#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 3.97 0.19 3.17 -0.21 -1.26 -0.38 119.66 125.14 1xqq s GLN 2 Ca 0.00 0.47 0.10 0.00 0.02 0.00 0.00 55.36 55.95 1xqq s GLN 2 Cb 0.00 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1xqq s GLN 2 CO 0.00 0.52 -0.21 0.96 -2.12 0.00 0.00 175.29 174.43 1xqq s ILE 3 N -1.40 2.14 -0.29 1.08 -4.36 -0.41 -0.41 121.20 117.56 1xqq s ILE 3 Ca 0.35 -2.02 -0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1xqq s ILE 3 Cb -0.15 -2.02 0.04 0.00 1.25 0.00 0.00 42.46 41.58 1xqq s ILE 3 CO 0.19 -0.22 -0.02 -0.36 0.24 0.00 0.00 174.94 174.76 1xqq s PHE 4 N -1.90 3.22 -0.15 1.37 0.08 -0.30 -1.65 117.98 118.64 1xqq s PHE 4 Ca 0.19 -1.81 -0.08 0.00 0.12 0.00 0.00 56.93 55.36 1xqq s PHE 4 Cb -0.07 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1xqq s PHE 4 CO 0.09 -0.79 0.11 0.08 -0.10 0.00 0.00 175.22 174.61 1xqq s VAL 5 N 1.26 5.26 -0.18 -0.44 1.01 0.01 -1.37 120.40 125.95 1xqq s VAL 5 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1xqq s VAL 5 Cb -0.19 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1xqq s VAL 5 CO -0.02 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 174.96 1xqq s LYS 6 N -0.38 3.25 0.92 2.72 -0.14 -0.77 -0.32 119.74 125.02 1xqq s LYS 6 Ca 0.11 -0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 53.87 1xqq s LYS 6 Cb -0.12 -2.76 0.15 0.00 -1.68 0.00 0.00 37.83 33.42 1xqq s LYS 6 CO 0.01 -0.09 1.19 0.95 -0.76 0.00 0.00 175.35 176.66 1xqq s THR 7 N 1.11 1.96 -0.09 2.17 -4.23 -0.96 -0.79 115.64 114.80 1xqq s THR 7 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1xqq s THR 7 Cb -0.14 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.02 1xqq s THR 7 CO -0.03 0.00 1.62 -0.07 -0.54 0.00 0.00 174.62 175.60 1xqq h LEU 8 N -1.52 0.00 0.00 4.79 3.38 -1.92 -3.19 115.31 116.85 1xqq h LEU 8 Ca -0.47 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 1xqq h LEU 8 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 8 CO 0.55 0.31 -0.79 0.71 0.09 0.00 0.00 178.44 179.30 1xqq h THR 9 N 0.00 0.67 0.00 0.22 1.35 -1.94 -3.49 112.91 109.72 1xqq h THR 9 Ca -0.00 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 1xqq h THR 9 Cb 1.07 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1xqq h THR 9 CO 0.04 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 1xqq n GLY 10 N 1.27 0.96 3.46 5.82 0.00 -1.20 -5.14 105.19 110.36 1xqq n GLY 10 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.08 2.45 -0.31 1.61 2.20 -1.26 -4.92 119.74 119.60 1xqq s LYS 11 Ca 0.00 -0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 54.63 1xqq s LYS 11 Cb 0.00 -2.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1xqq s LYS 11 CO 0.00 0.62 0.88 0.99 -0.36 0.00 0.00 175.35 177.48 1xqq s THR 12 N -0.73 4.71 -0.33 3.43 2.01 -1.26 -2.27 115.64 121.20 1xqq s THR 12 Ca 0.11 1.39 -0.24 0.00 0.31 0.00 0.00 61.69 63.26 1xqq s THR 12 Cb -0.11 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1xqq s THR 12 CO 0.01 -0.31 0.82 -0.63 -0.69 0.00 0.00 174.62 173.81 1xqq s ILE 13 N 3.16 4.74 -0.54 1.82 1.01 0.57 -4.93 121.20 127.03 1xqq s ILE 13 Ca 0.37 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 1xqq s ILE 13 Cb -0.14 -4.19 0.14 0.00 0.01 0.00 0.00 42.46 38.28 1xqq s ILE 13 CO 0.13 -0.33 0.43 -0.89 0.00 0.00 0.00 174.94 174.27 1xqq s THR 14 