#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 2.91 0.11 3.17 -0.21 -1.26 -1.20 119.66 123.18 1xqq s GLN 2 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 54.80 1xqq s GLN 2 Cb 0.00 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1xqq s GLN 2 CO 0.00 0.59 -0.13 0.96 -2.12 0.00 0.00 175.29 174.59 1xqq s ILE 3 N -1.31 1.22 -0.30 1.08 -4.36 -0.59 -0.04 121.20 116.89 1xqq s ILE 3 Ca 0.27 -1.62 -0.06 0.00 -0.26 0.00 0.00 60.65 58.97 1xqq s ILE 3 Cb -0.12 -1.41 0.02 0.00 1.25 0.00 0.00 42.46 42.20 1xqq s ILE 3 CO 0.19 -0.40 0.07 -0.36 0.24 0.00 0.00 174.94 174.68 1xqq s PHE 4 N -2.02 3.16 -0.41 1.37 0.08 -0.20 -2.13 117.98 117.82 1xqq s PHE 4 Ca 0.06 -1.13 -0.18 0.00 0.12 0.00 0.00 56.93 55.80 1xqq s PHE 4 Cb -0.06 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1xqq s PHE 4 CO 0.02 -0.62 0.48 0.08 -0.10 0.00 0.00 175.22 175.08 1xqq s VAL 5 N 1.46 5.03 -0.06 -0.44 1.01 0.70 0.01 120.40 128.11 1xqq s VAL 5 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1xqq s VAL 5 Cb -0.18 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1xqq s VAL 5 CO 0.02 -0.42 0.10 -0.54 0.00 0.00 0.00 175.10 174.27 1xqq s LYS 6 N 2.29 3.24 0.75 2.72 1.02 0.53 -0.46 119.74 129.83 1xqq s LYS 6 Ca 0.15 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.76 1xqq s LYS 6 Cb -0.16 -3.00 0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1xqq s LYS 6 CO 0.15 0.71 1.05 0.95 -0.92 0.00 0.00 175.35 177.28 1xqq s THR 7 N -1.10 2.20 0.01 2.17 -4.23 -1.12 -0.16 115.64 113.40 1xqq s THR 7 Ca 0.19 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 60.08 1xqq s THR 7 Cb -0.12 -2.83 -0.18 0.00 1.34 0.00 0.00 72.50 70.71 1xqq s THR 7 CO 0.09 0.00 1.39 0.25 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 8 N -0.73 0.03 -0.15 4.79 5.85 -1.92 -3.38 115.31 119.79 1xqq h LEU 8 Ca -0.41 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 57.88 1xqq h LEU 8 Cb 1.28 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1xqq h LEU 8 CO 0.47 0.39 -0.16 0.71 -0.34 0.00 0.00 178.44 179.51 1xqq h THR 9 N -0.33 1.35 0.00 1.05 1.35 -1.96 -3.48 112.91 110.88 1xqq h THR 9 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1xqq h THR 9 Cb 0.37 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1xqq h THR 9 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1xqq n GLY 10 N 0.21 0.41 3.52 5.82 0.00 -1.26 -5.13 105.19 108.76 1xqq n GLY 10 Ca -0.06 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 3.46 -0.38 1.61 2.20 -1.26 -4.99 119.74 120.38 1xqq s LYS 11 Ca 0.00 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 54.95 1xqq s LYS 11 Cb 0.00 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1xqq s LYS 11 CO 0.00 0.35 0.30 0.99 -0.36 0.00 0.00 175.35 176.63 1xqq s THR 12 N 0.06 5.24 -0.48 3.43 2.01 -1.26 -2.80 115.64 121.85 1xqq s THR 12 Ca -0.00 -0.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 1xqq s THR 12 Cb -0.13 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.56 1xqq s THR 12 CO 0.03 -0.18 0.90 -0.63 -0.69 0.00 0.00 174.62 174.05 1xqq s ILE 13 N 1.79 4.49 -0.49 1.82 1.01 0.39 -4.93 121.20 125.28 1xqq s ILE 13 Ca 0.07 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 1xqq s ILE 13 Cb -0.18 -4.43 0.11 0.00 0.01 0.00 0.00 42.46 37.97 1xqq s ILE 13 CO 0.11 -0.87 0.39 -0.89 0.00 0.00 0.00 174.94 173.68 1xqq s THR 14 N 3.70 