#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 4.70 0.21 2.12 0.74 -1.26 -1.32 119.66 124.85 1xqq s GLN 2 Ca 0.00 1.52 0.11 0.00 0.05 0.00 0.00 55.36 57.04 1xqq s GLN 2 Cb 0.00 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 1xqq s GLN 2 CO 0.00 0.24 -0.23 0.96 -0.55 0.00 0.00 175.29 175.71 1xqq s ILE 3 N -0.27 2.32 -0.21 -2.34 -4.36 -0.13 -0.16 121.20 116.05 1xqq s ILE 3 Ca 0.46 -2.10 -0.06 0.00 -0.26 0.00 0.00 60.65 58.70 1xqq s ILE 3 Cb -0.25 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 1xqq s ILE 3 CO 0.31 -0.20 0.02 -0.36 0.24 0.00 0.00 174.94 174.95 1xqq s PHE 4 N -1.89 3.06 -0.29 1.37 0.08 -0.46 -2.14 117.98 117.71 1xqq s PHE 4 Ca 0.22 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1xqq s PHE 4 Cb -0.07 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1xqq s PHE 4 CO 0.11 -0.26 0.06 0.08 -0.10 0.00 0.00 175.22 175.11 1xqq s VAL 5 N 1.11 3.80 -0.25 -0.44 1.01 0.78 0.20 120.40 126.60 1xqq s VAL 5 Ca 0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1xqq s VAL 5 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1xqq s VAL 5 CO 0.02 0.10 0.15 -0.75 0.00 0.00 0.00 175.10 174.62 1xqq s LYS 6 N 1.47 3.95 0.81 2.72 2.20 0.48 -0.16 119.74 131.22 1xqq s LYS 6 Ca 0.02 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.19 1xqq s LYS 6 Cb -0.17 -3.53 0.08 0.00 -1.51 0.00 0.00 37.83 32.69 1xqq s LYS 6 CO 0.01 -0.06 1.16 0.95 -0.36 0.00 0.00 175.35 177.05 1xqq s THR 7 N 1.37 2.27 -0.59 3.43 -4.23 -1.02 -1.34 115.64 115.54 1xqq s THR 7 Ca 0.07 0.09 0.25 0.00 -1.18 0.00 0.00 61.69 60.92 1xqq s THR 7 Cb -0.15 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.95 1xqq s THR 7 CO 0.07 -0.11 1.74 0.25 -0.54 0.00 0.00 174.62 176.02 1xqq h LEU 8 N -1.06 0.00 0.01 4.79 5.85 -1.86 -3.09 115.31 119.95 1xqq h LEU 8 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1xqq h LEU 8 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1xqq h LEU 8 CO 0.65 0.00 -0.01 0.71 -0.34 0.00 0.00 178.44 179.45 1xqq h THR 9 N 0.00 1.56 0.00 1.05 1.35 -1.94 -3.49 112.91 111.43 1xqq h THR 9 Ca 0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1xqq h THR 9 Cb 0.75 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1xqq h THR 9 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1xqq n GLY 10 N 1.17 0.31 3.66 5.82 0.00 -1.17 -5.15 105.19 109.83 1xqq n GLY 10 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 4.08 -0.78 1.61 2.20 -1.26 -4.87 119.74 120.73 1xqq s LYS 11 Ca 0.00 -0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.15 1xqq s LYS 11 Cb 0.00 -3.54 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1xqq s LYS 11 CO 0.00 0.04 1.21 0.99 -0.36 0.00 0.00 175.35 177.23 1xqq s THR 12 N 1.12 3.99 -0.07 3.43 2.01 -1.26 -2.42 115.64 122.43 1xqq s THR 12 Ca 0.09 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1xqq s THR 12 Cb -0.14 -4.87 -0.04 0.00 0.01 0.00 0.00 72.50 67.47 1xqq s THR 12 CO 0.05 -1.74 1.33 -0.63 -0.69 0.00 0.00 174.62 172.94 1xqq s ILE 13 N 4.95 4.01 -0.39 1.82 1.01 0.78 -4.90 121.20 128.48 1xqq s ILE 13 Ca 0.33 1.31 -0.14 0.00 0.00 0.00 0.00 60.65 62.16 1xqq s ILE 13 Cb -0.09 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1xqq s ILE 13 CO 0.08 -0.05 0.27 0.42 0.00 0.00 0.00 174.94 175.66 1xqq s THR 14 N 2.83 5.08 0.03 2.92 -4.23 -1.26 -0.16 115.64 120.85 1xqq s THR 14 Ca 0.60 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1xqq s THR 14 Cb -0.27 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 1xqq s THR 14 CO 0.22 -0.26 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.05 1xqq s LEU 15 N 1.65 2.32 -0.22 4.79 1.43 -0.91 -5.02 118.68 122.72 1xqq s LEU 15 Ca 0.04 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1xqq s LEU 15 Cb -0.19 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1xqq s LEU 15 CO 0.09 0.27 -0.01 -1.61 0.23 0.00 0.00 176.35 175.32 1xqq s GLU 16 N -1.20 3.50 0.29 1.70 2.02 -1.26 -0.96 118.70 122.79 1xqq s GLU 16 Ca 0.12 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.57 1xqq s GLU 16 Cb -0.10 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1xqq s GLU 16 CO 0.03 -0.12 0.13 0.14 0.02 0.00 0.00 175.26 175.45 1xqq s VAL 17 N 1.34 0.44 0.27 2.63 -7.23 -0.43 -4.96 120.40 112.45 1xqq s VAL 17 Ca 0.04 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1xqq s VAL 17 Cb -0.15 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1xqq s VAL 17 CO -0.00 0.00 0.05 -1.61 -0.31 0.00 0.00 175.10 173.23 1xqq s GLU 18 N -3.90 2.42 0.00 4.82 2.02 -1.26 -1.26 118.70 121.54 1xqq s GLU 18 Ca 0.36 -1.36 0.22 0.00 0.02 0.00 0.00 54.97 54.21 1xqq s GLU 18 Cb 0.06 -2.24 0.98 0.00 0.10 0.00 0.00 34.13 33.03 1xqq s GLU 18 CO 0.16 0.34 1.67 -0.35 0.02 0.00 0.00 175.26 177.10 1xqq n PRO 19 N -0.98 1.47 -0.11 0.39 -0.04 -1.26 -0.97 135.00 133.50 1xqq n PRO 19 Ca -0.06 -0.70 0.11 0.00 -0.04 0.00 0.00 63.50 62.80 1xqq n PRO 19 Cb 0.59 -1.39 0.31 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.09 2.25 -4.72 3.54 7.64 -1.26 0.31 113.62 121.28 1xqq n SER 20 Ca 0.17 -1.81 -0.42 0.00 1.01 0.00 0.00 58.87 57.82 1xqq n SER 20 Cb 0.25 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.53 6.91 0.68 6.43 1.01 -0.14 -4.86 116.67 125.17 1xqq s ASP 21 Ca 0.34 2.28 -0.12 0.00 0.71 0.00 0.00 52.55 55.76 1xqq s ASP 21 Cb 0.19 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1xqq s ASP 21 CO 0.28 -0.57 1.06 0.42 0.21 0.00 0.00 175.17 176.57 1xqq s THR 22 N 0.77 3.91 0.55 -1.27 -4.23 -1.26 -1.83 115.64 112.28 1xqq s THR 22 Ca 0.61 0.68 0.23 0.00 -1.18 0.00 0.00 61.69 62.03 1xqq s THR 22 Cb -0.35 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 70.49 1xqq s THR 22 CO 0.32 -0.76 2.09 0.40 -0.54 0.00 0.00 174.62 176.13 1xqq h ILE 23 N -0.53 0.74 -0.50 2.99 1.08 -1.16 -1.06 117.51 119.06 1xqq h ILE 23 Ca -0.44 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1xqq h ILE 23 Cb 1.21 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 1xqq h ILE 23 CO 0.56 0.00 0.21 -0.33 -0.69 0.00 0.00 178.15 177.90 1xqq h GLU 24 N 0.00 0.40 -0.36 2.37 5.08 -1.77 -2.16 114.58 118.13 1xqq h GLU 24 Ca 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xqq h GLU 24 Cb 0.50 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xqq h GLU 24 CO -0.00 0.26 0.12 -0.91 -1.00 0.00 0.00 179.01 177.48 1xqq h ASN 25 N 0.41 0.53 -0.57 1.42 2.35 -1.52 0.41 115.58 118.60 1xqq h ASN 25 Ca 0.24 -0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1xqq h ASN 25 Cb 0.22 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1xqq h ASN 25 CO -0.21 0.59 0.32 0.58 -1.65 0.00 0.00 177.43 177.05 1xqq h VAL 26 N 0.44 1.00 -0.23 2.81 2.07 -1.35 -1.49 116.25 119.49 1xqq h VAL 26 Ca 0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1xqq h VAL 26 Cb 0.25 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xqq h VAL 26 CO -0.00 0.11 0.15 0.11 0.02 0.00 0.00 177.57 177.95 1xqq h LYS 27 N 0.61 0.30 -0.33 1.57 1.57 -1.16 -3.04 116.57 116.10 1xqq h LYS 27 Ca 0.24 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1xqq h LYS 27 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xqq h LYS 27 CO -0.14 0.21 -0.02 0.00 -0.57 0.00 0.00 179.45 178.93 1xqq h ALA 28 N 1.85 0.45 0.00 3.86 0.00 -0.12 -1.78 119.26 123.52 1xqq h ALA 28 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xqq h ALA 28 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xqq h ALA 28 CO -0.02 0.23 -0.05 0.87 0.00 0.00 0.00 179.25 180.29 1xqq h LYS 29 N 0.40 0.00 -0.06 0.00 1.57 -1.31 -2.30 116.57 114.86 1xqq h LYS 29 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.66 1xqq h LYS 29 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1xqq h LYS 29 CO 0.02 0.05 -0.77 0.82 -0.57 0.00 0.00 179.45 179.00 1xqq h ILE 30 N 0.00 1.33 0.28 1.86 2.04 -1.37 -1.58 117.51 120.06 1xqq h ILE 30 Ca -0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1xqq h ILE 30 Cb 0.34 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1xqq h ILE 30 CO 0.01 0.63 -0.51 -0.61 0.00 0.00 0.00 178.15 177.66 1xqq h GLN 31 N 0.28 -0.82 -0.94 2.37 4.15 -1.14 0.17 115.11 119.18 1xqq h GLN 31 Ca -0.08 0.06 0.27 0.00 0.77 0.00 0.00 58.65 59.67 1xqq h GLN 31 Cb 1.43 0.19 -0.16 0.00 0.21 0.00 0.00 27.48 29.14 1xqq h GLN 31 CO 0.16 -0.55 0.19 0.22 -1.93 0.00 0.00 178.83 176.92 1xqq h ASP 32 N -0.85 -0.15 0.00 -0.69 1.82 -1.52 -1.63 116.42 113.40 1xqq h ASP 32 Ca -0.03 0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1xqq h ASP 32 Cb 0.80 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1xqq h ASP 32 CO -0.19 -0.28 -0.10 0.50 -1.61 0.00 0.00 179.24 177.56 1xqq h LYS 33 N 0.10 0.06 0.00 0.28 1.63 -0.89 -3.42 116.57 114.33 1xqq h LYS 33 Ca 0.61 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1xqq h LYS 33 Cb 1.31 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1xqq h LYS 33 CO -0.78 0.88 -1.06 0.39 -3.45 0.00 0.00 179.45 175.44 1xqq n GLU 34 N -4.61 1.32 -1.13 1.90 -0.58 0.56 -5.03 120.64 113.07 1xqq n GLU 34 Ca -0.10 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1xqq n GLU 34 Cb 0.45 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 1.89 1.02 3.30 0.62 0.00 -0.62 -5.03 105.19 106.38 1xqq n GLY 35 Ca -0.01 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 3.56 0.41 -0.61 1.01 -1.26 -5.03 121.20 117.29 1xqq s ILE 36 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 1xqq s ILE 36 Cb 0.00 -2.79 -0.09 0.00 0.01 0.00 0.00 42.46 39.59 1xqq s ILE 36 CO 0.00 0.18 1.40 -2.84 0.00 0.00 0.00 174.94 173.68 1xqq s PRO 37 N 1.45 3.95 0.00 2.79 0.02 -1.26 -3.92 135.00 138.03 1xqq s PRO 37 Ca 0.02 2.38 0.23 0.00 0.02 0.00 0.00 61.00 63.65 1xqq s PRO 37 Cb -0.16 -2.81 1.17 0.00 0.02 0.00 0.00 34.50 32.71 1xqq s PRO 37 CO -0.00 -0.59 1.74 -2.30 -0.33 0.00 0.00 177.00 175.52 1xqq n PRO 38 N 0.18 0.37 0.01 5.54 -0.02 -1.26 -1.53 135.00 138.28 1xqq n PRO 38 Ca 0.03 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1xqq n PRO 38 Cb 0.41 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.27 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xqq n ASP 39 N -1.26 0.26 -0.10 2.55 5.75 -1.26 -3.85 116.55 118.64 1xqq n ASP 39 Ca 0.11 0.10 -0.13 0.00 -0.01 0.00 0.00 54.79 54.86 1xqq n ASP 39 Cb 0.17 1.44 -0.03 0.00 -1.03 0.00 0.00 41.12 41.67 1xqq n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1xqq h GLN 40 N 0.00 0.80 -6.97 0.11 4.20 -1.65 -3.45 115.11 108.15 1xqq h GLN 40 Ca -0.05 -0.42 -0.54 0.00 0.06 0.00 0.00 58.65 57.70 1xqq h GLN 40 Cb 1.12 0.01 0.11 0.00 0.30 0.00 0.00 27.48 29.03 1xqq h GLN 40 CO 0.00 1.05 0.73 -0.65 -0.67 0.00 0.00 178.83 179.30 1xqq s GLN 41 N -4.38 3.85 0.07 1.46 -0.21 -1.13 -2.91 119.66 116.41 1xqq s GLN 41 Ca -0.12 2.48 0.04 0.00 0.02 0.00 0.00 55.36 57.78 1xqq s GLN 41 Cb 0.10 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1xqq s GLN 41 CO 0.85 -0.71 -0.12 1.03 -2.12 0.00 0.00 175.29 174.23 1xqq s ARG 42 N -2.31 0.77 -0.03 2.91 0.52 -1.11 -4.94 118.95 114.76 1xqq s ARG 42 Ca 0.58 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1xqq s ARG 42 Cb -0.45 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 1xqq s ARG 42 CO 0.59 0.13 -0.07 -0.51 0.02 0.00 0.00 175.30 175.45 1xqq s LEU 43 N -1.93 3.13 -0.02 2.53 1.43 -1.26 -2.44 118.68 120.12 1xqq s LEU 43 Ca -0.01 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1xqq s LEU 43 Cb -0.08 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1xqq s LEU 43 CO 0.01 0.33 -0.04 -0.63 0.23 0.00 0.00 176.35 176.25 1xqq s ILE 44 N -0.89 3.87 -0.06 -0.59 