#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 3.52 0.30 3.17 -0.21 -1.26 -0.57 119.66 124.61 1xqq s GLN 2 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.21 1xqq s GLN 2 Cb 0.00 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 1xqq s GLN 2 CO 0.00 0.64 0.07 0.44 -2.12 0.00 0.00 175.29 174.32 1xqq n ILE 3 N 0.91 0.00 -5.11 1.08 -5.35 -0.22 -0.77 119.36 109.91 1xqq n ILE 3 Ca -0.10 -1.62 -0.31 0.00 -0.27 0.00 0.00 62.75 60.45 1xqq n ILE 3 Cb 0.53 0.51 -0.17 0.00 -1.74 0.00 0.00 39.64 38.76 1xqq n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xqq s PHE 4 N -2.49 2.35 -0.10 4.28 0.08 -0.13 -2.02 117.98 119.94 1xqq s PHE 4 Ca 0.10 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.24 1xqq s PHE 4 Cb 0.00 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1xqq s PHE 4 CO 0.07 -0.38 -0.16 0.08 -0.10 0.00 0.00 175.22 174.73 1xqq s VAL 5 N 0.35 2.78 -0.12 -0.44 1.01 0.44 -0.83 120.40 123.59 1xqq s VAL 5 Ca -0.17 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1xqq s VAL 5 Cb -0.17 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1xqq s VAL 5 CO 0.08 0.55 -0.19 -0.54 0.00 0.00 0.00 175.10 174.99 1xqq s LYS 6 N 0.07 3.16 1.13 2.72 1.02 -0.38 0.20 119.74 127.66 1xqq s LYS 6 Ca -0.07 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 1xqq s LYS 6 Cb -0.15 -2.46 0.27 0.00 -0.52 0.00 0.00 37.83 34.97 1xqq s LYS 6 CO 0.05 0.13 1.22 0.95 -0.92 0.00 0.00 175.35 176.78 1xqq s THR 7 N 0.51 1.73 0.08 2.17 -4.23 -0.63 0.83 115.64 116.10 1xqq s THR 7 Ca -0.13 0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.04 1xqq s THR 7 Cb -0.17 -2.72 -0.17 0.00 1.34 0.00 0.00 72.50 70.79 1xqq s THR 7 CO 0.05 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 175.97 1xqq h LEU 8 N -2.30 -1.13 -0.91 4.79 5.85 -1.86 -3.12 115.31 116.62 1xqq h LEU 8 Ca -0.43 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1xqq h LEU 8 Cb 1.25 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.60 1xqq h LEU 8 CO 0.30 -0.63 0.30 0.71 -0.34 0.00 0.00 178.44 178.78 1xqq h THR 9 N -0.99 1.25 0.00 1.05 1.35 -1.95 -3.47 112.91 110.15 1xqq h THR 9 Ca -0.07 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1xqq h THR 9 Cb 0.82 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1xqq h THR 9 CO 0.02 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1xqq n GLY 10 N -0.94 0.94 3.72 5.82 0.00 -1.18 -5.12 105.19 108.42 1xqq n GLY 10 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 4.37 -0.17 1.61 2.20 -1.26 -4.89 119.74 121.60 1xqq s LYS 11 Ca 0.00 0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 1xqq s LYS 11 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1xqq s LYS 11 CO 0.00 0.10 0.49 0.99 -0.36 0.00 0.00 175.35 176.57 1xqq s THR 12 N 0.77 5.15 -0.47 3.43 2.01 -1.26 -1.61 115.64 123.67 1xqq s THR 12 Ca 0.30 0.93 -0.13 0.00 0.31 0.00 0.00 61.69 63.10 1xqq s THR 12 Cb -0.16 -3.82 0.09 0.00 0.01 0.00 0.00 72.50 68.62 1xqq s THR 12 CO 0.13 0.25 0.37 -0.63 -0.69 0.00 0.00 174.62 174.04 1xqq s ILE 13 N 1.18 4.79 0.09 1.82 1.01 0.13 -4.97 121.20 125.26 1xqq s ILE 13 Ca 0.24 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1xqq s ILE 13 Cb -0.15 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1xqq s ILE 13 CO 0.10 -0.63 1.17 -0.89 0.00 0.00 0.00 174.94 174.68 1xqq s THR 14 N 1.53 4.01 -0.07 2.92 2.01 -1.26 -0.42 115.64 124.37 1xqq s THR 14 Ca 0.04 1.