4.61 -0.16 2.92 2.01 -1.26 -0.22 115.64 127.25 1xqq s THR 14 Ca 0.34 -1.59 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 1xqq s THR 14 Cb -0.11 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1xqq s THR 14 CO 0.24 -0.76 0.22 -0.76 -0.69 0.00 0.00 174.62 172.87 1xqq s LEU 15 N 1.47 4.26 -0.08 4.42 1.43 -0.91 -4.94 118.68 124.33 1xqq s LEU 15 Ca 0.04 0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 1xqq s LEU 15 Cb -0.27 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1xqq s LEU 15 CO 0.01 0.17 1.20 -1.61 0.23 0.00 0.00 176.35 176.35 1xqq s GLU 16 N 0.19 4.34 0.20 1.70 2.02 -1.26 -1.55 118.70 124.34 1xqq s GLU 16 Ca 0.13 1.65 -0.04 0.00 0.02 0.00 0.00 54.97 56.73 1xqq s GLU 16 Cb -0.12 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1xqq s GLU 16 CO 0.02 -0.48 0.21 0.14 0.02 0.00 0.00 175.26 175.17 1xqq s VAL 17 N 2.42 0.01 0.12 2.63 -7.23 -0.34 -5.01 120.40 113.00 1xqq s VAL 17 Ca 0.55 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 1xqq s VAL 17 Cb -0.24 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1xqq s VAL 17 CO 0.20 -0.06 0.13 -1.61 -0.31 0.00 0.00 175.10 173.46 1xqq s GLU 18 N -4.11 3.00 0.00 4.82 0.41 -1.26 0.26 118.70 121.82 1xqq s GLU 18 Ca 0.33 -0.72 0.05 0.00 -0.41 0.00 0.00 54.97 54.22 1xqq s GLU 18 Cb 0.05 -2.75 0.23 0.00 -1.78 0.00 0.00 34.13 29.88 1xqq s GLU 18 CO 0.10 0.54 1.17 -0.35 -0.49 0.00 0.00 175.26 176.23 1xqq n PRO 19 N 0.05 0.00 0.00 0.39 -0.04 -1.26 -0.36 135.00 133.78 1xqq n PRO 19 Ca -0.08 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1xqq n PRO 19 Cb 0.53 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.50 0.79 -4.74 3.54 7.64 -1.26 -1.85 113.62 116.24 1xqq n SER 20 Ca 0.01 -0.59 -0.31 0.00 1.01 0.00 0.00 58.87 58.99 1xqq n SER 20 Cb 0.06 0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -2.78 4.11 0.66 6.43 1.01 0.52 -4.67 116.67 121.94 1xqq s ASP 21 Ca 0.17 1.93 -0.05 0.00 0.71 0.00 0.00 52.55 55.30 1xqq s ASP 21 Cb 0.18 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.62 1xqq s ASP 21 CO 0.63 -2.30 0.95 0.42 0.21 0.00 0.00 175.17 175.08 1xqq s THR 22 N -2.81 2.62 0.34 -1.27 -4.23 -1.26 -1.35 115.64 107.68 1xqq s THR 22 Ca 0.63 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1xqq s THR 22 Cb -0.19 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.80 1xqq s THR 22 CO 0.56 -0.10 1.98 0.40 -0.54 0.00 0.00 174.62 176.93 1xqq h ILE 23 N -0.41 1.17 -0.54 2.99 1.08 -1.65 -2.85 117.51 117.31 1xqq h ILE 23 Ca -0.44 -0.38 0.07 0.00 -0.39 0.00 0.00 64.86 63.72 1xqq h ILE 23 Cb 1.30 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1xqq h ILE 23 CO 0.59 0.18 0.36 -0.08 -0.69 0.00 0.00 178.15 178.51 1xqq h GLU 24 N 0.84 0.44 0.00 2.37 4.81 -1.78 -0.09 114.58 121.16 1xqq h GLU 24 Ca 0.22 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1xqq h GLU 24 Cb -0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1xqq h GLU 24 CO -0.04 0.29 -0.39 -0.97 -0.73 0.00 0.00 179.01 177.16 1xqq h ASN 25 N 0.45 0.00 0.08 1.04 -0.73 -1.83 -2.34 115.58 112.25 1xqq h ASN 25 Ca 0.24 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.40 1xqq h ASN 25 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1xqq h ASN 25 CO -0.06 0.39 -0.04 0.58 -0.37 0.00 0.00 177.43 177.93 1xqq h VAL 26 N 0.00 1.16 -0.46 2.57 2.07 -1.13 -3.16 116.25 117.31 1xqq h VAL 26 Ca -0.00 