#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 4.18 0.09 3.17 0.00 -1.26 -1.77 119.66 124.07 1xqq s GLN 2 Ca 0.00 0.39 0.10 0.00 -0.00 0.00 0.00 55.36 55.85 1xqq s GLN 2 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 33.01 29.62 1xqq s GLN 2 CO 0.00 0.37 -0.24 0.96 0.00 0.00 0.00 175.29 176.38 1xqq s ILE 3 N -0.04 2.39 -0.19 3.63 -4.36 0.28 -0.36 121.20 122.55 1xqq s ILE 3 Ca 0.24 -1.55 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1xqq s ILE 3 Cb -0.15 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.49 1xqq s ILE 3 CO 0.11 0.20 0.26 -0.36 0.24 0.00 0.00 174.94 175.38 1xqq s PHE 4 N -0.99 3.41 -0.09 1.37 0.08 -0.87 -0.46 117.98 120.42 1xqq s PHE 4 Ca 0.14 0.48 0.04 0.00 0.12 0.00 0.00 56.93 57.71 1xqq s PHE 4 Cb -0.10 -2.33 -0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1xqq s PHE 4 CO 0.06 0.16 -0.22 0.08 -0.10 0.00 0.00 175.22 175.20 1xqq s VAL 5 N 0.73 2.30 0.20 -0.44 1.01 -0.85 -2.16 120.40 121.19 1xqq s VAL 5 Ca 0.14 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1xqq s VAL 5 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xqq s VAL 5 CO 0.04 0.56 0.16 -0.54 0.00 0.00 0.00 175.10 175.31 1xqq s LYS 6 N 0.18 2.90 0.57 2.72 -0.14 0.01 -1.67 119.74 124.33 1xqq s LYS 6 Ca -0.13 -0.95 0.09 0.00 -1.36 0.00 0.00 55.97 53.62 1xqq s LYS 6 Cb -0.16 -2.60 0.09 0.00 -1.68 0.00 0.00 37.83 33.47 1xqq s LYS 6 CO 0.07 0.45 0.79 0.95 -0.76 0.00 0.00 175.35 176.85 1xqq s THR 7 N -1.92 2.17 0.10 2.17 -4.23 -1.14 0.64 115.64 113.43 1xqq s THR 7 Ca 0.32 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1xqq s THR 7 Cb -0.09 -2.18 -0.23 0.00 1.34 0.00 0.00 72.50 71.34 1xqq s THR 7 CO 0.24 0.00 1.21 0.25 -0.54 0.00 0.00 174.62 175.78 1xqq h LEU 8 N 0.17 0.62 -1.19 4.79 5.85 -1.93 -2.27 115.31 121.35 1xqq h LEU 8 Ca -0.30 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 57.95 1xqq h LEU 8 Cb 1.29 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1xqq h LEU 8 CO 0.41 1.37 0.57 0.71 -0.34 0.00 0.00 178.44 181.16 1xqq h THR 9 N 0.22 1.02 0.00 1.05 1.35 -1.96 -3.48 112.91 111.11 1xqq h THR 9 Ca -0.12 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1xqq h THR 9 Cb 1.75 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1xqq h THR 9 CO 0.19 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1xqq n GLY 10 N -1.40 1.63 3.65 5.82 0.00 -0.85 -5.08 105.19 108.95 1xqq n GLY 10 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 4.22 -0.61 1.61 2.20 -1.26 -4.64 119.74 120.99 1xqq s LYS 11 Ca 0.00 1.25 -0.27 0.00 -0.36 0.00 0.00 55.97 56.59 1xqq s LYS 11 Cb 0.00 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1xqq s LYS 11 CO 0.00 -0.65 1.16 0.99 -0.36 0.00 0.00 175.35 176.49 1xqq s THR 12 N 3.21 4.02 0.02 3.43 2.01 -1.26 -2.87 115.64 124.20 1xqq s THR 12 Ca 0.43 0.65 -0.01 0.00 0.31 0.00 0.00 61.69 63.06 1xqq s THR 12 Cb -0.15 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 1xqq s THR 12 CO 0.08 -1.42 0.17 0.27 -0.69 0.00 0.00 174.62 173.02 1xqq s ILE 13 N 4.93 5.29 -0.44 1.82 -4.36 -0.67 -4.96 121.20 122.81 1xqq s ILE 13 Ca 0.38 -0.29 -0.05 0.00 -0.26 0.00 0.00 60.65 60.44 1xqq s ILE 13 Cb -0.09 -3.50 0.12 0.00 1.25 0.00 0.00 42.46 40.24 1xqq s ILE 13 CO 0.22 0.26 0.26 -0.89 0.24 0.00 0.00 174.94 175.03 1xqq s THR 14 N -1.37 3.58 -0.29 8.37 2.01 -1.26 -2.01 115.64 124.66 1xqq s THR 14 Ca 0.29 -2.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.12 1xqq s THR 14 Cb -0.13 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1xqq s THR 14 CO 0.21 -0.73 0.32 -0.76 -0.69 0.00 0.00 174.62 172.97 1xqq s LEU 15 N 1.14 4.15 -0.04 4.42 1.43 0.39 -4.89 118.68 125.27 1xqq s LEU 15 Ca 0.08 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 15 Cb -0.24 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1xqq s LEU 15 CO -0.03 -0.19 0.96 -0.70 0.23 0.00 0.00 176.35 176.61 1xqq s GLU 16 N 1.97 4.50 0.15 1.70 2.12 -1.26 -0.56 118.70 127.32 1xqq s GLU 16 Ca 0.12 1.34 -0.09 0.00 