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 1xqq s THR 14 Cb -0.25 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1xqq s THR 14 CO 0.04 0.16 0.14 -0.22 -0.69 0.00 0.00 174.62 174.04 1xqq s LEU 15 N 0.68 0.63 -0.05 4.42 2.96 -0.86 -4.95 118.68 121.50 1xqq s LEU 15 Ca 0.56 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 1xqq s LEU 15 Cb -0.29 0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1xqq s LEU 15 CO 0.31 -0.16 0.09 -0.70 -1.32 0.00 0.00 176.35 174.57 1xqq s GLU 16 N 1.33 3.18 0.21 1.98 2.12 -1.26 -1.06 118.70 125.20 1xqq s GLU 16 Ca -0.07 -0.36 -0.20 0.00 0.36 0.00 0.00 54.97 54.70 1xqq s GLU 16 Cb -0.12 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.36 1xqq s GLU 16 CO -0.06 0.70 0.60 0.14 -0.54 0.00 0.00 175.26 176.09 1xqq s VAL 17 N -1.10 0.01 -0.11 3.70 -7.23 0.27 -4.97 120.40 110.97 1xqq s VAL 17 Ca 0.19 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1xqq s VAL 17 Cb -0.12 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1xqq s VAL 17 CO 0.09 -0.05 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.08 1xqq s GLU 18 N -3.86 2.17 0.42 4.82 2.02 -1.26 0.59 118.70 123.60 1xqq s GLU 18 Ca 0.08 -0.54 0.22 0.00 0.02 0.00 0.00 54.97 54.76 1xqq s GLU 18 Cb -0.02 -1.89 0.37 0.00 0.10 0.00 0.00 34.13 32.68 1xqq s GLU 18 CO -0.02 -0.10 1.61 -1.00 0.02 0.00 0.00 175.26 175.77 1xqq h PRO 19 N 7.55 0.00 -0.43 0.39 0.13 -1.95 -2.58 132.00 135.11 1xqq h PRO 19 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xqq h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xqq h PRO 19 CO 0.49 0.08 0.00 -1.13 -0.23 0.00 0.00 178.00 177.21 1xqq n SER 20 N -3.12 2.91 -4.99 1.44 3.41 -1.26 -1.68 113.62 110.34 1xqq n SER 20 Ca 0.03 -1.94 -0.20 0.00 -0.26 0.00 0.00 58.87 56.51 1xqq n SER 20 Cb 0.55 -0.28 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.28 5.08 0.47 4.04 1.11 -0.97 -4.93 116.67 120.20 1xqq s ASP 21 Ca 0.37 -0.73 0.08 0.00 0.18 0.00 0.00 52.55 52.45 1xqq s ASP 21 Cb 0.20 0.13 0.02 0.00 1.07 0.00 0.00 42.92 44.34 1xqq s ASP 21 CO 0.28 -1.33 0.51 0.42 1.18 0.00 0.00 175.17 176.23 1xqq s THR 22 N -2.69 2.46 0.41 -1.27 -4.23 -1.26 -3.59 115.64 105.48 1xqq s THR 22 Ca 0.61 -1.22 0.15 0.00 -1.18 0.00 0.00 61.69 60.06 1xqq s THR 22 Cb -0.06 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.26 1xqq s THR 22 CO 0.39 0.00 1.93 0.40 -0.54 0.00 0.00 174.62 176.80 1xqq h ILE 23 N 0.71 1.13 -0.96 2.99 1.08 -0.96 -0.68 117.51 120.83 1xqq h ILE 23 Ca -0.38 -0.88 0.09 0.00 -0.39 0.00 0.00 64.86 63.30 1xqq h ILE 23 Cb 1.28 1.48 -0.07 0.00 -3.07 0.00 0.00 36.82 36.44 1xqq h ILE 23 CO 0.51 0.25 0.60 -0.33 -0.69 0.00 0.00 178.15 178.48 1xqq h GLU 24 N 0.00 0.98 0.00 2.37 5.08 -1.84 0.16 114.58 121.34 1xqq h GLU 24 Ca -0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xqq h GLU 24 Cb 0.46 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1xqq h GLU 24 CO 0.03 0.65 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.54 1xqq h ASN 25 N 1.01 0.00 -0.18 1.42 4.21 -1.47 -1.58 115.58 118.99 1xqq h ASN 25 Ca 0.45 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.82 1xqq h ASN 25 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1xqq h ASN 25 CO -0.22 0.24 -0.41 0.58 -1.29 0.00 0.00 177.43 176.32 1xqq h VAL 26 N 0.00 1.34 -0.29 2.81 2.07 -0.72 -3.31 116.25 118.14 1xqq h VAL 26 Ca -0.00 