1.01 -0.94 -0.75 121.20 122.86 1xqq s ILE 44 Ca 0.14 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1xqq s ILE 44 Cb -0.11 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.71 1xqq s ILE 44 CO 0.04 0.46 -0.08 0.12 0.00 0.00 0.00 174.94 175.48 1xqq s PHE 45 N -0.96 1.11 -1.09 3.97 5.36 0.45 -2.72 117.98 124.10 1xqq s PHE 45 Ca 0.16 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.71 1xqq s PHE 45 Cb -0.11 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.70 1xqq s PHE 45 CO 0.06 -0.24 0.93 0.00 -1.46 0.00 0.00 175.22 174.52 1xqq n ALA 46 N 3.94 -1.37 0.00 11.12 0.00 -1.26 -2.46 120.51 130.48 1xqq n ALA 46 Ca -0.24 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xqq n ALA 46 Cb 0.51 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.36 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 -1.49 2.63 3.76 0.00 0.00 -1.26 -5.00 105.19 103.83 1xqq n GLY 47 Ca -0.10 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.15 0.21 1.61 2.20 -1.03 -5.01 119.74 121.88 1xqq s LYS 48 Ca 0.00 0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1xqq s LYS 48 Cb 0.00 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 1xqq s LYS 48 CO 0.00 0.35 1.06 -1.14 -0.36 0.00 0.00 175.35 175.26 1xqq s GLN 49 N 0.09 4.66 -0.10 4.03 0.74 -1.26 -0.41 119.66 127.41 1xqq s GLN 49 Ca 0.20 1.68 -0.15 0.00 0.05 0.00 0.00 55.36 57.15 1xqq s GLN 49 Cb -0.14 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1xqq s GLN 49 CO 0.07 0.21 0.37 -0.51 -0.55 0.00 0.00 175.29 174.87 1xqq s LEU 50 N -0.81 4.33 0.68 3.68 1.43 0.07 -4.90 118.68 123.17 1xqq s LEU 50 Ca 0.46 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1xqq s LEU 50 Cb -0.29 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.52 1xqq s LEU 50 CO 0.36 0.16 0.96 -1.61 0.23 0.00 0.00 176.35 176.45 1xqq s GLU 51 N -0.07 1.99 -0.10 1.70 2.02 -1.26 -4.58 118.70 118.40 1xqq s GLU 51 Ca 0.21 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 54.20 1xqq s GLU 51 Cb -0.15 -2.31 -0.20 0.00 0.10 0.00 0.00 34.13 31.57 1xqq s GLU 51 CO 0.08 -1.25 0.80 -0.44 0.02 0.00 0.00 175.26 174.48 1xqq h ASP 52 N -0.44 -0.04 0.27 -0.19 5.19 -1.98 -3.39 116.42 115.84 1xqq h ASP 52 Ca -0.41 -0.68 -0.04 0.00 -0.62 0.00 0.00 57.03 55.28 1xqq h ASP 52 Cb 1.29 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1xqq h ASP 52 CO 0.48 0.73 -0.21 1.23 -3.12 0.00 0.00 179.24 178.36 1xqq h GLY 53 N -0.88 0.00 -2.22 2.75 0.00 -1.97 -2.69 103.07 98.06 1xqq h GLY 53 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1xqq h GLY 53 CO 0.01 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 176.69 1xqq s ARG 54 N -4.44 2.59 0.73 4.80 0.52 -1.26 -4.75 118.95 117.13 1xqq s ARG 54 Ca -0.03 -1.48 -0.08 0.00 -0.52 0.00 0.00 55.73 53.61 1xqq s ARG 54 Cb 0.15 -2.44 0.06 0.00 0.52 0.00 0.00 34.95 33.24 1xqq s ARG 54 CO 0.68 -0.21 1.06 0.95 