#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 3.75 0.18 3.17 -0.21 -1.26 -1.47 119.66 123.82 1xqq s GLN 2 Ca 0.00 0.14 0.09 0.00 0.02 0.00 0.00 55.36 55.61 1xqq s GLN 2 Cb 0.00 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1xqq s GLN 2 CO 0.00 0.67 -0.11 0.96 -2.12 0.00 0.00 175.29 174.69 1xqq s ILE 3 N -0.87 3.09 -0.27 1.08 -4.36 -0.77 -1.78 121.20 117.32 1xqq s ILE 3 Ca 0.19 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1xqq s ILE 3 Cb -0.14 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.07 1xqq s ILE 3 CO 0.08 -0.10 -0.01 -0.36 0.24 0.00 0.00 174.94 174.79 1xqq s PHE 4 N -1.67 3.12 -0.41 1.37 0.08 -0.55 -1.68 117.98 118.24 1xqq s PHE 4 Ca 0.24 -1.44 -0.10 0.00 0.12 0.00 0.00 56.93 55.75 1xqq s PHE 4 Cb -0.09 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.31 1xqq s PHE 4 CO 0.14 -0.70 0.26 0.08 -0.10 0.00 0.00 175.22 174.90 1xqq s VAL 5 N 1.36 4.36 0.11 -0.44 1.01 0.34 -1.08 120.40 126.07 1xqq s VAL 5 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1xqq s VAL 5 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1xqq s VAL 5 CO -0.02 -0.46 0.22 -0.54 0.00 0.00 0.00 175.10 174.30 1xqq s LYS 6 N 1.47 3.34 0.52 2.72 1.02 -0.45 0.37 119.74 128.72 1xqq s LYS 6 Ca 0.03 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.50 1xqq s LYS 6 Cb -0.22 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1xqq s LYS 6 CO 0.03 0.56 0.71 0.95 -0.92 0.00 0.00 175.35 176.68 1xqq s THR 7 N -1.61 2.67 0.16 2.17 -4.23 -0.73 -1.62 115.64 112.44 1xqq s THR 7 Ca 0.34 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.72 1xqq s THR 7 Cb -0.12 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1xqq s THR 7 CO 0.27 0.00 1.57 0.25 -0.54 0.00 0.00 174.62 176.17 1xqq h LEU 8 N 0.27 -1.54 -0.78 4.79 5.85 -1.92 -2.11 115.31 119.88 1xqq h LEU 8 Ca -0.39 0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1xqq h LEU 8 Cb 1.29 0.68 -0.06 0.00 0.37 0.00 0.00 40.66 42.93 1xqq h LEU 8 CO 0.46 -0.35 0.45 0.71 -0.34 0.00 0.00 178.44 179.37 1xqq h THR 9 N -0.28 0.95 0.00 1.05 1.35 -1.95 -3.47 112.91 110.56 1xqq h THR 9 Ca 0.15 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1xqq h THR 9 Cb 0.57 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1xqq h THR 9 CO -0.64 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 175.38 1xqq n GLY 10 N -1.31 0.67 3.40 5.82 0.00 -0.79 -5.13 105.19 107.85 1xqq n GLY 10 Ca 0.12 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.30 2.80 -0.25 1.61 1.02 -1.26 -4.86 119.74 118.50 1xqq s LYS 11 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1xqq s LYS 11 Cb 0.00 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1xqq s LYS 11 CO 0.00 0.44 0.06 0.99 -0.92 0.00 0.00 175.35 175.93 1xqq s THR 12 N -0.27 4.21 -0.47 2.17 2.01 -1.26 -1.78 115.64 120.25 1xqq s THR 12 Ca 0.01 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 