#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 3.01 0.03 3.17 -0.21 -1.26 -1.10 119.66 123.30 1xqq s GLN 2 Ca 0.00 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.08 1xqq s GLN 2 Cb 0.00 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 1xqq s GLN 2 CO 0.00 0.71 -0.25 0.96 -2.12 0.00 0.00 175.29 174.59 1xqq s ILE 3 N -0.90 2.27 -0.21 1.08 -4.36 -0.66 -0.98 121.20 117.44 1xqq s ILE 3 Ca 0.14 -1.31 -0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1xqq s ILE 3 Cb -0.11 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 1xqq s ILE 3 CO 0.03 0.39 0.06 -0.36 0.24 0.00 0.00 174.94 175.30 1xqq s PHE 4 N -0.80 3.17 -0.26 1.37 0.08 -0.79 -1.25 117.98 119.50 1xqq s PHE 4 Ca 0.12 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.07 1xqq s PHE 4 Cb -0.10 -2.13 0.06 0.00 -0.57 0.00 0.00 43.02 40.28 1xqq s PHE 4 CO 0.02 -0.05 -0.10 0.08 -0.10 0.00 0.00 175.22 175.07 1xqq s VAL 5 N 0.86 2.13 -0.04 -0.44 1.01 0.55 -0.74 120.40 123.73 1xqq s VAL 5 Ca 0.03 -1.63 0.06 0.00 0.00 0.00 0.00 61.98 60.44 1xqq s VAL 5 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1xqq s VAL 5 CO 0.02 -0.05 -0.22 -0.75 0.00 0.00 0.00 175.10 174.11 1xqq s LYS 6 N 1.11 2.36 1.08 2.72 2.20 -0.94 -1.47 119.74 126.80 1xqq s LYS 6 Ca -0.08 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 54.50 1xqq s LYS 6 Cb -0.20 -2.19 0.26 0.00 -1.51 0.00 0.00 37.83 34.19 1xqq s LYS 6 CO -0.05 0.54 1.08 0.25 -0.36 0.00 0.00 175.35 176.80 1xqq n THR 7 N 2.53 0.00 0.05 3.43 -2.24 -0.92 -0.29 114.28 116.84 1xqq n THR 7 Ca -0.17 -0.58 -0.20 0.00 -2.27 0.00 0.00 64.05 60.83 1xqq n THR 7 Cb 0.52 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.33 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 0.90 0.23 3.22 5.85 -1.92 -2.74 115.31 120.86 1xqq h LEU 8 Ca -0.39 -0.74 -0.01 0.00 0.84 0.00 0.00 57.88 57.59 1xqq h LEU 8 Cb 1.15 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1xqq h LEU 8 CO 0.26 1.54 -0.11 0.71 -0.34 0.00 0.00 178.44 180.50 1xqq h THR 9 N 0.38 0.52 0.00 1.05 1.35 -1.95 -3.49 112.91 110.77 1xqq h THR 9 Ca -0.14 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1xqq h THR 9 Cb 1.72 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1xqq h THR 9 CO 0.21 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1xqq n GLY 10 N 0.63 0.47 3.60 5.82 0.00 -1.03 -5.10 105.19 109.57 1xqq n GLY 10 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 3.69 -0.20 1.61 2.20 -1.26 -4.83 119.74 120.95 1xqq s LYS 11 Ca 0.00 0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 56.06 1xqq s LYS 11 Cb 0.00 -3.93 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1xqq s LYS 11 CO 0.00 -1.43 0.33 0.99 -0.36 0.00 0.00 175.35 174.88 1xqq s THR 12 N 4.63 5.25 0.14 3.43 2.01 -1.26 -2.16 115.64 127.69 1xqq s THR 12 Ca 0.50 0.58 0.06 0.00 0.31 0.00 0.00 61.69 63.13 1xqq s THR 12 Cb -0.08 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1xqq s THR 12 CO 0.32 0.30 0.02 0.27 -0.69 0.00 0.00 174.62 174.83 1xqq s ILE 13 N 1.06 3.92 -0.12 1.82 -4.36 -0.54 -4.94 121.20 118.03 1xqq s ILE 13 Ca 0.16 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.35 1xqq s ILE 13 Cb -0.14 -2.94 0.01 0.00 1.25 0.00 0.00 42.46 40.65 1xqq s ILE 13 CO 0.06 -0.02 -0.19 -0.89 0.24 0.00 0.00 174.94 174.14 1xqq s THR 14 N -1.57 1.79 0.04 