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1xqq h VAL 26 Cb 0.53 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1xqq h VAL 26 CO 0.03 0.51 0.00 0.11 0.02 0.00 0.00 177.57 178.24 1xqq h LYS 27 N 0.25 0.43 0.00 1.57 1.57 -0.81 -2.65 116.57 116.94 1xqq h LYS 27 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb 1.02 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xqq h LYS 27 CO 0.09 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.43 1xqq n ALA 28 N -2.48 1.31 0.08 3.86 0.00 -0.61 -0.92 120.51 121.73 1xqq n ALA 28 Ca 0.01 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1xqq n ALA 28 Cb 0.22 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 1xqq n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xqq h LYS 29 N 0.00 0.38 -0.72 0.00 1.79 -1.60 -2.57 116.57 113.84 1xqq h LYS 29 Ca 0.00 -0.64 -0.04 0.00 -2.18 0.00 0.00 60.65 57.78 1xqq h LYS 29 Cb 0.16 0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1xqq h LYS 29 CO 0.00 1.29 0.28 0.82 -1.08 0.00 0.00 179.45 180.76 1xqq h ILE 30 N 0.10 1.25 -0.07 1.86 2.04 -1.55 0.50 117.51 121.64 1xqq h ILE 30 Ca -0.32 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1xqq h ILE 30 Cb 2.09 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1xqq h ILE 30 CO 0.18 0.32 -0.37 -0.61 0.00 0.00 0.00 178.15 177.67 1xqq h GLN 31 N 1.04 0.15 0.44 2.37 4.15 -1.14 -1.32 115.11 120.81 1xqq h GLN 31 Ca 0.24 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1xqq h GLN 31 Cb 0.22 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1xqq h GLN 31 CO -0.02 0.51 -0.21 0.22 -1.93 0.00 0.00 178.83 177.39 1xqq h ASP 32 N 0.13 -0.50 0.03 -0.69 3.58 -1.20 -3.24 116.42 114.53 1xqq h ASP 32 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1xqq h ASP 32 Cb 0.72 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1xqq h ASP 32 CO 0.05 -0.08 -0.14 0.50 -2.88 0.00 0.00 179.24 176.70 1xqq h LYS 33 N -1.15 -0.19 0.03 0.28 1.63 -0.92 -3.37 116.57 112.87 1xqq h LYS 33 Ca -0.06 0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.50 1xqq h LYS 33 Cb 0.47 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1xqq h LYS 33 CO 0.10 -0.13 -1.37 0.93 -3.45 0.00 0.00 179.45 175.53 1xqq h GLU 34 N -0.20 0.06 -0.52 1.90 4.39 -1.49 -3.51 114.58 115.21 1xqq h GLU 34 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xqq h GLU 34 Cb 0.20 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1xqq h GLU 34 CO -0.08 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 179.23 1xqq n GLY 35 N 1.55 0.60 3.05 -3.84 0.00 -0.95 -5.04 105.19 100.55 1xqq n GLY 35 Ca -0.31 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.82 1.14 0.53 -0.61 1.01 -1.26 -5.02 121.20 115.17 1xqq s ILE 36 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1xqq s ILE 36 Cb 0.00 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1xqq s ILE 36 CO 0.00 0.35 0.92 -2.16 0.00 0.00 0.00 174.94 174.04 1xqq s PRO 37 N 0.42 3.67 0.49 2.79 0.04 -1.26 -4.34 135.00 136.81 1xqq s PRO 37 Ca -0.10 0.59 0.28 0.00 0.04 0.00 0.00 61.00 61.81 1xqq s PRO 37 Cb -0.13 -2.22 0.92 0.00 0.04 0.00 0.00 34.50 33.11 1xqq s PRO 37 CO 0.03 -0.34 1.82 -1.00 0.04 0.00 0.00 177.00 177.55 1xqq h PRO 38 N 0.27 0.00 -0.57 0.56 0.13 -1.92 0.26 132.00 130.74 1xqq h PRO 38 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1xqq h PRO 38 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1xqq