N 3.08 4.40 -0.31 2.92 2.01 -1.26 -0.81 115.64 125.66 1xqq s THR 14 Ca 0.33 -2.02 -0.10 0.00 0.31 0.00 0.00 61.69 60.21 1xqq s THR 14 Cb -0.14 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1xqq s THR 14 CO 0.14 -0.83 0.16 -0.76 -0.69 0.00 0.00 174.62 172.65 1xqq s LEU 15 N 1.03 4.14 -0.14 4.42 1.43 -0.66 -4.95 118.68 123.94 1xqq s LEU 15 Ca 0.09 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1xqq s LEU 15 Cb -0.24 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1xqq s LEU 15 CO -0.02 -0.18 1.43 -0.70 0.23 0.00 0.00 176.35 177.11 1xqq s GLU 16 N 1.64 4.15 0.35 1.70 2.56 -1.26 -1.28 118.70 126.55 1xqq s GLU 16 Ca 0.05 1.81 0.05 0.00 0.00 0.00 0.00 54.97 56.88 1xqq s GLU 16 Cb -0.17 -3.87 -0.03 0.00 2.00 0.00 0.00 34.13 32.06 1xqq s GLU 16 CO 0.07 -0.84 0.20 0.14 -0.56 0.00 0.00 175.26 174.27 1xqq s VAL 17 N 3.91 0.26 0.34 3.70 -7.23 0.49 -4.95 120.40 116.93 1xqq s VAL 17 Ca 0.63 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.87 1xqq s VAL 17 Cb -0.26 -2.45 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1xqq s VAL 17 CO 0.22 0.00 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.37 1xqq s GLU 18 N -3.64 1.76 0.45 4.82 2.02 -1.26 -0.42 118.70 122.43 1xqq s GLU 18 Ca 0.34 -1.95 0.27 0.00 0.02 0.00 0.00 54.97 53.65 1xqq s GLU 18 Cb 0.03 -1.40 0.72 0.00 0.10 0.00 0.00 34.13 33.58 1xqq s GLU 18 CO 0.21 -0.00 1.74 -1.00 0.02 0.00 0.00 175.26 176.23 1xqq h PRO 19 N 2.03 0.00 0.00 0.39 0.13 -1.95 -3.06 132.00 129.54 1xqq h PRO 19 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xqq h PRO 19 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xqq h PRO 19 CO 0.73 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.95 1xqq n SER 20 N -2.99 0.78 -4.77 1.44 2.88 -1.26 -3.04 113.62 106.65 1xqq n SER 20 Ca 0.03 0.57 -0.38 0.00 -1.33 0.00 0.00 58.87 57.77 1xqq n SER 20 Cb 0.44 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 63.09 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 -4.46 6.63 0.51 -3.46 1.01 -1.16 -4.82 116.67 110.92 1xqq s ASP 21 Ca 0.11 2.21 -0.12 0.00 0.71 0.00 0.00 52.55 55.46 1xqq s ASP 21 Cb 0.13 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 1xqq s ASP 21 CO 0.59 -0.59 0.91 0.42 0.21 0.00 0.00 175.17 176.71 1xqq s THR 22 N -1.51 4.71 0.03 -1.27 -4.23 -1.26 -3.59 115.64 108.53 1xqq s THR 22 Ca 0.57 0.80 0.28 0.00 -1.18 0.00 0.00 61.69 62.17 1xqq s THR 22 Cb -0.27 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.10 1xqq s THR 22 CO 0.34 -0.82 1.86 0.40 -0.54 0.00 0.00 174.62 175.86 1xqq h ILE 23 N 0.47 0.22 0.29 2.99 2.04 -0.87 -0.93 117.51 121.73 1xqq h ILE 23 Ca -0.46 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1xqq h ILE 23 Cb 1.19 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1xqq h ILE 23 CO 0.62 0.09 -0.20 -0.08 0.00 0.00 0.00 178.15 178.59 1xqq h GLU 24 N 0.00 -0.46 -0.95 2.37 4.81 -1.66 -2.37 114.58 116.31 1xqq h GLU 24 Ca -0.00 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.51 1xqq h GLU 24 Cb 0.69 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1xqq h GLU 24 CO 0.01 -0.31 0.65 -0.97 -0.73 0.00 0.00 179.01 177.66 1xqq h ASN 25 N -0.48 0.22 0.26 1.04 -0.73 -1.47 0.14 115.58 114.56 1xqq h ASN 25 Ca -0.02 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1xqq h ASN 25 Cb 0.41 