0.02 0.00 0.00 175.30 177.80 1xqq s THR 55 N -2.45 2.26 0.19 0.02 -4.23 -1.26 -1.65 115.64 108.52 1xqq s THR 55 Ca 0.49 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 1xqq s THR 55 Cb -0.04 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.68 1xqq s THR 55 CO 0.29 -0.03 1.47 -0.07 -0.54 0.00 0.00 174.62 175.74 1xqq h LEU 56 N -0.73 0.39 -1.01 4.79 3.38 -1.22 -2.20 115.31 118.71 1xqq h LEU 56 Ca -0.45 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.33 1xqq h LEU 56 Cb 1.32 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1xqq h LEU 56 CO 0.62 0.97 0.65 -1.28 0.09 0.00 0.00 178.44 179.49 1xqq h SER 57 N 0.23 1.06 -0.01 -0.43 0.87 -0.44 -0.33 113.55 114.50 1xqq h SER 57 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1xqq h SER 57 Cb 1.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1xqq h SER 57 CO 0.12 0.69 0.00 0.44 -0.53 0.00 0.00 176.83 177.55 1xqq h ASP 58 N 1.21 0.01 -0.90 6.23 3.32 -1.68 -3.20 116.42 121.41 1xqq h ASP 58 Ca 0.42 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.31 1xqq h ASP 58 Cb 0.11 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1xqq h ASP 58 CO -0.16 0.22 0.57 1.88 -1.72 0.00 0.00 179.24 180.04 1xqq h TYR 59 N -0.20 1.07 -2.71 4.55 0.05 -1.43 -3.48 116.97 114.83 1xqq h TYR 59 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1xqq h TYR 59 Cb 0.21 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1xqq h TYR 59 CO -0.00 0.57 0.00 0.09 -1.05 0.00 0.00 178.16 177.77 1xqq n ASN 60 N -4.56 -1.80 -4.32 3.88 3.02 -0.27 -5.09 115.26 106.11 1xqq n ASN 60 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 1xqq n ASN 60 Cb 0.15 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.90 4.78 0.84 2.41 1.01 -0.39 -5.02 121.20 121.93 1xqq s ILE 61 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 1xqq s ILE 61 Cb 0.00 -3.94 0.19 0.00 0.01 0.00 0.00 42.46 38.72 1xqq s ILE 61 CO 0.00 -0.62 1.15 0.00 0.00 0.00 0.00 174.94 175.47 1xqq n GLN 62 N 5.08 -0.79 -1.18 2.79 1.13 -1.26 -4.74 117.38 118.41 1xqq n GLN 62 Ca -0.11 -2.22 -0.32 0.00 -1.94 0.00 0.00 57.00 52.40 1xqq n GLN 62 Cb 0.43 -1.05 0.11 0.00 0.11 0.00 0.00 30.24 29.84 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -5.48 1.91 -1.45 -1.09 -2.85 -1.26 -3.78 119.74 105.74 1xqq s LYS 63 Ca 0.69 1.43 0.00 0.00 -1.00 0.00 0.00 55.97 57.09 1xqq s LYS 63 Cb -0.03 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 1xqq s LYS 63 CO 0.47 -1.94 0.00 0.39 0.10 0.00 0.00 175.35 174.37 1xqq n GLU 64 N -3.45 -1.84 -2.44 1.78 1.02 0.78 -4.99 120.64 111.51 1xqq n GLU 64 Ca 0.11 0.82 -0.30 0.00 -0.02 0.00 0.00 57.16 57.76 1xqq n GLU 64 Cb 0.52 -5.36 -0.02 0.00 -0.02 0.00 0.00 31.44 26.56 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 -2.12 6.42 -0.54 1.62 0.01 -1.25 -4.85 113.70 113.00 1xqq s SER 65 Ca 0.00 1.28 -0.05 0.00 1.31 0.00 0.00 55.95 