h PRO 38 CO 0.62 0.07 0.05 0.38 -0.23 0.00 0.00 178.00 178.89 1xqq h ASP 39 N 0.00 0.93 0.53 1.44 2.03 -2.00 -3.29 116.42 116.07 1xqq h ASP 39 Ca -0.00 -0.28 -0.24 0.00 -0.73 0.00 0.00 57.03 55.78 1xqq h ASP 39 Cb 0.74 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1xqq h ASP 39 CO 0.01 0.98 -1.04 -0.61 -1.03 0.00 0.00 179.24 177.55 1xqq h GLN 40 N 0.85 0.29 -6.46 4.15 4.15 -1.29 -3.43 115.11 113.37 1xqq h GLN 40 Ca 0.17 -0.38 -0.54 0.00 0.77 0.00 0.00 58.65 58.67 1xqq h GLN 40 Cb 0.47 0.12 0.04 0.00 0.21 0.00 0.00 27.48 28.32 1xqq h GLN 40 CO 0.02 1.11 1.12 1.04 -1.93 0.00 0.00 178.83 180.18 1xqq n GLN 41 N -3.63 2.73 -3.97 1.69 6.02 -0.23 -1.40 117.38 118.59 1xqq n GLN 41 Ca -0.06 0.99 -0.28 0.00 -0.01 0.00 0.00 57.00 57.64 1xqq n GLN 41 Cb 0.90 -2.89 -0.17 0.00 1.02 0.00 0.00 30.24 29.10 1xqq n GLN 41 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1xqq s ARG 42 N 3.05 1.86 -0.22 -1.09 3.52 -0.68 -4.87 118.95 120.53 1xqq s ARG 42 Ca 0.84 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 56.01 1xqq s ARG 42 Cb -0.50 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1xqq s ARG 42 CO 0.39 -0.25 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.09 1xqq s LEU 43 N 1.59 2.91 -0.34 -0.88 1.43 -1.26 -2.20 118.68 119.93 1xqq s LEU 43 Ca 0.05 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1xqq s LEU 43 Cb -0.13 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1xqq s LEU 43 CO -0.09 -0.02 0.16 -0.63 0.23 0.00 0.00 176.35 176.00 1xqq s ILE 44 N 1.47 4.38 -0.27 -0.59 -1.09 -0.20 -2.47 121.20 122.42 1xqq s ILE 44 Ca 0.06 -0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 57.60 1xqq s ILE 44 Cb -0.14 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1xqq s ILE 44 CO -0.03 -0.10 0.22 0.12 -1.23 0.00 0.00 174.94 173.92 1xqq s PHE 45 N 1.54 3.24 0.00 3.97 5.36 -0.74 -0.27 117.98 131.07 1xqq s PHE 45 Ca 0.02 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1xqq s PHE 45 Cb -0.18 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 1xqq s PHE 45 CO 0.05 -0.13 0.00 0.00 -1.46 0.00 0.00 175.22 173.68 1xqq n ALA 46 N 4.98 0.00 -2.91 11.12 0.00 -1.26 -0.94 120.51 131.50 1xqq n ALA 46 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1xqq n ALA 46 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 2.41 2.97 0.00 0.00 -1.26 -5.07 105.19 104.24 1xqq n GLY 47 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.41 0.53 0.06 1.61 2.20 -0.12 -5.14 119.74 116.48 1xqq s LYS 48 Ca 0.32 -0.22 -0.27 0.00 -0.36 0.00 0.00 55.97 55.44 1xqq s LYS 48 Cb 0.40 -0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 36.14 1xqq s LYS 48 CO -0.03 0.12 0.86 -1.14 -0.36 0.00 0.00 175.35 174.80 1xqq s GLN 49 N -0.07 4.58 0.05 4.03 0.74 -1.26 -1.80 119.66 125.93 1xqq s GLN 49 Ca 0.01 1.24 -0.30 0.00 0.05 0.00 0.00 55.36 56.36 1xqq s GLN 49 Cb -0.03 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1xqq s GLN 49 CO -0.00 0.21 1.06 -0.51 -0.55 0.00 0.00 175.29 175.50 1xqq s LEU 50 N 0.10 4.39 0.69 3.68 2.01 -1.03 -4.99 118.68 123.53 1xqq s LEU 50 Ca 0.43 1.82 -0.11 0.00 0.01 0.00 0.00 54.13 56.29 1xqq s LEU 50 Cb -0.22 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.41 1xqq s LEU 50 CO 0.26 -0.30 1.06 -1.61 1.01 0.00 0.00 176.35 176.76 1xqq s GLU 51 N 0.80 3.03 -0.02 1.70 2.02 -1.26 -4.92 118.70 120.04 1xqq s GLU 51 Ca 