8.37 2.01 -1.26 -0.33 115.64 124.68 1xqq s THR 14 Ca 0.27 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.54 1xqq s THR 14 Cb -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1xqq s THR 14 CO 0.19 0.50 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.61 1xqq s LEU 15 N 0.86 2.26 -0.50 4.42 1.43 -0.38 -4.97 118.68 121.79 1xqq s LEU 15 Ca -0.08 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1xqq s LEU 15 Cb -0.15 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.83 1xqq s LEU 15 CO -0.01 0.26 0.44 -0.70 0.23 0.00 0.00 176.35 176.57 1xqq s GLU 16 N -1.23 2.91 0.34 1.70 2.56 -1.26 -1.65 118.70 122.07 1xqq s GLU 16 Ca 0.12 -1.59 0.09 0.00 0.00 0.00 0.00 54.97 53.59 1xqq s GLU 16 Cb -0.10 -4.18 -0.06 0.00 2.00 0.00 0.00 34.13 31.79 1xqq s GLU 16 CO 0.02 -1.20 -0.01 0.14 -0.56 0.00 0.00 175.26 173.65 1xqq s VAL 17 N 1.58 2.50 0.46 3.70 -7.23 -0.26 -4.88 120.40 116.27 1xqq s VAL 17 Ca 0.04 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1xqq s VAL 17 Cb -0.27 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1xqq s VAL 17 CO 0.04 -0.19 0.25 -1.61 -0.31 0.00 0.00 175.10 173.27 1xqq s GLU 18 N -3.69 2.26 0.21 4.82 2.02 -1.26 0.04 118.70 123.10 1xqq s GLU 18 Ca 0.34 -1.92 0.24 0.00 0.02 0.00 0.00 54.97 53.65 1xqq s GLU 18 Cb 0.01 -2.01 0.91 0.00 0.10 0.00 0.00 34.13 33.14 1xqq s GLU 18 CO 0.19 -0.29 1.73 -2.30 0.02 0.00 0.00 175.26 174.60 1xqq n PRO 19 N -1.42 0.19 -0.03 0.39 -0.02 -1.26 -1.79 135.00 131.06 1xqq n PRO 19 Ca -0.03 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1xqq n PRO 19 Cb 0.64 -1.80 0.30 0.00 -0.02 0.00 0.00 33.50 32.62 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xqq n SER 20 N -2.16 2.33 -4.86 2.55 7.64 -1.26 -1.07 113.62 116.80 1xqq n SER 20 Ca 0.04 -1.78 -0.31 0.00 1.01 0.00 0.00 58.87 57.83 1xqq n SER 20 Cb 0.30 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.91 6.65 0.25 6.43 1.11 -0.74 -4.74 116.67 123.73 1xqq s ASP 21 Ca 0.33 1.21 0.05 0.00 0.18 0.00 0.00 52.55 54.33 1xqq s ASP 21 Cb 0.20 -2.35 -0.03 0.00 1.07 0.00 0.00 42.92 41.82 1xqq s ASP 21 CO 0.31 -0.30 0.36 0.42 1.18 0.00 0.00 175.17 177.14 1xqq s THR 22 N -2.17 5.01 0.20 -1.27 -4.23 -1.26 -1.57 115.64 110.34 1xqq s THR 22 Ca 0.53 -1.03 -0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1xqq s THR 22 Cb -0.10 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1xqq s THR 22 CO 0.24 -0.31 1.72 0.40 -0.54 0.00 0.00 174.62 176.13 1xqq h ILE 23 N 1.16 1.26 -0.72 2.99 1.08 -0.95 -0.38 117.51 121.95 1xqq h ILE 23 Ca -0.51 -0.96 0.10 0.00 -0.39 0.00 0.00 64.86 63.10 1xqq h ILE 23 Cb 1.23 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 1xqq h ILE 23 CO 0.60 0.37 0.48 -0.08 -0.69 0.00 0.00 178.15 178.82 1xqq h GLU 24 N 1.07 0.59 -0.04 2.37 4.81 -1.54 -0.95 114.58 120.89 1xqq h GLU 24 Ca 0.22 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1xqq h GLU 24 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1xqq h GLU 24 CO 0.00 0.39 -0.61 -0.97 -0.73 0.00 0.00 179.01 177.09 1xqq h ASN 25 N 0.61 0.15 -0.29 1.04 -0.00 -1.53 -2.54 115.58 113.02 1xqq h ASN 25 Ca 0.33 -0.09 -0.09 0.00 -0.00 0.00 0.00 56.30 56.45 1xqq h ASN 25 Cb 0.49 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.76 1xqq h ASN 25 CO -0.12 0.72 -0.18 0.58 -0.00 0.00 0.00 177.43 178.44 1xqq