1xqq s THR 12 Cb -0.13 -2.98 0.10 0.00 0.01 0.00 0.00 72.50 69.50 1xqq s THR 12 CO 0.03 0.32 0.36 -0.63 -0.69 0.00 0.00 174.62 174.00 1xqq s ILE 13 N 1.59 4.61 -0.28 1.82 1.01 0.16 -4.91 121.20 125.20 1xqq s ILE 13 Ca 0.06 -1.46 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 1xqq s ILE 13 Cb -0.15 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1xqq s ILE 13 CO 0.03 -0.66 0.86 -0.89 0.00 0.00 0.00 174.94 174.27 1xqq s THR 14 N 1.48 4.76 -0.11 2.92 2.01 -1.26 -0.50 115.64 124.95 1xqq s THR 14 Ca 0.04 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.50 1xqq s THR 14 Cb -0.25 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1xqq s THR 14 CO 0.02 -0.21 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.82 1xqq s LEU 15 N 3.02 2.57 -0.80 4.42 1.43 -0.67 -4.96 118.68 123.68 1xqq s LEU 15 Ca 0.36 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 15 Cb -0.14 -1.55 0.21 0.00 0.03 0.00 0.00 46.19 44.73 1xqq s LEU 15 CO 0.11 0.19 0.74 -1.61 0.23 0.00 0.00 176.35 176.00 1xqq s GLU 16 N 0.21 3.54 0.31 1.70 2.02 -1.26 -1.85 118.70 123.37 1xqq s GLU 16 Ca -0.10 -2.39 0.09 0.00 0.02 0.00 0.00 54.97 52.59 1xqq s GLU 16 Cb -0.16 -4.41 -0.06 0.00 0.10 0.00 0.00 34.13 29.60 1xqq s GLU 16 CO 0.06 -1.29 -0.11 0.14 0.02 0.00 0.00 175.26 174.08 1xqq s VAL 17 N 0.30 2.10 0.33 2.63 -7.23 -0.55 -4.80 120.40 113.19 1xqq s VAL 17 Ca 0.16 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1xqq s VAL 17 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1xqq s VAL 17 CO -0.08 -0.28 0.58 -1.61 -0.31 0.00 0.00 175.10 173.40 1xqq s GLU 18 N -3.63 3.57 0.00 4.82 0.41 -1.26 -0.33 118.70 122.28 1xqq s GLU 18 Ca 0.31 -0.09 0.26 0.00 -0.41 0.00 0.00 54.97 55.03 1xqq s GLU 18 Cb 0.01 -2.62 1.38 0.00 -1.78 0.00 0.00 34.13 31.12 1xqq s GLU 18 CO 0.15 0.14 1.87 -2.30 -0.49 0.00 0.00 175.26 174.63 1xqq n PRO 19 N -1.38 0.53 0.00 0.39 -0.02 -1.26 -1.81 135.00 131.44 1xqq n PRO 19 Ca -0.03 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1xqq n PRO 19 Cb 0.55 -1.50 0.41 0.00 -0.02 0.00 0.00 33.50 32.94 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xqq n SER 20 N -1.18 0.57 -4.75 2.55 3.41 -1.26 -1.53 113.62 111.42 1xqq n SER 20 Ca 0.15 -0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 57.96 1xqq n SER 20 Cb 0.16 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.76 6.87 0.60 4.04 1.01 -0.75 -4.76 116.67 120.92 1xqq s ASP 21 Ca 0.19 2.53 -0.07 0.00 0.71 0.00 0.00 52.55 55.91 1xqq s ASP 21 Cb 0.19 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1xqq s ASP 21 CO 0.58 -0.49 0.92 0.42 0.21 0.00 0.00 175.17 176.81 1xqq s THR 22 N -0.60 3.79 0.28 -1.27 -4.23 -1.26 -2.38 115.64 109.97 1xqq s THR 22 Ca 0.52 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1xqq s THR 22 Cb -0.38 -3.51 0.19 0.00 1.34 0.00 0.00 72.50 70.15 1xqq s THR 22 CO 0.45 -0.55 1.87 0.40 -0.54 0.00 