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.63 1xqq h VAL 26 Cb 1.29 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1xqq h VAL 26 CO 0.05 0.24 0.31 0.11 0.02 0.00 0.00 177.57 178.30 1xqq h LYS 27 N -0.56 0.19 -0.19 1.57 1.57 -1.02 -1.64 116.57 116.49 1xqq h LYS 27 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1xqq h LYS 27 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xqq h LYS 27 CO 0.02 0.13 -0.28 0.00 -0.57 0.00 0.00 179.45 178.75 1xqq h ALA 28 N 1.77 1.17 0.03 3.86 0.00 -1.39 -1.06 119.26 123.64 1xqq h ALA 28 Ca 0.21 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1xqq h ALA 28 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1xqq h ALA 28 CO -0.04 0.53 -1.06 0.87 0.00 0.00 0.00 179.25 179.56 1xqq h LYS 29 N 0.32 0.06 -0.50 0.00 1.79 -1.31 -0.84 116.57 116.09 1xqq h LYS 29 Ca 0.05 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 1xqq h LYS 29 Cb 0.67 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1xqq h LYS 29 CO 0.05 1.05 -0.07 0.82 -1.08 0.00 0.00 179.45 180.22 1xqq h ILE 30 N 0.02 1.26 0.00 1.86 2.04 -1.41 0.11 117.51 121.39 1xqq h ILE 30 Ca -0.04 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.57 1xqq h ILE 30 Cb 1.82 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1xqq h ILE 30 CO 0.15 0.40 -0.48 -0.61 0.00 0.00 0.00 178.15 177.61 1xqq h GLN 31 N 0.80 0.00 0.15 2.37 4.15 -1.19 -2.45 115.11 118.94 1xqq h GLN 31 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1xqq h GLN 31 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1xqq h GLN 31 CO 0.03 0.48 -0.07 0.22 -1.93 0.00 0.00 178.83 177.57 1xqq h ASP 32 N 0.00 -0.17 0.03 -0.69 3.58 -0.98 -3.33 116.42 114.86 1xqq h ASP 32 Ca -0.00 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1xqq h ASP 32 Cb 0.86 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1xqq h ASP 32 CO 0.06 0.39 -0.01 0.11 -2.88 0.00 0.00 179.24 176.90 1xqq h LYS 33 N -1.01 -0.04 -0.21 0.28 1.57 -0.86 -3.38 116.57 112.92 1xqq h LYS 33 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1xqq h LYS 33 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1xqq h LYS 33 CO 0.03 -0.03 -0.63 0.93 -0.57 0.00 0.00 179.45 179.19 1xqq h GLU 34 N -0.31 0.75 0.00 3.15 4.39 -1.70 -3.48 114.58 117.37 1xqq h GLU 34 Ca -0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1xqq h GLU 34 Cb 0.03 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1xqq h GLU 34 CO 0.01 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 179.41 1xqq n GLY 35 N 0.45 0.85 3.56 -3.84 0.00 -0.93 -5.06 105.19 100.21 1xqq n GLY 35 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.67 5.25 0.92 -0.61 -1.09 -1.16 -4.99 121.20 117.85 1xqq s ILE 36 Ca 0.00 0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 1xqq s ILE 36 Cb 0.00 -3.69 0.14 0.00 -1.58 0.00 0.00 42.46 37.33 1xqq s ILE 36 CO 0.00 0.06 1.09 -2.84 -1.23 0.00 0.00 174.94 172.02 1xqq s PRO 37 N 1.86 1.03 0.19 2.79 0.02 -1.26 -3.84 135.00 135.79 1xqq s PRO 37 Ca 0.09 0.87 0.10 0.00 0.02 0.00 0.00 61.00 62.09 1xqq s PRO 37 Cb -0.17 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 1xqq s PRO 37 CO 0.11 -2.41 1.37 -1.00 -0.33 0.00 0.00 177.00 174.74 1xqq h PRO 38 N -1.68 0.00 0.02 5.54 0.13 -1.94 -1.95 132.00 132.11 1xqq h PRO 38 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 1xqq h PRO 38 