h VAL 26 N 0.09 1.30 -0.67 2.57 2.07 0.15 -2.82 116.25 118.94 1xqq h VAL 26 Ca -0.01 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1xqq h VAL 26 Cb 1.10 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1xqq h VAL 26 CO 0.09 0.42 0.44 0.11 0.02 0.00 0.00 177.57 178.65 1xqq h LYS 27 N 0.38 0.72 -0.82 1.57 1.57 -1.31 -2.63 116.57 116.06 1xqq h LYS 27 Ca 0.06 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1xqq h LYS 27 Cb 0.72 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.80 1xqq h LYS 27 CO 0.05 0.48 0.49 0.00 -0.57 0.00 0.00 179.45 179.89 1xqq h ALA 28 N 1.62 1.16 -0.01 3.86 0.00 -1.19 -2.68 119.26 122.02 1xqq h ALA 28 Ca 0.28 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 1xqq h ALA 28 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xqq h ALA 28 CO -0.08 0.16 -0.80 0.87 0.00 0.00 0.00 179.25 179.39 1xqq h LYS 29 N 0.84 0.15 -0.18 0.00 1.79 -1.46 -2.94 116.57 114.77 1xqq h LYS 29 Ca 0.38 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1xqq h LYS 29 Cb 0.28 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1xqq h LYS 29 CO -0.22 0.87 0.11 0.82 -1.08 0.00 0.00 179.45 179.95 1xqq h ILE 30 N 0.09 1.08 -0.63 1.86 2.04 -1.45 0.11 117.51 120.61 1xqq h ILE 30 Ca -0.03 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1xqq h ILE 30 Cb 1.40 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.28 1xqq h ILE 30 CO 0.12 0.07 0.20 -0.61 0.00 0.00 0.00 178.15 177.93 1xqq h GLN 31 N 0.21 0.34 0.38 2.37 4.15 -1.48 -0.81 115.11 120.27 1xqq h GLN 31 Ca 0.06 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1xqq h GLN 31 Cb 0.03 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1xqq h GLN 31 CO -0.01 0.23 -0.18 0.22 -1.93 0.00 0.00 178.83 177.15 1xqq h ASP 32 N 0.35 -0.43 0.19 -0.69 3.58 -1.28 -2.96 116.42 115.18 1xqq h ASP 32 Ca 0.33 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.81 1xqq h ASP 32 Cb 0.47 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 1xqq h ASP 32 CO -0.37 -0.14 -0.40 0.50 -2.88 0.00 0.00 179.24 175.96 1xqq h LYS 33 N -0.84 -0.65 0.00 0.28 3.64 -0.85 -3.39 116.57 114.76 1xqq h LYS 33 Ca -0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xqq h LYS 33 Cb 0.39 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1xqq h LYS 33 CO 0.09 -0.43 -0.37 -1.91 -2.27 0.00 0.00 179.45 174.55 1xqq n GLU 34 N -5.46 0.26 0.00 1.90 4.07 -0.35 -5.08 120.64 115.97 1xqq n GLU 34 Ca -0.08 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1xqq n GLU 34 Cb 0.37 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xqq n GLY 35 N 1.60 0.82 3.53 8.31 0.00 -0.94 -5.01 105.19 113.50 1xqq n GLY 35 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.82 5.03 0.51 -0.61 1.01 -1.25 -4.95 121.20 120.11 1xqq s ILE 36 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 1xqq s ILE 36 Cb 0.00 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1xqq s ILE 36 CO 0.00 0.17 0.83 -2.65 0.00 0.00 0.00 174.94 173.29 1xqq n PRO 37 N 5.04 0.93 -0.01 2.79 -0.02 -1.26 -3.82 135.00 138.65 1xqq n PRO 37 Ca -0.14 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.63 1xqq n PRO 37 Cb 0.51 -1.94 0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xqq h PRO 38 N 0.84 0.56 0.00 0.52 0.11 -1.95 -2.45 132.00 129.63 1xqq h PRO 38 Ca -0.45 -0.26 -0.14 0.00 0.11 0.00 0.00 