0.00 174.62 176.26 1xqq h ILE 23 N -0.21 1.22 -0.11 2.99 1.08 -1.44 -0.99 117.51 120.06 1xqq h ILE 23 Ca -0.45 -0.65 0.05 0.00 -0.39 0.00 0.00 64.86 63.41 1xqq h ILE 23 Cb 1.25 0.38 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 1xqq h ILE 23 CO 0.61 0.27 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.99 1xqq h GLU 24 N 0.96 -0.34 -0.55 2.37 4.81 -1.71 -1.37 114.58 118.76 1xqq h GLU 24 Ca 0.23 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1xqq h GLU 24 Cb 0.13 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1xqq h GLU 24 CO -0.03 -0.22 0.24 -0.97 -0.73 0.00 0.00 179.01 177.30 1xqq h ASN 25 N -0.35 0.30 -0.75 1.04 -0.73 -1.78 -1.78 115.58 111.54 1xqq h ASN 25 Ca 0.09 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.37 1xqq h ASN 25 Cb 0.49 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.03 1xqq h ASN 25 CO -0.31 0.20 0.45 0.58 -0.37 0.00 0.00 177.43 177.98 1xqq h VAL 26 N 0.46 1.03 -0.16 2.57 2.07 -1.04 -1.65 116.25 119.53 1xqq h VAL 26 Ca 0.26 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1xqq h VAL 26 Cb 0.24 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1xqq h VAL 26 CO -0.23 0.15 -0.36 0.11 0.02 0.00 0.00 177.57 177.27 1xqq h LYS 27 N 0.84 0.35 -0.05 1.57 1.57 -0.63 -2.88 116.57 117.34 1xqq h LYS 27 Ca 0.32 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1xqq h LYS 27 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xqq h LYS 27 CO -0.16 0.66 -0.23 0.00 -0.57 0.00 0.00 179.45 179.15 1xqq h ALA 28 N 1.33 1.52 -0.13 3.86 0.00 -0.49 0.07 119.26 125.43 1xqq h ALA 28 Ca 0.03 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1xqq h ALA 28 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xqq h ALA 28 CO 0.06 0.35 -0.49 0.87 0.00 0.00 0.00 179.25 180.04 1xqq h LYS 29 N 0.08 0.33 -0.13 0.00 1.79 -1.15 0.11 116.57 117.60 1xqq h LYS 29 Ca 0.01 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.21 1xqq h LYS 29 Cb 0.46 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1xqq h LYS 29 CO 0.03 0.75 -0.24 0.82 -1.08 0.00 0.00 179.45 179.73 1xqq h ILE 30 N 0.27 1.37 -0.74 1.86 2.04 -1.33 -2.26 117.51 118.72 1xqq h ILE 30 Ca 0.01 -1.50 0.13 0.00 1.00 0.00 0.00 64.86 64.50 1xqq h ILE 30 Cb 0.96 2.03 -0.13 0.00 -0.74 0.00 0.00 36.82 38.93 1xqq h ILE 30 CO 0.08 0.44 -0.31 -0.61 0.00 0.00 0.00 178.15 177.75 1xqq h GLN 31 N -0.02 -0.08 -0.98 2.37 4.15 -0.96 0.13 115.11 119.73 1xqq h GLN 31 Ca 0.01 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.53 1xqq h GLN 31 Cb 0.82 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 1xqq h GLN 31 CO 0.05 -0.05 0.63 0.22 -1.93 0.00 0.00 178.83 177.75 1xqq h ASP 32 N -0.08 0.93 0.00 -0.69 1.82 -0.73 -3.27 116.42 114.41 1xqq h ASP 32 Ca 0.30 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1xqq h ASP 32 Cb 0.57 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1xqq h ASP 32 CO -0.79 