -0.51 -2.11 117.98 128.35 1xqq s PHE 45 Ca -0.03 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 54.03 1xqq s PHE 45 Cb -0.14 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1xqq s PHE 45 CO 0.03 -0.87 0.00 0.00 -1.46 0.00 0.00 175.22 172.92 1xqq n ALA 46 N 4.72 0.00 -2.16 11.12 0.00 -1.26 -1.37 120.51 131.55 1xqq n ALA 46 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 0.70 3.33 0.00 0.00 -1.26 -5.06 105.19 102.91 1xqq n GLY 47 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 2.86 0.11 1.61 2.47 -0.47 -5.07 119.74 121.25 1xqq s LYS 48 Ca 0.11 -1.02 -0.31 0.00 -1.56 0.00 0.00 55.97 53.19 1xqq s LYS 48 Cb 0.13 -3.51 -0.07 0.00 -1.46 0.00 0.00 37.83 32.91 1xqq s LYS 48 CO -0.06 -0.59 1.34 1.14 0.16 0.00 0.00 175.35 177.34 1xqq s GLN 49 N 1.48 4.35 -0.20 4.03 -2.07 -1.26 -1.42 119.66 124.57 1xqq s GLN 49 Ca 0.01 2.00 -0.18 0.00 -1.82 0.00 0.00 55.36 55.37 1xqq s GLN 49 Cb -0.19 -3.27 -0.03 0.00 -1.09 0.00 0.00 33.01 28.44 1xqq s GLN 49 CO 0.04 -0.38 0.52 -0.51 -1.32 0.00 0.00 175.29 173.64 1xqq s LEU 50 N 0.99 4.14 0.21 2.60 1.43 -0.66 -4.98 118.68 122.41 1xqq s LEU 50 Ca 0.62 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1xqq s LEU 50 Cb -0.35 -2.71 -0.08 0.00 0.03 0.00 0.00 46.19 43.08 1xqq s LEU 50 CO 0.31 -0.19 1.11 -1.61 0.23 0.00 0.00 176.35 176.20 1xqq s GLU 51 N 1.69 4.59 0.14 1.70 2.02 -1.26 -4.68 118.70 122.90 1xqq s GLU 51 Ca 0.24 1.76 -0.27 0.00 0.02 0.00 0.00 54.97 56.72 1xqq s GLU 51 Cb -0.15 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.77 1xqq s GLU 51 CO 0.10 0.09 1.44 -0.25 0.02 0.00 0.00 175.26 176.66 1xqq n ASP 52 N 2.07 -0.94 0.01 -0.19 8.00 -1.26 -2.69 116.55 121.55 1xqq n ASP 52 Ca 0.02 1.65 0.04 0.00 0.71 0.00 0.00 54.79 57.21 1xqq n ASP 52 Cb 0.46 -0.24 0.19 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.22 -0.79 3.97 0.44 0.00 -1.26 -1.86 105.19 104.47 1xqq n GLY 53 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.02 3.06 0.43 1.61 0.52 -1.09 -4.87 118.95 115.59 1xqq s ARG 54 Ca 0.04 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1xqq s ARG 54 Cb 0.05 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1xqq s ARG 54 CO 0.15 -0.15 0.73 0.95 0.02 0.00 0.00 175.30 177.00 1xqq s THR 55 N -2.40 4.93 0.21 0.02 -4.23 -1.26 -2.17 115.64 110.74 1xqq s THR 55 Ca 0.47 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.07 1xqq s THR 55 Cb -0.10 -3.83 0.16 0.00 1.34 0.00 0.00 72.50 70.07 1xqq s THR 55 CO 0.35 -0.70 1.79 -0.07 -0.54 0.00 0.00 174.62 175.46 1xqq h LEU 56 N 0.63 1.07 -1.33 4.79 3.38 -1.07 -2.08 115.31 120.70 1xqq h LEU 56 Ca -0.47 -0.15 0.29 0.00 0.09 0.00 0.00 57.88 57.63 1xqq h LEU 56 Cb 1.20 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1xqq h LEU 56 CO 0.62 0.92 0.68 0.77 0.09 0.00 0.00 178.44 181.53 1xqq h SER 57 N 1.14 0.44 -0.18 -0.43 4.64 -1.49 -2.30 113.55 115.36 1xqq h SER 57 Ca 0.27 0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.53 1xqq h SER 57 Cb 0.16 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1xqq h SER 57 CO -0.03 0.04 -0.52 -0.78 -0.87 0.00 0.00 176.83 174.67 1xqq h ASP 58 N 0.36 0.77 -0.01 4.97 3.58 -1.67 -1.73 116.42 122.69 1xqq h ASP 58 Ca 0.63 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xqq h ASP 58 Cb 1.64 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1xqq h ASP 58 CO -0.34 1.22 0.00 -1.22 -2.88 0.00 0.00 179.24 176.02 1xqq n TYR 59 N -4.14 0.01 -2.82 0.28 4.01 -1.14 -4.91 117.16 108.45 1xqq n TYR 59 Ca -0.06 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 1xqq n TYR 59 Cb 0.61 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.67 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 -0.49 -3.28 -4.66 7.72 4.13 -0.65 -5.00 115.26 113.03 1xqq n ASN 60 Ca 0.21 -0.19 -0.41 0.00 1.68 0.00 0.00 54.58 55.87 1xqq n ASN 60 Cb 0.21 -2.09 -0.05 0.00 -1.54 0.00 0.00 39.78 36.31 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 -3.11 4.90 0.49 2.41 1.01 -0.88 -5.03 121.20 120.99 1xqq s ILE 61 Ca 0.17 1.49 0.05 0.00 0.00 0.00 0.00 60.65 62.37 