66.00 65.26 1xqq h PRO 38 Cb 1.37 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1xqq h PRO 38 CO 0.52 0.83 -0.67 -0.44 -0.21 0.00 0.00 178.00 178.03 1xqq h ASP 39 N 0.48 0.00 -0.75 -2.05 3.32 -1.98 -3.20 116.42 112.25 1xqq h ASP 39 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1xqq h ASP 39 Cb 0.82 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1xqq h ASP 39 CO 0.07 0.67 0.32 -0.61 -1.72 0.00 0.00 179.24 177.96 1xqq h GLN 40 N 0.00 1.12 -6.89 3.56 4.15 -1.82 -3.45 115.11 111.77 1xqq h GLN 40 Ca -0.01 -0.19 -0.53 0.00 0.77 0.00 0.00 58.65 58.70 1xqq h GLN 40 Cb 1.43 -0.19 0.07 0.00 0.21 0.00 0.00 27.48 29.00 1xqq h GLN 40 CO 0.09 0.89 0.66 -0.65 -1.93 0.00 0.00 178.83 177.89 1xqq s GLN 41 N -5.54 4.30 -0.32 1.69 -0.21 -1.03 -1.62 119.66 116.92 1xqq s GLN 41 Ca -0.12 2.26 0.01 0.00 0.02 0.00 0.00 55.36 57.53 1xqq s GLN 41 Cb 0.16 -3.04 0.10 0.00 1.00 0.00 0.00 33.01 31.24 1xqq s GLN 41 CO 0.83 -0.26 0.09 0.50 -2.12 0.00 0.00 175.29 174.33 1xqq s ARG 42 N -1.87 0.96 -0.03 2.91 6.06 0.40 -4.90 118.95 122.48 1xqq s ARG 42 Ca 0.50 -1.35 -0.24 0.00 -2.50 0.00 0.00 55.73 52.14 1xqq s ARG 42 Cb -0.41 -2.36 -0.04 0.00 0.06 0.00 0.00 34.95 32.20 1xqq s ARG 42 CO 0.54 -0.98 0.72 -0.51 -2.50 0.00 0.00 175.30 172.57 1xqq s LEU 43 N 1.35 4.36 -0.03 -0.88 1.43 -1.26 -1.62 118.68 122.04 1xqq s LEU 43 Ca 0.10 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1xqq s LEU 43 Cb -0.18 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.91 1xqq s LEU 43 CO -0.19 -0.07 -0.12 -0.63 0.23 0.00 0.00 176.35 175.57 1xqq s ILE 44 N 0.53 0.97 -0.26 -0.59 1.01 -0.91 -1.40 121.20 120.55 1xqq s ILE 44 Ca 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1xqq s ILE 44 Cb -0.19 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1xqq s ILE 44 CO 0.20 0.29 -0.02 0.12 0.00 0.00 0.00 174.94 175.52 1xqq s PHE 45 N 0.06 3.09 0.00 3.97 5.36 -0.63 -1.84 117.98 127.99 1xqq s PHE 45 Ca -0.02 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.53 1xqq s PHE 45 Cb -0.08 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1xqq s PHE 45 CO 0.01 -0.69 0.00 0.00 -1.46 0.00 0.00 175.22 173.07 1xqq n ALA 46 N 4.71 0.00 -2.09 11.12 0.00 -1.26 -1.18 120.51 131.81 1xqq n ALA 46 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.71 3.56 0.00 0.00 -1.26 -5.07 105.19 103.13 1xqq n GLY 47 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.87 -0.07 1.61 1.02 -0.32 -5.07 119.74 120.77 1xqq s LYS 48 Ca 0.06 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 1xqq s LYS 48 Cb 0.07 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1xqq s LYS 48 CO -0.03 0.03 0.48 -0.65 -0.92 0.00 0.00 175.35 174.25 1xqq s GLN 49 N 1.07 4.25 -0.16 1.68 -0.21 -1.26 -1.61 119.66 123.43 1xqq s GLN 49 Ca 0.05 0.48 -0.16 0.00 0.02 0.00 0.00 55.36 55.75 1xqq s GLN 49 Cb -0.14 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 1xqq s GLN 49 CO 0.04 0.30 0.39 -0.51 -2.12 0.00 0.00 175.29 173.39 1xqq s LEU 50 N 0.13 4.23 0.25 2.90 1.43 -0.50 -5.01 118.68 122.12 1xqq s LEU 50 Ca 0.26 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.68 1xqq s LEU 50 Cb -0.16 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.45 1xqq s LEU 50 CO 0.12 0.02 0.99 -1.61 0.23 0.00 0.00 176.35 176.10 1xqq s GLU 51 N 0.74 4.79 0.13 1.70 2.02 -1.26 -4.86 