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1xqq h ASN 25 CO 0.01 0.07 -0.13 0.58 -0.37 0.00 0.00 177.43 177.60 1xqq h VAL 26 N 0.21 0.79 -0.37 2.57 2.07 -1.47 0.05 116.25 120.09 1xqq h VAL 26 Ca 0.48 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1xqq h VAL 26 Cb 1.54 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1xqq h VAL 26 CO -0.12 0.10 -0.06 0.11 0.02 0.00 0.00 177.57 177.62 1xqq h LYS 27 N -0.61 0.62 -0.50 1.57 1.57 -0.79 -1.18 116.57 117.25 1xqq h LYS 27 Ca -0.04 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1xqq h LYS 27 Cb 0.44 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xqq h LYS 27 CO 0.06 0.68 0.06 0.00 -0.57 0.00 0.00 179.45 179.69 1xqq h ALA 28 N 1.36 0.66 -0.79 3.86 0.00 -0.73 -2.53 119.26 121.09 1xqq h ALA 28 Ca 0.11 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xqq h ALA 28 Cb 0.46 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 1xqq h ALA 28 CO 0.02 0.41 0.39 -0.22 0.00 0.00 0.00 179.25 179.85 1xqq h LYS 29 N 0.71 0.58 0.00 0.00 3.64 -0.20 -0.55 116.57 120.75 1xqq h LYS 29 Ca 0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1xqq h LYS 29 Cb 0.42 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1xqq h LYS 29 CO 0.01 0.38 -0.23 0.82 -2.27 0.00 0.00 179.45 178.16 1xqq h ILE 30 N 0.59 1.12 -0.08 2.00 2.04 -1.09 0.23 117.51 122.32 1xqq h ILE 30 Ca 0.41 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1xqq h ILE 30 Cb 0.54 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1xqq h ILE 30 CO -0.33 0.23 -0.31 -0.61 0.00 0.00 0.00 178.15 177.13 1xqq h GLN 31 N 0.00 0.35 -0.72 2.37 4.15 -0.93 0.22 115.11 120.55 1xqq h GLN 31 Ca -0.00 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.16 1xqq h GLN 31 Cb 0.42 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1xqq h GLN 31 CO 0.03 0.90 0.48 0.22 -1.93 0.00 0.00 178.83 178.52 1xqq h ASP 32 N -0.13 0.81 0.00 -0.69 3.58 -0.56 0.08 116.42 119.51 1xqq h ASP 32 Ca -0.02 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 1xqq h ASP 32 Cb 0.94 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1xqq h ASP 32 CO 0.06 0.58 -0.68 0.50 -2.88 0.00 0.00 179.24 176.83 1xqq h LYS 33 N 0.96 0.00 -0.00 0.28 1.63 -0.59 -3.44 116.57 115.41 1xqq h LYS 33 Ca 0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1xqq h LYS 33 Cb -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1xqq h LYS 33 CO -0.06 0.89 -0.70 0.39 -3.45 0.00 0.00 179.45 176.52 1xqq n GLU 34 N -4.53 1.17 -3.31 1.90 -0.58 0.75 -5.03 120.64 111.02 1xqq n GLU 34 Ca -0.21 -0.32 -0.16 0.00 -0.42 0.00 0.00 57.16 56.06 1xqq n GLU 34 Cb 0.55 -1.36 0.08 0.00 -0.57 0.00 0.00 31.44 30.14 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 1.38 -0.41 3.21 0.62 0.00 0.01 -4.96 105.19 105.04 1xqq n GLY 35 Ca 0.05 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.34 3.57 0.67 -0.61 1.01 -1.25 -4.96 121.20 116.30 1xqq s ILE 36 Ca 0.06 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 1xqq s ILE 36 Cb -0.01 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1xqq s ILE 36 CO 0.68 -0.37 1.08 -2.84 0.00 0.00 0.00 174.94 173.49 1xqq s PRO 37 N 1.31 2.87 0.32 2.79 0.02 -1.26 -3.71 135.00 137.33 1xqq s PRO 37 Ca 0.01 1.16 0.26 0.00 0.02 0.00 0.00 61.00 62.45 1xqq s PRO 37 Cb -0.21 -1.97 1.01 0.00 0.02 0.00 0.00 34.50 33.35 1xqq s PRO 37 CO -0.00 -1.16 1.77 -1.35 -0.33 0.00 0.00 177.00 175.93 1xqq h PRO 38 N -0.32 0.00 0.00 5.54 0.11 -1.96 -1.43 132.00 133.94 1xqq h PRO 38 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 38 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xqq h PRO 38 CO 0.55 0.00 -0.11 0.22 -0.21 0.00 0.00 178.00 178.46 1xqq h ASP 39 N 0.00 0.00 0.67 -2.05 3.58 -1.98 -3.17 116.42 113.46 1xqq h ASP 39 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1xqq h ASP 39 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1xqq h ASP 39 CO 0.00 0.11 -0.54 1.56 -2.88 0.00 0.00 179.24 177.49 1xqq h GLN 40 N 0.00 0.00 -6.13 0.28 4.20 -1.61 -3.46 115.11 108.39 1xqq h GLN 40 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1xqq h GLN 40 Cb 0.32 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1xqq h GLN 40 CO 0.01 0.54 0.07 -0.65 -0.67 0.00 0.00 178.83 178.14 1xqq s GLN 41 N -3.64 4.41 -0.25 1.46 -0.21 -1.20 -0.74 119.66 119.50 1xqq s GLN 41 Ca -0.01 0.88 0.01 0.00 0.02 0.00 0.00 55.36 56.26 1xqq s GLN 41 Cb 0.12 -3.38 0.07 0.00 1.00 0.00 0.00 33.01 30.82 1xqq s GLN 41 CO 0.74 0.25 -0.03 0.50 -2.12 0.00 0.00 175.29 174.63 1xqq s ARG 42 N 0.16 1.51 -0.37 2.91 3.52 0.13 -4.88 118.95 121.92 1xqq s ARG 42 Ca 0.35 -1.06 -0.23 0.00 -0.13 0.00 0.00 55.73 54.66 1xqq s ARG 42 Cb -0.19 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.63 1xqq s ARG 42 CO 0.19 -0.66 0.79 -0.51 -0.81 0.00 0.00 175.30 174.30 1xqq s LEU 43 N 1.38 4.14 -0.08 -0.88 1.43 -1.26 -1.20 118.68 122.21 1xqq s LEU 43 Ca -0.03 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1xqq s LEU 43 Cb -0.19 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1xqq s LEU 43 CO -0.08 -0.76 -0.19 -0.63 0.23 0.00 0.00 176.35 174.93 1xqq s ILE 44 N 3.14 2.59 -0.08 -0.59 1.01 -0.15 -4.71 121.20 122.41 1xqq s ILE 44 Ca 0.31 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1xqq s ILE 44 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1xqq s ILE 44 CO 0.18 0.56 -0.18 0.33 0.00 0.00 0.00 174.94 175.83 1xqq n PHE 45 N 2.97 0.00 0.03 3.97 7.35 -1.26 -0.17 117.46 130.34 1xqq n PHE 45 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1xqq n PHE 45 Cb 0.52 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -3.64 3.00 0.08 3.13 0.00 -1.26 -4.87 120.51 116.95 1xqq n ALA 46 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.27 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 2.90 -0.70 3.72 0.00 0.00 -1.26 -5.15 105.19 104.71 1xqq n GLY 47 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.80 -0.10 1.61 -0.14 -1.26 -4.96 119.74 113.69 1xqq s LYS 48 Ca 0.00 0.46 -0.22 0.00 -1.36 0.00 0.00 55.97 54.85 1xqq s LYS 48 Cb 0.00 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.33 1xqq s LYS 48 CO 0.00 -2.47 0.62 -0.65 -0.76 0.00 0.00 175.35 172.10 1xqq s GLN 49 N -5.08 4.38 -0.10 1.68 -0.21 -1.26 -4.87 119.66 114.20 1xqq s GLN 49 Ca 0.64 0.72 -0.25 0.00 0.02 0.00 0.00 55.36 56.49 1xqq s GLN 49 Cb -0.17 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 1xqq s GLN 49 CO 0.56 0.06 0.81 -0.51 -2.12 0.00 0.00 175.29 174.09 1xqq s LEU 50 N 0.87 4.26 0.74 2.90 1.43 -1.26 -5.07 118.68 122.55 1xqq s LEU 50 Ca 0.33 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1xqq s LEU 50 Cb -0.17 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1xqq s LEU 50 CO 0.15 -0.27 1.09 -0.70 