0.54 -0.10 0.11 -1.61 0.00 0.00 179.24 177.39 1xqq h LYS 33 N 1.02 0.00 0.10 0.28 1.57 -0.62 -3.44 116.57 115.48 1xqq h LYS 33 Ca 0.46 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.93 1xqq h LYS 33 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1xqq h LYS 33 CO -0.22 0.00 -1.64 0.93 -0.57 0.00 0.00 179.45 177.95 1xqq h GLU 34 N -0.23 0.20 0.00 3.15 4.39 -0.97 -3.49 114.58 117.63 1xqq h GLU 34 Ca 0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1xqq h GLU 34 Cb 0.10 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1xqq h GLU 34 CO 0.00 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.42 1xqq n GLY 35 N 1.78 1.87 3.63 -3.84 0.00 -1.06 -5.04 105.19 102.52 1xqq n GLY 35 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.88 5.01 0.65 -0.61 1.01 -1.26 -4.90 121.20 119.23 1xqq s ILE 36 Ca 0.00 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 1xqq s ILE 36 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1xqq s ILE 36 CO 0.00 0.05 1.03 -2.16 0.00 0.00 0.00 174.94 173.86 1xqq s PRO 37 N 2.42 3.17 0.00 2.79 0.04 -1.26 -3.64 135.00 138.53 1xqq s PRO 37 Ca 0.25 0.49 0.28 0.00 0.04 0.00 0.00 61.00 62.06 1xqq s PRO 37 Cb -0.16 -2.09 1.01 0.00 0.04 0.00 0.00 34.50 33.30 1xqq s PRO 37 CO 0.09 -0.78 1.75 -0.35 0.04 0.00 0.00 177.00 177.74 1xqq n PRO 38 N -2.82 0.22 0.21 0.56 -0.04 -1.26 -2.31 135.00 129.56 1xqq n PRO 38 Ca 0.06 -0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1xqq n PRO 38 Cb 0.56 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.72 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.18 0.00 0.42 3.54 2.03 -1.99 -3.36 116.42 117.24 1xqq h ASP 39 Ca 0.00 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.99 1xqq h ASP 39 Cb 0.45 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.98 1xqq h ASP 39 CO 0.00 0.08 -1.35 -0.61 -1.03 0.00 0.00 179.24 176.34 1xqq h GLN 40 N 0.00 0.43 -5.59 4.15 4.15 -1.77 -3.42 115.11 113.06 1xqq h GLN 40 Ca -0.00 -0.71 -0.65 0.00 0.77 0.00 0.00 58.65 58.06 1xqq h GLN 40 Cb 1.02 0.26 -0.12 0.00 0.21 0.00 0.00 27.48 28.85 1xqq h GLN 40 CO 0.01 1.34 -0.54 1.14 -1.93 0.00 0.00 178.83 178.85 1xqq s GLN 41 N -2.67 3.54 0.09 1.69 -2.07 -1.20 -1.64 119.66 117.40 1xqq s GLN 41 Ca -0.07 -0.26 0.08 0.00 -1.82 0.00 0.00 55.36 53.29 1xqq s GLN 41 Cb 0.06 -3.12 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 1xqq s GLN 41 CO 0.92 0.58 -0.16 0.50 -1.32 0.00 0.00 175.29 175.81 1xqq s ARG 42 N -0.50 1.94 -0.16 9.60 3.52 -0.68 -4.72 118.95 127.95 1xqq s ARG 42 Ca 0.11 -1.09 -0.01 0.00 -0.13 0.00 0.00 55.73 54.61 1xqq s ARG 42 Cb -0.12 -2.18 -0.01 0.00 -1.56 0.00 0.00 34.95 31.09 1xqq s ARG 42 CO 0.02 0.50 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.38 1xqq s LEU 43 N -1.97 2.63 -0.11 -0.88 1.43 -1.26 -1.29 118.68 117.23 1xqq s LEU 43 Ca 0.18 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1xqq