0.53 0.93 -0.24 0.00 0.02 0.00 0.00 54.97 56.21 1xqq s GLU 51 Cb -0.25 -2.00 -0.18 0.00 0.10 0.00 0.00 34.13 31.81 1xqq s GLU 51 CO 0.29 -1.03 1.13 -0.44 0.02 0.00 0.00 175.26 175.23 1xqq h ASP 52 N -0.67 -0.17 -0.72 -0.19 5.19 -1.95 -3.31 116.42 114.60 1xqq h ASP 52 Ca -0.44 -0.34 -0.19 0.00 -0.62 0.00 0.00 57.03 55.45 1xqq h ASP 52 Cb 1.21 0.05 -0.11 0.00 0.18 0.00 0.00 39.33 40.65 1xqq h ASP 52 CO 0.57 0.29 0.23 0.61 -3.12 0.00 0.00 179.24 177.83 1xqq n GLY 53 N 0.17 3.57 3.56 2.75 0.00 -1.26 -2.23 105.19 111.75 1xqq n GLY 53 Ca -0.09 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.97 1.98 0.66 1.61 0.52 -1.25 -4.98 118.95 114.53 1xqq s ARG 54 Ca 0.55 -1.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1xqq s ARG 54 Cb 0.44 -1.95 0.11 0.00 0.52 0.00 0.00 34.95 34.07 1xqq s ARG 54 CO 0.14 0.32 0.91 0.95 0.02 0.00 0.00 175.30 177.64 1xqq s THR 55 N -2.44 2.16 0.15 0.02 -4.23 -1.26 -2.15 115.64 107.90 1xqq s THR 55 Ca 0.31 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1xqq s THR 55 Cb -0.05 -2.41 -0.16 0.00 1.34 0.00 0.00 72.50 71.21 1xqq s THR 55 CO 0.18 0.00 1.36 -0.07 -0.54 0.00 0.00 174.62 175.55 1xqq h LEU 56 N -0.24 0.00 -2.56 4.79 4.07 -1.38 -3.12 115.31 116.87 1xqq h LEU 56 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1xqq h LEU 56 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1xqq h LEU 56 CO 0.40 0.90 0.00 0.28 -1.08 0.00 0.00 178.44 178.95 1xqq h SER 57 N 0.00 0.00 0.04 -0.43 0.02 -1.65 0.12 113.55 111.65 1xqq h SER 57 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1xqq h SER 57 Cb 1.61 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.16 1xqq h SER 57 CO 0.12 0.00 -0.46 0.44 -1.14 0.00 0.00 176.83 175.79 1xqq h ASP 58 N 0.00 0.33 0.55 3.07 5.19 -1.85 -3.21 116.42 120.51 1xqq h ASP 58 Ca 0.00 -0.86 -0.15 0.00 -0.62 0.00 0.00 57.03 55.40 1xqq h ASP 58 Cb 0.10 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1xqq h ASP 58 CO 0.00 1.15 -0.69 1.88 -3.12 0.00 0.00 179.24 178.46 1xqq h TYR 59 N -0.44 0.16 -1.49 4.55 0.05 -1.60 -3.48 116.97 114.72 1xqq h TYR 59 Ca -0.07 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1xqq h TYR 59 Cb 1.26 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1xqq h TYR 59 CO 0.19 0.77 0.00 -1.71 -1.05 0.00 0.00 178.16 176.36 1xqq n ASN 60 N -3.77 -1.29 -4.73 3.88 5.15 -0.24 -5.09 115.26 109.18 1xqq n ASN 60 Ca -0.02 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.61 1xqq n ASN 60 Cb 0.68 -0.32 -0.08 0.00 -0.53 0.00 0.00 39.78 39.52 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 -2.40 5.21 0.41 -1.44 1.01 0.27 -5.00 121.20 119.25 1xqq s ILE 61 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1xqq s ILE 61 Cb 0.00 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1xqq s ILE 61 CO 0.00 0.49 0.10 -1.10 0.00 0.00 0.00 174.94 174.43 1xqq s GLN 62 N 0.05 1.94 0.06 2.79 -0.21 -1.26 -4.35 119.66 118.67 1xqq s GLN 62 Ca 0.08 -2.18 -0.36 0.00 0.02 0.00 0.00 55.36 52.92 1xqq s GLN 62 Cb -0.12 -0.78 -0.15 0.00 1.00 0.00 0.00 33.01 32.96 1xqq s GLN 62 CO -0.00 -0.43 1.51 1.17 -2.12 0.00 0.00 175.29 175.43 1xqq n LYS 63 N -0.94 1.59 -3.11 2.91 4.81 -1.26 -2.98 118.16 119.18 1xqq n LYS 63 Ca -0.07 0.58 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1xqq n LYS 63 Cb 0.65 -2.29 0.07 0.00 0.02 0.00 0.00 35.03 33.49 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xqq n GLU 64 N 3.51 -4.60 -4.48 1.64 1.02 0.05 -5.00 120.64 112.78 1xqq n GLU 64 Ca 0.19 0.70 -0.31 0.00 -0.02 0.00 0.00 57.16 57.72 1xqq n GLU 64 Cb 0.23 -5.20 -0.11 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.93 4.25 -0.29 1.62 0.01 -1.16 -4.90 113.70 109.30 1xqq s SER 65 Ca 0.08 -0.