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1xqq h PRO 38 CO 0.53 0.79 -1.01 0.38 -0.23 0.00 0.00 178.00 178.47 1xqq h ASP 39 N 0.00 0.06 1.17 1.44 2.03 -1.99 -3.26 116.42 115.85 1xqq h ASP 39 Ca -0.01 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1xqq h ASP 39 Cb 1.58 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 1xqq h ASP 39 CO 0.10 1.02 0.00 1.56 -1.03 0.00 0.00 179.24 180.90 1xqq h GLN 40 N 0.01 0.00 -5.73 4.15 4.20 -1.63 -3.42 115.11 112.70 1xqq h GLN 40 Ca -0.03 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.08 1xqq h GLN 40 Cb 1.76 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.44 1xqq h GLN 40 CO 0.14 0.00 0.38 -0.65 -0.67 0.00 0.00 178.83 178.02 1xqq s GLN 41 N -3.33 4.06 -0.19 1.46 -0.21 -1.04 -1.16 119.66 119.25 1xqq s GLN 41 Ca 0.06 0.69 -0.05 0.00 0.02 0.00 0.00 55.36 56.08 1xqq s GLN 41 Cb 0.09 -3.69 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 1xqq s GLN 41 CO 0.52 -0.58 -0.00 0.50 -2.12 0.00 0.00 175.29 173.61 1xqq s ARG 42 N 2.83 3.65 -0.24 2.91 3.52 -0.41 -4.91 118.95 126.31 1xqq s ARG 42 Ca 0.32 -0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.32 1xqq s ARG 42 Cb -0.15 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1xqq s ARG 42 CO 0.10 0.07 0.13 -0.51 -0.81 0.00 0.00 175.30 174.27 1xqq s LEU 43 N 0.86 3.89 -0.01 -0.88 1.43 -1.26 0.12 118.68 122.84 1xqq s LEU 43 Ca 0.01 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1xqq s LEU 43 Cb -0.14 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1xqq s LEU 43 CO 0.02 0.04 -0.24 -0.63 0.23 0.00 0.00 176.35 175.77 1xqq s ILE 44 N 1.20 1.90 -0.12 -0.59 -1.09 -0.46 -1.38 121.20 120.66 1xqq s ILE 44 Ca 0.06 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1xqq s ILE 44 Cb -0.14 -1.59 0.02 0.00 -1.58 0.00 0.00 42.46 39.17 1xqq s ILE 44 CO 0.05 0.49 -0.12 0.12 -1.23 0.00 0.00 174.94 174.25 1xqq s PHE 45 N -0.60 1.82 0.00 3.97 5.36 0.63 -0.43 117.98 128.73 1xqq s PHE 45 Ca 0.09 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 1xqq s PHE 45 Cb -0.09 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 1xqq s PHE 45 CO -0.00 -0.52 0.00 0.00 -1.46 0.00 0.00 175.22 173.24 1xqq n ALA 46 N 4.54 0.00 -0.08 11.12 0.00 -1.26 -0.41 120.51 134.42 1xqq n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xqq n ALA 46 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.51 3.50 0.00 0.00 -1.26 -5.05 105.19 102.90 1xqq n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.52 3.76 -0.29 1.61 1.02 0.45 -5.06 119.74 120.71 1xqq s LYS 48 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1xqq s LYS 48 Cb 0.00 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1xqq s LYS 48 CO 0.00 -0.20 1.68 -1.14 -0.92 0.00 0.00 175.35 174.77 1xqq s GLN 49 N 1.68 3.57 -0.43 1.68 0.74 -1.26 -0.27 119.66 125.37 1xqq s GLN 49 Ca 0.07 1.49 -0.29 0.00 0.05 0.00 0.00 55.36 56.68 1xqq s GLN 49 Cb -0.16 -4.11 0.03 0.00 1.10 0.00 0.00 33.01 29.87 1xqq s GLN 49 CO 0.07 -1.57 1.10 -0.51 -0.55 0.00 0.00 175.29 173.83 1xqq s LEU 50 N 5.96 3.76 0.67 3.68 1.43 -0.48 -4.98 118.68 128.72 1xqq s LEU 50 Ca 0.74 0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 54.41 1xqq s LEU 50 Cb -0.23 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.52 1xqq s LEU 50 CO 0.32 -1.12 0.97 -1.61 0.23 0.00 0.00 176.35 175.14 1xqq s GLU 51 N 4.14 2.42 0.02 1.70 2.02 -1.26 -4.66 118.70 123.08 1xqq s GLU 51 Ca 0.46 -0.20 -0.22 0.00 0.02 0.00 0.00 54.97 55.04 1xqq s GLU 51 Cb -0.09 -2.21 -0.16 0.00 0.10 0.00 0.00 34.13 31.77 1xqq s GLU 51 CO 0.26 -1.06 1.29 -0.44 0.02 0.00 0.00 175.26 175.33 1xqq h ASP 52 N -0.45 0.31 -0.78 -0.19 3.32 -1.95 -3.37 116.42 113.31 1xqq h ASP 52 Ca -0.45 -0.52 -0.43 0.00 0.02 0.00 0.00 57.03 55.65 1xqq h ASP 52 Cb 1.30 -0.09 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 1xqq h ASP 52 CO 0.60 0.77 0.55 0.61 -1.72 0.00 0.00 179.24 180.06 1xqq n GLY 53 N 0.32 4.19 3.26 2.75 0.00 -1.26 -2.95 105.19 111.50 1xqq n GLY 53 Ca -0.07 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.66 1.08 0.41 1.61 0.52 -1.26 -5.06 118.95 113.59 1xqq s ARG 54 Ca 0.46 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 54.17 1xqq s ARG 54 Cb 0.38 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 1xqq s ARG 54 CO 0.07 0.10 0.73 0.95 0.02 0.00 0.00 175.30 177.17 1xqq s THR 55 N -3.08 4.88 0.37 0.02 -4.23 -1.26 -2.38 115.64 109.96 1xqq s THR 55 Ca 0.16 0.35 0.16 0.00 -1.18 0.00 0.00 61.69 61.17 1xqq s THR 55 Cb 0.01 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 55 CO 0.02 -0.61 1.88 -0.07 -0.54 0.00 0.00 174.62 175.30 1xqq h LEU 56 N 0.94 0.00 -1.35 4.79 3.38 -1.25 -1.92 115.31 119.90 1xqq h LEU 56 Ca -0.47 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 56 Cb 1.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1xqq h LEU 56 CO 0.63 0.30 0.46 0.77 0.09 0.00 0.00 178.44 180.69 1xqq h SER 57 N 0.00 0.74 0.97 -0.43 4.64 -1.59 0.05 113.55 117.93 1xqq h SER 57 Ca -0.00 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 1xqq h SER 57 Cb 0.57 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1xqq h SER 57 CO 0.04 0.52 -1.07 -0.78 -0.87 0.00 0.00 176.83 174.67 1xqq h ASP 58 N 0.87 0.00 1.23 4.97 3.58 -1.69 -2.52 116.42 122.87 1xqq h ASP 58 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1xqq h ASP 58 Cb -0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1xqq h ASP 58 CO -0.07 0.93 -0.05 1.88 -2.88 0.00 0.00 179.24 179.05 1xqq h TYR 59 N 0.00 0.00 -2.23 0.28 0.05 -1.42 -3.48 116.97 110.17 1xqq h TYR 59 Ca -0.06 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.53 1xqq h TYR 59 Cb 1.76 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.52 1xqq h TYR 59 CO 0.00 0.05 -0.28 0.09 -1.05 0.00 0.00 178.16 176.97 1xqq n ASN 60 N -3.15 -3.62 -4.74 3.88 4.13 -0.16 -5.01 115.26 106.60 1xqq n ASN 60 Ca 0.01 -0.12 -0.39 0.00 1.68 0.00 0.00 54.58 55.76 1xqq n ASN 60 Cb 0.39 -2.56 -0.05 0.00 -1.54 0.00 0.00 39.78 36.02 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 -2.79 5.01 0.54 2.41 1.01 -0.25 -5.01 121.20 122.11 1xqq s ILE 61 Ca 0.13 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.12 1xqq s ILE 61 Cb -0.06 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1xqq s ILE 61 CO 0.16 0.34 0.75 -1.10 0.00 0.00 0.00 174.94 175.08 1xqq s GLN 62 N 0.33 2.41 0.21 2.79 -0.21 -1.26 -4.49 119.66 119.43 1xqq s GLN 62 Ca 0.33 -1.