s LEU 43 Cb -0.11 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1xqq s LEU 43 CO 0.10 0.08 0.06 -0.63 0.23 0.00 0.00 176.35 176.19 1xqq s ILE 44 N 0.83 4.85 -0.03 -0.59 -1.09 -0.60 -2.48 121.20 122.09 1xqq s ILE 44 Ca -0.04 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 1xqq s ILE 44 Cb -0.15 -3.08 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1xqq s ILE 44 CO 0.00 0.60 -0.23 0.12 -1.23 0.00 0.00 174.94 174.20 1xqq s PHE 45 N -0.84 2.12 0.00 3.97 5.36 -0.03 -0.62 117.98 127.94 1xqq s PHE 45 Ca 0.13 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1xqq s PHE 45 Cb -0.12 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.19 1xqq s PHE 45 CO 0.03 -0.10 0.00 0.00 -1.46 0.00 0.00 175.22 173.69 1xqq n ALA 46 N 2.71 0.00 -2.74 11.12 0.00 -1.26 -1.34 120.51 129.01 1xqq n ALA 46 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1xqq n ALA 46 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 1.66 3.50 0.00 0.00 -1.26 -5.08 105.19 104.01 1xqq n GLY 47 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -2.02 1.35 -0.15 1.61 -2.85 -0.45 -5.18 119.74 112.07 1xqq s LYS 48 Ca 0.27 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 54.10 1xqq s LYS 48 Cb 0.42 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.64 1xqq s LYS 48 CO -0.01 -0.56 0.50 -1.14 0.10 0.00 0.00 175.35 174.23 1xqq s GLN 49 N -3.90 4.29 -0.20 1.78 0.74 -1.26 -0.85 119.66 120.26 1xqq s GLN 49 Ca 0.12 0.44 -0.19 0.00 0.05 0.00 0.00 55.36 55.78 1xqq s GLN 49 Cb -0.00 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 1xqq s GLN 49 CO -0.01 0.05 0.56 -0.51 -0.55 0.00 0.00 175.29 174.82 1xqq s LEU 50 N 0.98 4.15 -0.16 3.68 1.43 -1.04 -4.95 118.68 122.77 1xqq s LEU 50 Ca 0.25 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1xqq s LEU 50 Cb -0.15 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 1xqq s LEU 50 CO 0.10 -0.21 0.22 -0.70 0.23 0.00 0.00 176.35 175.99 1xqq s GLU 51 N 1.74 4.11 0.17 1.70 2.12 -1.26 -4.73 118.70 122.55 1xqq s GLU 51 Ca 0.26 -0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 1xqq s GLU 51 Cb -0.16 -3.38 0.28 0.00 0.26 0.00 0.00 34.13 31.13 1xqq s GLU 51 CO 0.10 0.35 0.96 -0.25 -0.54 0.00 0.00 175.26 175.89 1xqq n ASP 52 N 3.26 -0.22 0.04 -1.70 9.92 -1.26 -1.92 116.55 124.67 1xqq n ASP 52 Ca -0.15 1.06 0.13 0.00 -0.53 0.00 0.00 54.79 55.31 1xqq n ASP 52 Cb 0.52 -0.32 0.38 0.00 -0.64 0.00 0.00 41.12 41.06 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 -1.39 -1.49 3.95 0.44 0.00 -1.26 -2.02 105.19 103.42 1xqq n GLY 53 Ca 0.10 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.07 2.68 0.48 1.61 0.52 -0.81 -4.91 118.95 115.45 1xqq s ARG 54 Ca 0.11 -0.53 -0.04 0.00 -0.52 0.00 0.00 55.73 54.75 1xqq s ARG 54 Cb 0.16 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1xqq s ARG 54 CO 0.63 -0.67 0.77 0.95 0.02 0.00 0.00 175.30 177.00 1xqq s THR 