118.70 121.96 1xqq s GLU 51 Ca 0.21 1.58 -0.20 0.00 0.02 0.00 0.00 54.97 56.58 1xqq s GLU 51 Cb -0.14 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 1xqq s GLU 51 CO 0.07 0.41 1.70 -0.44 0.02 0.00 0.00 175.26 177.02 1xqq h ASP 52 N 4.12 -0.22 -0.02 -0.19 5.19 -1.96 -2.62 116.42 120.73 1xqq h ASP 52 Ca -0.45 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1xqq h ASP 52 Cb 1.20 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1xqq h ASP 52 CO 0.68 -0.08 0.00 0.61 -3.12 0.00 0.00 179.24 177.33 1xqq n GLY 53 N -1.21 -0.53 3.90 2.75 0.00 -1.26 -1.48 105.19 107.36 1xqq n GLY 53 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.98 2.76 0.48 1.61 1.81 -0.99 -4.87 118.95 117.76 1xqq s ARG 54 Ca 0.41 0.28 0.06 0.00 -1.72 0.00 0.00 55.73 54.77 1xqq s ARG 54 Cb 0.20 -2.08 0.06 0.00 -0.45 0.00 0.00 34.95 32.68 1xqq s ARG 54 CO 0.33 -1.01 0.51 0.25 -0.68 0.00 0.00 175.30 174.70 1xqq n THR 55 N -2.93 0.00 0.06 0.02 -2.24 -1.26 -1.74 114.28 106.19 1xqq n THR 55 Ca 0.06 -1.74 -0.06 0.00 -2.27 0.00 0.00 64.05 60.04 1xqq n THR 55 Cb 0.58 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 1xqq n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 56 N 0.00 0.00 -0.77 3.22 3.38 -1.30 -3.28 115.31 116.56 1xqq h LEU 56 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1xqq h LEU 56 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.40 0.93 -0.05 -1.28 0.09 0.00 0.00 178.44 178.53 1xqq h SER 57 N 0.00 0.87 -0.94 -0.43 0.87 -1.34 -1.83 113.55 110.75 1xqq h SER 57 Ca -0.05 -0.24 0.11 0.00 -1.23 0.00 0.00 61.79 60.38 1xqq h SER 57 Cb 1.75 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 63.40 1xqq h SER 57 CO 0.11 0.96 0.57 0.44 -0.53 0.00 0.00 176.83 178.39 1xqq h ASP 58 N 0.81 0.84 -0.08 6.23 3.32 -1.83 -0.86 116.42 124.86 1xqq h ASP 58 Ca 0.14 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xqq h ASP 58 Cb 0.55 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1xqq h ASP 58 CO 0.03 0.46 0.00 -1.22 -1.72 0.00 0.00 179.24 176.79 1xqq n TYR 59 N -4.66 0.08 -1.01 4.55 4.01 -1.06 -4.97 117.16 114.09 1xqq n TYR 59 Ca 0.17 -0.04 -0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1xqq n TYR 59 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.63 -3.06 -4.47 7.72 4.13 -0.33 -4.97 115.26 114.91 1xqq n ASN 60 Ca 0.17 0.01 -0.43 0.00 1.68 0.00 0.00 54.58 56.02 1xqq n ASN 60 Cb 0.44 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 38.04 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 -2.01 4.26 0.00 2.41 1.01 -0.78 -4.97 121.20 121.11 1xqq s ILE 61 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1xqq s ILE 61 Cb 0.00 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.75 1xqq s ILE 61 CO 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 174.94 173.42 1xqq n GLN 62 N 7.89 2.60 -1.66 2.79 6.02 -1.26 -4.53 117.38 129.22 1xqq n GLN 62 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 1xqq n GLN 62 Cb 0.46 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xqq s LYS 63 N -0.16 2.84 0.00 -1.09 2.20 -1.26 -2.38 119.74 119.89 1xqq s LYS 63 Ca 0.00 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1xqq s LYS 63 Cb 0.00 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 1xqq s LYS 63 CO 0.00 -2.44 0.00 0.39 -0.36 0.00 0.00 175.35 172.94 1xqq n GLU 64 N 8.81 