58.49 1xqq s SER 65 Cb 0.00 -2.39 0.14 0.00 0.21 0.00 0.00 66.02 63.98 1xqq s SER 65 CO 0.00 -0.61 0.37 -0.89 0.41 0.00 0.00 173.24 172.53 1xqq s THR 66 N -2.72 3.81 0.27 1.44 2.01 -1.26 -1.35 115.64 117.85 1xqq s THR 66 Ca 0.53 -2.41 -0.28 0.00 0.31 0.00 0.00 61.69 59.84 1xqq s THR 66 Cb -0.10 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1xqq s THR 66 CO 0.40 -0.81 0.94 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 67 N 0.61 4.53 -0.25 4.42 1.02 0.13 -4.79 118.68 124.35 1xqq s LEU 67 Ca 0.12 1.90 -0.01 0.00 0.02 0.00 0.00 54.13 56.16 1xqq s LEU 67 Cb -0.22 -3.75 0.03 0.00 0.02 0.00 0.00 46.19 42.28 1xqq s LEU 67 CO -0.03 0.08 -0.07 -1.00 0.02 0.00 0.00 176.35 175.34 1xqq s HIS 68 N -1.34 3.10 -0.34 0.29 3.76 -1.10 -0.39 115.29 119.28 1xqq s HIS 68 Ca 0.44 -1.74 -0.23 0.00 -0.15 0.00 0.00 55.06 53.38 1xqq s HIS 68 Cb -0.23 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1xqq s HIS 68 CO 0.29 -0.77 0.79 -1.17 -0.85 0.00 0.00 174.74 173.03 1xqq s LEU 69 N 1.27 4.10 0.19 0.89 2.96 -0.45 -2.20 118.68 125.45 1xqq s LEU 69 Ca -0.02 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1xqq s LEU 69 Cb -0.17 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1xqq s LEU 69 CO -0.05 -0.68 0.10 0.68 -1.32 0.00 0.00 176.35 175.07 1xqq s VAL 70 N 3.05 4.16 0.00 1.68 -7.23 -1.02 -2.60 120.40 118.44 1xqq s VAL 70 Ca 0.32 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1xqq s VAL 70 Cb -0.14 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1xqq s VAL 70 CO 0.15 -0.18 0.00 0.18 -0.31 0.00 0.00 175.10 174.94 1xqq n LEU 71 N -0.50 0.00 -4.03 1.32 4.77 -1.26 -2.75 117.00 114.55 1xqq n LEU 71 Ca -0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1xqq n LEU 71 Cb 0.56 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.50 1xqq n LEU 71 CO 0.42 0.00 -0.44 -0.60 -1.33 0.00 0.00 177.39 175.44 1xqq s ARG 72 N -0.64 0.78 -0.16 3.23 3.52 -1.15 -4.91 118.95 119.63 1xqq s ARG 72 Ca 0.00 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 1xqq s ARG 72 Cb 0.00 -0.76 -0.05 0.00 -1.56 0.00 0.00 34.95 32.59 1xqq s ARG 72 CO 0.00 0.20 1.83 -1.17 -0.81 0.00 0.00 175.30 175.35 1xqq s LEU 73 N -0.20 3.92 -0.26 -0.88 2.96 -1.26 -4.81 118.68 118.15 1xqq s LEU 73 Ca 0.03 1.92 -0.05 0.00 -0.22 0.00 0.00 54.13 55.81 1xqq s LEU 73 Cb -0.04 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.98 1xqq s LEU 73 CO -0.00 -1.37 -0.27 -1.14 -1.32 0.00 0.00 176.35 172.24 1xqq n ARG 74 N 7.87 0.59 0.00 1.98 0.63 -1.26 -5.07 116.66 121.40 1xqq n ARG 74 Ca 0.21 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 1xqq n ARG 74 Cb 0.44 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.88 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 1.87 -1.59 0.93 5.14 0.00 -1.26 -5.32 105.19 104.97 1xqq n GLY 75 Ca -0.48 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93