55 N -2.80 4.76 0.35 0.02 -4.23 -1.26 -2.62 115.64 109.85 1xqq s THR 55 Ca 0.55 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 61.25 1xqq s THR 55 Cb -0.10 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 70.00 1xqq s THR 55 CO 0.40 -0.76 1.78 -0.07 -0.54 0.00 0.00 174.62 175.43 1xqq h LEU 56 N 0.24 0.07 -0.87 4.79 3.38 -1.30 -3.06 115.31 118.57 1xqq h LEU 56 Ca -0.47 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.55 1xqq h LEU 56 Cb 1.21 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1xqq h LEU 56 CO 0.61 0.46 0.53 0.28 0.09 0.00 0.00 178.44 180.40 1xqq h SER 57 N 0.06 0.80 0.07 -0.43 0.02 -1.54 -0.66 113.55 111.87 1xqq h SER 57 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1xqq h SER 57 Cb 0.71 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1xqq h SER 57 CO 0.05 0.48 -0.22 -0.78 -1.14 0.00 0.00 176.83 175.23 1xqq h ASP 58 N 0.92 0.27 0.75 3.07 3.58 -1.83 -2.75 116.42 120.42 1xqq h ASP 58 Ca 0.40 -0.07 -0.25 0.00 0.42 0.00 0.00 57.03 57.52 1xqq h ASP 58 Cb 0.27 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1xqq h ASP 58 CO -0.21 0.50 -1.27 1.88 -2.88 0.00 0.00 179.24 177.26 1xqq h TYR 59 N 0.25 0.15 -3.66 0.28 0.05 -1.61 -3.49 116.97 108.94 1xqq h TYR 59 Ca 0.04 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 1xqq h TYR 59 Cb 0.53 -0.01 0.06 0.00 1.01 0.00 0.00 36.73 38.32 1xqq h TYR 59 CO 0.01 1.11 -0.25 0.09 -1.05 0.00 0.00 178.16 178.07 1xqq n ASN 60 N -3.33 -3.25 -4.69 3.88 4.13 -0.73 -5.09 115.26 106.19 1xqq n ASN 60 Ca -0.08 -0.21 -0.35 0.00 1.68 0.00 0.00 54.58 55.63 1xqq n ASN 60 Cb 0.99 -1.90 -0.09 0.00 -1.54 0.00 0.00 39.78 37.24 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 -3.12 4.68 0.00 2.41 1.01 -0.33 -5.02 121.20 120.84 1xqq s ILE 61 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1xqq s ILE 61 Cb -0.02 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1xqq s ILE 61 CO 0.22 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.71 1xqq n GLN 62 N 2.74 2.22 -2.91 2.79 6.02 -1.26 -4.64 117.38 122.33 1xqq n GLN 62 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 1xqq n GLN 62 Cb 0.53 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.74 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 -1.44 4.56 -0.78 -1.09 -2.85 -1.26 -3.90 119.74 112.97 1xqq s LYS 63 Ca 0.00 1.18 -0.04 0.00 -1.00 0.00 0.00 55.97 56.11 1xqq s LYS 63 Cb 0.00 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1xqq s LYS 63 CO 0.00 0.26 0.52 0.39 0.10 0.00 0.00 175.35 176.62 1xqq n GLU 64 N 2.80 -3.67 -3.70 1.78 1.02 -0.74 -5.01 120.64 113.13 1xqq n GLU 64 Ca -0.01 0.47 -0.36 0.00 -0.02 0.00 0.00 57.16 57.23 1xqq n GLU 64 Cb 0.50 -4.40 -0.07 0.00 -0.02 0.00 0.00 31.44 27.45 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 -3.04 6.38 -0.23 1.62 0.01 -1.25 -4.88 113.70 112.30 1xqq s SER 65 Ca 0.26 0.44 -0.15 0.00 1.31 