1xqq s ILE 61 Cb -0.08 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1xqq s ILE 61 CO 0.25 0.01 0.26 -1.10 0.00 0.00 0.00 174.94 174.36 1xqq s GLN 62 N 2.35 2.25 0.61 2.79 -0.21 -1.26 -4.56 119.66 121.64 1xqq s GLN 62 Ca 0.34 -2.00 -0.18 0.00 0.02 0.00 0.00 55.36 53.54 1xqq s GLN 62 Cb -0.16 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 1xqq s GLN 62 CO 0.10 -0.39 1.18 -1.59 -2.12 0.00 0.00 175.29 172.47 1xqq s LYS 63 N -4.08 2.90 0.00 2.91 -2.85 -1.26 -3.01 119.74 114.35 1xqq s LYS 63 Ca 0.32 1.72 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1xqq s LYS 63 Cb 0.00 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1xqq s LYS 63 CO 0.19 -1.24 0.00 0.39 0.10 0.00 0.00 175.35 174.79 1xqq n GLU 64 N -1.82 -0.76 -1.38 1.78 1.02 -1.14 -4.99 120.64 113.34 1xqq n GLU 64 Ca 0.13 0.19 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 1xqq n GLU 64 Cb 0.50 -4.39 0.09 0.00 -0.02 0.00 0.00 31.44 27.62 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 -2.09 4.46 -0.10 1.62 0.01 -1.16 -4.82 113.70 111.61 1xqq s SER 65 Ca 0.00 1.59 -0.00 0.00 1.31 0.00 0.00 55.95 58.84 1xqq s SER 65 Cb 0.00 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.92 1xqq s SER 65 CO 0.00 -2.03 -0.07 -0.89 0.41 0.00 0.00 173.24 170.66 1xqq s THR 66 N -3.00 0.91 0.20 1.44 2.01 -1.26 -1.94 115.64 114.00 1xqq s THR 66 Ca 0.61 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 1xqq s THR 66 Cb -0.16 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1xqq s THR 66 CO 0.56 0.34 0.49 -0.76 -0.69 0.00 0.00 174.62 174.56 1xqq s LEU 67 N 1.62 4.19 -0.18 4.42 1.43 0.80 -4.87 118.68 126.10 1xqq s LEU 67 Ca 0.02 0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 1xqq s LEU 67 Cb -0.13 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1xqq s LEU 67 CO -0.06 -0.04 -0.01 -2.28 0.23 0.00 0.00 176.35 174.18 1xqq s HIS 68 N -1.78 3.05 -0.53 0.29 5.65 -0.90 -0.78 115.29 120.28 1xqq s HIS 68 Ca 0.45 -0.34 -0.19 0.00 0.25 0.00 0.00 55.06 55.23 1xqq s HIS 68 Cb -0.11 -2.02 0.07 0.00 -1.18 0.00 0.00 32.58 29.34 1xqq s HIS 68 CO 0.23 -0.11 0.66 -1.17 -0.65 0.00 0.00 174.74 173.70 1xqq s LEU 69 N 0.63 5.07 0.00 8.88 2.96 0.18 -1.35 118.68 135.05 1xqq s LEU 69 Ca -0.01 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.84 1xqq s LEU 69 Cb -0.14 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1xqq s LEU 69 CO 0.02 -0.97 0.00 1.33 -1.32 0.00 0.00 176.35 175.41 1xqq n VAL 70 N 5.61 0.00 -4.36 1.68 0.24 0.60 -4.12 118.33 117.97 1xqq n VAL 70 Ca -0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.92 1xqq n VAL 70 Cb 0.45 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.56 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xqq s LEU 71 N 0.00 3.01 -0.25 1.34 1.43 -1.26 -1.61 118.68 121.35 1xqq s LEU 71 Ca 0.00 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1xqq s LEU 71 Cb 0.00 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1xqq s LEU 71 CO 0.00 0.22 0.23 -0.60 0.23 0.00 0.00 176.35 176.43 1xqq s ARG 72 N -1.86 4.05 0.36 1.70 3.52 -1.02 -4.74 118.95 120.96 1xqq s ARG 72 Ca 0.19 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1xqq s ARG 72 Cb -0.11 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1xqq s ARG 72 CO 0.11 -0.05 0.18 -0.51 -0.81 0.00 0.00 175.30 174.22 1xqq s LEU 73 N 1.39 3.28 0.66 -0.88 1.43 -1.26 -4.94 118.68 118.36 1xqq s LEU 73 Ca 0.10 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 1xqq s LEU 73 Cb -0.15 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1xqq s LEU 73 CO 0.07 -0.37 1.09 -0.13 0.23 0.00 0.00 176.35 177.24 1xqq s ARG 74 N -3.89 2.84 0.00 1.70 0.52 -1.26 -4.36 118.95 114.49 1xqq s ARG 74 Ca 0.39 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 1xqq s ARG 74 Cb -0.02 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1xqq s ARG 74 CO 0.23 -1.21 0.00 0.41 0.02 0.00 0.00 175.30 174.76 1xqq n GLY 75 N -0.80 2.20 0.00 -3.53 0.00 -1.26 -5.32 105.19 96.48 1xqq n GLY 75 Ca 0.10 -0.73 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