0.00 -3.46 4.03 1.02 -0.16 -5.01 120.64 125.88 1xqq n GLU 64 Ca 0.30 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.08 1xqq n GLU 64 Cb 0.48 -2.15 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 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 -2.84 6.80 -0.26 1.62 0.01 -1.00 -4.88 113.70 113.15 1xqq s SER 65 Ca 0.00 0.98 -0.09 0.00 1.31 0.00 0.00 55.95 58.15 1xqq s SER 65 Cb 0.00 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1xqq s SER 65 CO 0.00 0.22 0.14 -0.89 0.41 0.00 0.00 173.24 173.12 1xqq s THR 66 N -1.27 4.93 0.52 1.44 2.01 -1.26 -1.88 115.64 120.13 1xqq s THR 66 Ca 0.31 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 1xqq s THR 66 Cb -0.16 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1xqq s THR 66 CO 0.17 0.30 0.86 -0.76 -0.69 0.00 0.00 174.62 174.50 1xqq s LEU 67 N 1.55 3.51 -0.12 4.42 1.02 0.08 -4.76 118.68 124.37 1xqq s LEU 67 Ca 0.07 1.06 -0.04 0.00 0.02 0.00 0.00 54.13 55.23 1xqq s LEU 67 Cb -0.15 -4.04 -0.04 0.00 0.02 0.00 0.00 46.19 41.98 1xqq s LEU 67 CO 0.07 -0.67 0.03 -1.00 0.02 0.00 0.00 176.35 174.80 1xqq s HIS 68 N -2.87 3.23 -0.28 0.29 3.76 -0.77 -2.22 115.29 116.43 1xqq s HIS 68 Ca 0.50 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 1xqq s HIS 68 Cb -0.10 -1.91 0.05 0.00 1.11 0.00 0.00 32.58 31.72 1xqq s HIS 68 CO 0.47 0.36 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.51 1xqq s LEU 69 N -0.41 3.57 -0.09 0.89 2.96 0.60 -2.14 118.68 124.07 1xqq s LEU 69 Ca 0.08 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.78 1xqq s LEU 69 Cb -0.12 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1xqq s LEU 69 CO 0.02 -0.20 0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 1xqq s VAL 70 N 1.24 4.91 -0.06 1.68 1.01 -0.64 -4.19 120.40 124.35 1xqq s VAL 70 Ca -0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1xqq s VAL 70 Cb -0.19 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1xqq s VAL 70 CO -0.03 0.57 0.39 -0.76 0.00 0.00 0.00 175.10 175.27 1xqq s LEU 71 N -1.09 4.39 0.12 3.92 1.43 -1.26 -0.45 118.68 125.74 1xqq s LEU 71 Ca 0.16 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 1xqq s LEU 71 Cb -0.12 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 1xqq s LEU 71 CO 0.05 0.22 1.16 -0.60 0.23 0.00 0.00 176.35 177.41 1xqq s ARG 72 N -0.43 4.50 -0.04 1.70 3.52 -0.64 -4.92 118.95 122.65 1xqq s ARG 72 Ca 0.22 1.76 -0.02 0.00 -0.13 0.00 0.00 55.73 57.56 1xqq s ARG 72 Cb -0.15 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1xqq s ARG 72 CO 0.10 -0.11 -0.04 1.25 -0.81 0.00 0.00 175.30 175.70 1xqq h LEU 73 N 5.93 0.00 0.00 -0.88 5.85 -1.97 -3.50 115.31 120.74 1xqq h LEU 73 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1xqq h LEU 73 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1xqq h LEU 73 CO 0.77 0.20 0.00 -1.14 -0.34 0.00 0.00 178.44 177.93 1xqq n ARG 74 N -2.90 0.00 0.00 1.25 0.63 -1.26 -5.14 116.66 109.24 1xqq n ARG 74 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1xqq n ARG 74 Cb 0.06 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.97 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 4.95 7.30 0.85 5.14 0.00 -1.26 -5.16 105.19 117.01 1xqq n GLY 75 Ca 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.14 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93