0.00 0.00 55.95 57.81 1xqq s SER 65 Cb -0.11 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1xqq s SER 65 CO 0.32 0.23 0.35 -0.89 0.41 0.00 0.00 173.24 173.66 1xqq s THR 66 N -0.13 5.22 -0.13 1.44 2.01 -1.26 -1.48 115.64 121.31 1xqq s THR 66 Ca 0.14 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.69 1xqq s THR 66 Cb -0.12 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1xqq s THR 66 CO 0.03 0.24 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.38 1xqq s LEU 67 N 1.52 3.22 -0.43 4.42 1.02 -0.24 -4.68 118.68 123.52 1xqq s LEU 67 Ca 0.16 -0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 1xqq s LEU 67 Cb -0.15 -1.75 0.07 0.00 0.02 0.00 0.00 46.19 44.37 1xqq s LEU 67 CO 0.08 0.23 0.29 -1.00 0.02 0.00 0.00 176.35 175.97 1xqq s HIS 68 N 0.00 3.29 -0.20 0.29 3.76 0.21 -1.34 115.29 121.31 1xqq s HIS 68 Ca 0.00 -1.24 -0.29 0.00 -0.15 0.00 0.00 55.06 53.38 1xqq s HIS 68 Cb -0.13 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.63 1xqq s HIS 68 CO 0.03 -0.80 1.06 -1.17 -0.85 0.00 0.00 174.74 173.01 1xqq s LEU 69 N 1.52 4.14 0.39 0.89 0.20 -0.64 -1.55 118.68 123.61 1xqq s LEU 69 Ca 0.03 1.45 0.04 0.00 0.69 0.00 0.00 54.13 56.34 1xqq s LEU 69 Cb -0.23 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.94 1xqq s LEU 69 CO 0.04 -0.64 0.07 0.68 -0.29 0.00 0.00 176.35 176.21 1xqq s VAL 70 N 3.02 1.10 -0.07 1.68 -7.23 -0.41 -3.37 120.40 115.13 1xqq s VAL 70 Ca 0.46 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 1xqq s VAL 70 Cb -0.16 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1xqq s VAL 70 CO 0.09 0.00 0.75 -0.22 -0.31 0.00 0.00 175.10 175.41 1xqq s LEU 71 N -3.61 4.31 -0.07 1.32 2.96 -1.26 -1.68 118.68 120.65 1xqq s LEU 71 Ca 0.28 1.25 -0.24 0.00 -0.22 0.00 0.00 54.13 55.20 1xqq s LEU 71 Cb 0.06 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1xqq s LEU 71 CO 0.14 -0.16 0.71 -0.60 -1.32 0.00 0.00 176.35 175.12 1xqq s ARG 72 N 0.94 4.44 0.53 1.98 3.52 -0.65 -4.72 118.95 124.98 1xqq s ARG 72 Ca 0.40 0.89 0.07 0.00 -0.13 0.00 0.00 55.73 56.96 1xqq s ARG 72 Cb -0.18 -3.45 0.07 0.00 -1.56 0.00 0.00 34.95 29.83 1xqq s ARG 72 CO 0.19 0.05 0.59 1.28 -0.81 0.00 0.00 175.30 176.60 1xqq n LEU 73 N 3.83 0.00 -4.76 -0.88 4.77 -1.26 -4.79 117.00 113.90 1xqq n LEU 73 Ca -0.01 -2.49 -0.39 0.00 -0.03 0.00 0.00 56.01 53.10 1xqq n LEU 73 Cb 0.51 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1xqq n LEU 73 CO 0.47 -0.64 0.69 -0.60 -1.33 0.00 0.00 177.39 175.98 1xqq s ARG 74 N -4.30 4.66 0.00 3.23 6.06 -1.26 -4.69 118.95 122.65 1xqq s ARG 74 Ca 0.44 1.51 0.00 0.00 -2.50 0.00 0.00 55.73 55.18 1xqq s ARG 74 Cb -0.04 -3.04 0.00 0.00 0.06 0.00 0.00 34.95 31.94 1xqq s ARG 74 CO 0.28 0.31 0.00 0.41 -2.50 0.00 0.00 175.30 173.81 1xqq n GLY 75 N 1.03 0.26 0.00 8.12 0.00 -1.26 -5.32 105.19 108.01 1xqq n GLY 75 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93