0.23 0.00 0.00 176.35 176.85 1xqq s GLU 51 N 1.43 2.57 -0.10 1.70 2.56 -1.26 -5.04 118.70 120.56 1xqq s GLU 51 Ca 0.40 0.61 -0.07 0.00 0.00 0.00 0.00 54.97 55.92 1xqq s GLU 51 Cb -0.18 -1.98 -0.02 0.00 2.00 0.00 0.00 34.13 33.95 1xqq s GLU 51 CO 0.17 -1.27 -0.13 -0.25 -0.56 0.00 0.00 175.26 173.22 1xqq n ASP 52 N -3.19 1.20 0.00 -1.70 8.00 -1.26 -4.37 116.55 115.23 1xqq n ASP 52 Ca 0.07 0.48 0.02 0.00 0.71 0.00 0.00 54.79 56.07 1xqq n ASP 52 Cb 0.56 -0.74 0.08 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.64 -0.41 3.96 0.44 0.00 -1.26 -2.03 105.19 107.54 1xqq n GLY 53 Ca -0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.59 2.62 0.52 1.61 0.52 -1.26 -4.86 118.95 115.52 1xqq s ARG 54 Ca 0.03 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1xqq s ARG 54 Cb 0.02 -2.43 0.03 0.00 0.52 0.00 0.00 34.95 33.09 1xqq s ARG 54 CO 0.05 -0.71 0.73 0.95 0.02 0.00 0.00 175.30 176.34 1xqq s THR 55 N -2.82 2.73 0.18 0.02 -4.23 -1.26 -1.28 115.64 108.99 1xqq s THR 55 Ca 0.56 -0.74 0.19 0.00 -1.18 0.00 0.00 61.69 60.52 1xqq s THR 55 Cb -0.10 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.89 1xqq s THR 55 CO 0.40 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.17 1xqq h LEU 56 N 0.19 0.00 -0.02 4.79 3.38 -1.65 -3.11 115.31 118.90 1xqq h LEU 56 Ca -0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xqq h LEU 56 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 56 CO 0.51 0.35 0.01 0.28 0.09 0.00 0.00 178.44 179.67 1xqq h SER 57 N 0.00 0.03 -0.89 -0.43 0.02 -1.77 0.19 113.55 110.70 1xqq h SER 57 Ca -0.00 -0.20 0.24 0.00 -0.84 0.00 0.00 61.79 60.99 1xqq h SER 57 Cb 0.85 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.24 1xqq h SER 57 CO 0.05 0.22 0.23 0.44 -1.14 0.00 0.00 176.83 176.63 1xqq h ASP 58 N -0.17 -0.01 -0.13 3.07 3.32 -1.86 -0.29 116.42 120.36 1xqq h ASP 58 Ca 0.01 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1xqq h ASP 58 Cb 0.20 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xqq h ASP 58 CO -0.00 -0.17 0.00 -1.22 -1.72 0.00 0.00 179.24 176.13 1xqq n TYR 59 N -5.24 0.16 -3.51 4.55 4.01 -1.07 -4.97 117.16 111.09 1xqq n TYR 59 Ca 0.22 -0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.69 1xqq n TYR 59 Cb 0.70 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.79 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 0.16 -2.96 -4.26 7.72 3.02 -0.12 -5.03 115.26 113.79 1xqq n ASN 60 Ca 0.16 -0.74 -0.34 0.00 -0.03 0.00 0.00 54.58 53.63 1xqq n ASN 60 Cb 0.30 -4.62 -0.15 0.00 -0.61 0.00 0.00 39.78 34.70 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 -3.48 2.85 0.00 2.41 1.01 -0.04 -5.03 121.20 118.92 1xqq s ILE 61 Ca 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1xqq s ILE 61 Cb -0.03 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1xqq s ILE 61 CO 0.77 0.49 0.00 0.00 0.00 0.00 0.00 174.94 176.20 1xqq n GLN 62 N 4.39 3.98 -1.66 2.79 6.02 -1.26 -4.50 117.38 127.14 1xqq n GLN 62 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.50 1xqq n GLN 62 Cb 0.51 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.86 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 2.72 2.12 -1.72 -1.09 -2.85 -1.26 -3.93 119.74 113.74 1xqq s LYS 63 Ca 0.00 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 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 