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.01 1xqq s GLN 62 Cb -0.18 -2.63 -0.16 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 62 CO 0.16 -0.74 0.90 0.36 -2.12 0.00 0.00 175.29 173.86 1xqq n LYS 63 N -2.20 0.78 -1.95 2.91 2.85 -1.26 -3.57 118.16 115.71 1xqq n LYS 63 Ca 0.13 0.27 -0.21 0.00 -1.05 0.00 0.00 58.31 57.45 1xqq n LYS 63 Cb 0.61 -1.57 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N 1.15 -1.55 -2.31 -1.58 1.02 0.94 -4.96 120.64 113.35 1xqq n GLU 64 Ca 0.14 1.14 -0.32 0.00 -0.02 0.00 0.00 57.16 58.10 1xqq n GLU 64 Cb 0.26 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 26.01 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 -2.46 6.37 -0.44 1.62 0.01 -1.23 -4.71 113.70 112.86 1xqq s SER 65 Ca 0.00 1.66 -0.16 0.00 1.31 0.00 0.00 55.95 58.76 1xqq s SER 65 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1xqq s SER 65 CO 0.00 -0.76 0.41 -0.89 0.41 0.00 0.00 173.24 172.41 1xqq s THR 66 N -2.54 5.14 0.21 1.44 2.01 -1.26 -1.04 115.64 119.61 1xqq s THR 66 Ca 0.61 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1xqq s THR 66 Cb -0.12 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1xqq s THR 66 CO 0.32 -0.46 0.33 -0.76 -0.69 0.00 0.00 174.62 173.36 1xqq s LEU 67 N 1.97 4.32 -0.09 4.42 1.02 0.10 -4.62 118.68 125.80 1xqq s LEU 67 Ca 0.09 0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.38 1xqq s LEU 67 Cb -0.19 -2.87 0.00 0.00 0.02 0.00 0.00 46.19 43.15 1xqq s LEU 67 CO 0.11 -0.03 -0.22 -1.00 0.02 0.00 0.00 176.35 175.24 1xqq s HIS 68 N -1.90 2.33 -0.65 0.29 3.76 0.42 -0.35 115.29 119.20 1xqq s HIS 68 Ca 0.34 -0.90 -0.23 0.00 -0.15 0.00 0.00 55.06 54.12 1xqq s HIS 68 Cb -0.10 -1.57 0.06 0.00 1.11 0.00 0.00 32.58 32.09 1xqq s HIS 68 CO 0.29 -0.36 0.97 -1.17 -0.85 0.00 0.00 174.74 173.62 1xqq s LEU 69 N 0.32 4.29 -0.27 0.89 2.96 0.77 -1.35 118.68 126.29 1xqq s LEU 69 Ca -0.16 -0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 52.73 1xqq s LEU 69 Cb -0.17 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1xqq s LEU 69 CO 0.07 -1.43 0.32 -0.69 -1.32 0.00 0.00 176.35 173.30 1xqq s VAL 70 N 4.12 5.22 -0.27 1.68 1.01 0.33 -4.17 120.40 128.32 1xqq s VAL 70 Ca 0.24 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 1xqq s VAL 70 Cb -0.16 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xqq s VAL 70 CO 0.12 0.19 1.30 -0.22 0.00 0.00 0.00 175.10 176.48 1xqq s LEU 71 N 1.94 3.95 0.11 3.92 2.96 -1.26 -1.29 118.68 129.01 1xqq s LEU 71 Ca 0.13 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 1xqq s LEU 71 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1xqq s LEU 71 CO 0.10 -1.01 0.21 -0.60 -1.32 0.00 0.00 176.35 173.73 1xqq s ARG 72 N 4.03 3.28 0.50 1.98 3.52 -0.31 -4.95 118.95 127.01 1xqq s ARG 72 Ca 0.56 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1xqq s ARG 72 Cb -0.18 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1xqq s ARG 72 CO 0.21 0.55 0.77 -1.17 -0.81 0.00 0.00 175.30 174.85 1xqq s LEU 73 N -2.85 3.52 0.12 -0.88 2.96 -1.26 -4.66 118.68 115.62 1xqq s LEU 73 Ca 0.33 0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 54.63 1xqq s LEU 73 Cb -0.12 -3.45 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 1xqq s LEU 73 CO 0.27 -0.78 0.60 0.00 -1.32 0.00 0.00 176.35 175.12 1xqq s ARG 74 N -4.73 4.19 -0.19 1.98 1.70 -1.26 -4.06 118.95 116.57 1xqq s ARG 74 Ca 0.50 0.74 -0.01 0.00 -0.47 0.00 0.00 55.73 56.49 1xqq s ARG 74 Cb -0.10 -3.12 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 1xqq s ARG 74 CO 0.42 0.56 0.16 0.41 -1.08 0.00 0.00 175.30 175.77 1xqq n GLY 75 N 1.36 0.50 0.00 3.88 0.00 -1.26 -5.24 105.19 104.43 1xqq n GLY 75 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93