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1xqq s SER 65 Cb -0.01 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1xqq s SER 65 CO 0.60 0.25 0.18 -0.89 0.41 0.00 0.00 173.24 173.78 1xqq s THR 66 N -1.03 5.09 0.02 1.44 2.01 -1.26 -0.96 115.64 120.96 1xqq s THR 66 Ca 0.17 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1xqq s THR 66 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1xqq s THR 66 CO 0.08 0.19 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.43 1xqq s LEU 67 N 1.72 3.41 -0.17 4.42 1.02 -0.01 -4.59 118.68 124.48 1xqq s LEU 67 Ca 0.06 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.09 1xqq s LEU 67 Cb -0.16 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 1xqq s LEU 67 CO 0.09 0.26 -0.03 -1.00 0.02 0.00 0.00 176.35 175.69 1xqq s HIS 68 N -1.11 3.02 -0.37 0.29 3.76 0.62 -1.25 115.29 120.25 1xqq s HIS 68 Ca 0.20 -0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 54.62 1xqq s HIS 68 Cb -0.11 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.61 1xqq s HIS 68 CO 0.11 -0.10 0.23 -1.17 -0.85 0.00 0.00 174.74 172.96 1xqq s LEU 69 N 0.53 4.73 0.34 0.89 2.96 0.24 -1.04 118.68 127.34 1xqq s LEU 69 Ca -0.03 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 1xqq s LEU 69 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1xqq s LEU 69 CO 0.03 -0.36 0.12 0.68 -1.32 0.00 0.00 176.35 175.50 1xqq s VAL 70 N 1.62 0.61 0.45 1.68 -7.23 -0.94 -2.79 120.40 113.80 1xqq s VAL 70 Ca 0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1xqq s VAL 70 Cb -0.19 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1xqq s VAL 70 CO 0.08 0.00 0.45 -0.76 -0.31 0.00 0.00 175.10 174.56 1xqq s LEU 71 N -3.47 3.32 -0.25 1.32 1.43 -1.26 -1.68 118.68 118.09 1xqq s LEU 71 Ca 0.32 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1xqq s LEU 71 Cb 0.05 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.32 1xqq s LEU 71 CO 0.16 -0.79 -0.11 -0.60 0.23 0.00 0.00 176.35 175.24 1xqq s ARG 72 N -4.24 2.34 0.00 1.70 3.52 -0.49 -4.79 118.95 116.99 1xqq s ARG 72 Ca 0.49 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1xqq s ARG 72 Cb -0.04 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1xqq s ARG 72 CO 0.29 -0.54 0.00 1.28 -0.81 0.00 0.00 175.30 175.52 1xqq n LEU 73 N 4.47 0.00 -0.00 -0.88 4.77 -1.26 -4.66 117.00 119.43 1xqq n LEU 73 Ca -0.15 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1xqq n LEU 73 Cb 0.43 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1xqq n LEU 73 CO 0.22 0.00 -0.01 0.03 -1.33 0.00 0.00 177.39 176.30 1xqq h ARG 74 N 0.00 0.00 -7.65 3.23 -0.00 -2.03 -3.48 114.38 104.44 1xqq h ARG 74 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 59.03 1xqq h ARG 74 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 29.97 30.11 1xqq h ARG 74 CO 0.00 0.00 0.36 0.20 0.00 0.00 0.00 179.97 180.53 1xqq s GLY 75 N -2.45 1.67 0.00 0.04 0.00 -1.26 -5.30 107.32 100.02 1xqq s GLY 75 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1xqq s GLY 75 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.49