0.00 -1.56 0.00 0.39 0.10 0.00 0.00 175.35 174.28 1xqq n GLU 64 N -3.37 -1.65 -2.48 1.78 1.02 0.45 -4.93 120.64 111.46 1xqq n GLU 64 Ca 0.07 0.96 -0.43 0.00 -0.02 0.00 0.00 57.16 57.75 1xqq n GLU 64 Cb 0.57 -5.47 -0.02 0.00 -0.02 0.00 0.00 31.44 26.50 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 -2.27 7.02 -0.32 1.62 0.01 -1.25 -4.74 113.70 113.77 1xqq s SER 65 Ca 0.00 1.67 -0.20 0.00 1.31 0.00 0.00 55.95 58.73 1xqq s SER 65 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1xqq s SER 65 CO 0.00 -0.67 0.62 -0.89 0.41 0.00 0.00 173.24 172.70 1xqq s THR 66 N 2.97 4.94 0.23 1.44 2.01 -1.26 -1.15 115.64 124.82 1xqq s THR 66 Ca 0.53 0.76 0.07 0.00 0.31 0.00 0.00 61.69 63.36 1xqq s THR 66 Cb -0.21 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xqq s THR 66 CO 0.16 -0.17 0.13 -0.76 -0.69 0.00 0.00 174.62 173.29 1xqq s LEU 67 N 2.60 3.67 -0.11 4.42 1.02 -0.47 -4.82 118.68 124.98 1xqq s LEU 67 Ca 0.24 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.11 1xqq s LEU 67 Cb -0.15 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.82 1xqq s LEU 67 CO 0.12 0.00 -0.15 -2.28 0.02 0.00 0.00 176.35 174.07 1xqq s HIS 68 N -2.04 2.76 -0.47 0.29 2.46 0.76 -1.86 115.29 117.20 1xqq s HIS 68 Ca 0.32 -0.60 -0.13 0.00 0.47 0.00 0.00 55.06 55.11 1xqq s HIS 68 Cb -0.08 -1.79 0.09 0.00 -0.13 0.00 0.00 32.58 30.67 1xqq s HIS 68 CO 0.23 -0.17 0.36 -1.17 -2.47 0.00 0.00 174.74 171.53 1xqq s LEU 69 N 0.15 5.57 -0.11 8.88 2.96 0.03 -0.98 118.68 135.19 1xqq s LEU 69 Ca -0.08 -1.50 -0.14 0.00 -0.22 0.00 0.00 54.13 52.19 1xqq s LEU 69 Cb -0.15 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1xqq s LEU 69 CO 0.05 -0.65 0.34 -0.69 -1.32 0.00 0.00 176.35 174.08 1xqq s VAL 70 N 1.54 5.23 -0.37 1.68 1.01 -0.34 -3.16 120.40 126.00 1xqq s VAL 70 Ca 0.04 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 1xqq s VAL 70 Cb -0.25 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1xqq s VAL 70 CO 0.04 0.46 0.34 -0.76 0.00 0.00 0.00 175.10 175.18 1xqq s LEU 71 N -0.09 4.63 0.56 3.92 2.01 -1.26 0.19 118.68 128.65 1xqq s LEU 71 Ca 0.20 -0.45 -0.09 0.00 0.01 0.00 0.00 54.13 53.80 1xqq s LEU 71 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 46.19 43.74 1xqq s LEU 71 CO 0.07 -0.38 0.93 -0.60 1.01 0.00 0.00 176.35 177.38 1xqq s ARG 72 N 1.93 3.58 -0.02 1.70 3.52 0.08 -4.98 118.95 124.76 1xqq s ARG 72 Ca 0.10 0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 55.99 1xqq s ARG 72 Cb -0.17 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1xqq s ARG 72 CO 0.12 -0.42 0.66 -0.51 -0.81 0.00 0.00 175.30 174.34 1xqq s LEU 73 N -5.00 4.38 0.27 -0.88 1.43 -1.26 -4.95 118.68 112.67 1xqq s LEU 73 Ca 0.52 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1xqq s LEU 73 Cb -0.11 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.99 1xqq s LEU 73 CO 0.50 0.01 1.10 -0.13 0.23 0.00 0.00 176.35 178.06 1xqq s ARG 74 N 0.20 4.63 0.00 1.70 1.81 -1.26 -4.78 118.95 121.25 1xqq s ARG 74 Ca 0.34 1.80 0.00 0.00 -1.72 0.00 0.00 55.73 56.15 1xqq s ARG 74 Cb -0.18 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1xqq s ARG 74 CO 0.18 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 1xqq n GLY 75 N 1.32 1.28 0.00 -3.53 0.00 -1.26 -5.26 105.19 97.73 1xqq n GLY 75 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93