0.36 0.00 0.00 54.97 56.70 1xqq s GLU 16 Cb -0.16 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1xqq s GLU 16 CO 0.11 -0.13 0.28 0.14 -0.54 0.00 0.00 175.26 175.11 1xqq s VAL 17 N 1.34 0.08 -0.08 3.70 -7.23 -0.73 -4.96 120.40 112.51 1xqq s VAL 17 Ca 0.49 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1xqq s VAL 17 Cb -0.20 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1xqq s VAL 17 CO 0.23 -0.35 0.03 -1.61 -0.31 0.00 0.00 175.10 173.09 1xqq s GLU 18 N -3.95 3.04 0.00 4.82 0.41 -1.26 -0.56 118.70 121.20 1xqq s GLU 18 Ca 0.15 -0.39 0.29 0.00 -0.41 0.00 0.00 54.97 54.61 1xqq s GLU 18 Cb 0.03 -2.85 1.33 0.00 -1.78 0.00 0.00 34.13 30.87 1xqq s GLU 18 CO -0.02 0.71 1.94 -0.35 -0.49 0.00 0.00 175.26 177.04 1xqq n PRO 19 N 2.00 0.50 0.21 0.39 -0.04 -1.26 -1.44 135.00 135.35 1xqq n PRO 19 Ca -0.18 -0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.25 1xqq n PRO 19 Cb 0.54 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.96 1xqq n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xqq h SER 20 N 0.25 0.00 -3.79 3.54 4.64 -1.95 0.15 113.55 116.39 1xqq h SER 20 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1xqq h SER 20 Cb 0.34 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.61 1xqq h SER 20 CO 0.00 0.29 0.30 -1.81 -0.87 0.00 0.00 176.83 174.74 1xqq s ASP 21 N -6.42 2.13 0.56 4.97 1.01 -0.52 -4.86 116.67 113.53 1xqq s ASP 21 Ca -0.01 0.40 0.07 0.00 0.71 0.00 0.00 52.55 53.71 1xqq s ASP 21 Cb 0.12 -0.50 0.06 0.00 1.01 0.00 0.00 42.92 43.60 1xqq s ASP 21 CO 0.66 -3.36 0.53 0.42 0.21 0.00 0.00 175.17 173.63 1xqq s THR 22 N -3.53 1.78 0.22 -1.27 -4.23 -1.26 -1.98 115.64 105.38 1xqq s THR 22 Ca 0.73 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1xqq s THR 22 Cb -0.06 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1xqq s THR 22 CO 0.54 0.00 1.59 0.40 -0.54 0.00 0.00 174.62 176.61 1xqq h ILE 23 N 0.56 1.31 -0.72 2.99 1.08 -0.80 -2.76 117.51 119.16 1xqq h ILE 23 Ca -0.34 -1.62 0.13 0.00 -0.39 0.00 0.00 64.86 62.64 1xqq h ILE 23 Cb 1.30 1.62 -0.09 0.00 -3.07 0.00 0.00 36.82 36.58 1xqq h ILE 23 CO 0.52 0.50 0.29 -0.08 -0.69 0.00 0.00 178.15 178.69 1xqq h GLU 24 N 0.42 0.44 -0.42 2.37 4.81 -1.03 0.20 114.58 121.38 1xqq h GLU 24 Ca 0.03 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1xqq h GLU 24 Cb 0.93 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 1xqq h GLU 24 CO 0.08 0.29 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.64 1xqq h ASN 25 N 0.46 -0.27 -0.50 1.04 -0.73 -1.78 -2.21 115.58 111.59 1xqq h ASN 25 Ca 0.38 0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.62 1xqq h ASN 25 Cb 0.54 0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1xqq h ASN 25 CO -0.37 -0.09 0.15 0.58 -0.37 0.00 0.00 177.43 177.32 1xqq h VAL 26 N 0.05 1.23 -0.66 2.57 2.07 -0.95 -1.61 116.25 118.95 1xqq h VAL 26 Ca 0.20 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1xqq h VAL 26 Cb 0.30 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1xqq h VAL 26 CO -0.38 0.29 0.44 0.11 0.02 0.00 0.00 177.57 178.04 1xqq h LYS 27 N 0.67 0.65 0.00 1.57 1.57 -0.60 -0.42 116.57 120.02 1xqq h LYS 27 Ca 0.16 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1xqq h LYS 27 Cb 0.29 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xqq h LYS 27 CO -0.00 0.43 -0.29 0.00 -0.57 0.00 0.00 179.45 179.02 1xqq h ALA 28 N 1.64 1.09 0.00 3.86 0.00 -0.69 -1.13 119.26 124.03 1xqq h ALA 28 Ca 0.29 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1xqq h ALA 28 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xqq h ALA 28 CO -0.09 0.36 -0.56 0.87 0.00 0.00 0.00 179.25 179.83 1xqq h LYS 29 N 0.00 0.00 0.19 0.00 1.79 -0.19 -1.46 116.57 116.91 1xqq h LYS 29 Ca -0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1xqq h LYS 29 Cb 0.73 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1xqq h LYS 29 CO 0.04 0.56 -1.39 0.82 -1.08 0.00 0.00 179.45 178.39 1xqq h ILE 30 N 0.00 1.36 0.21 1.86 2.04 -1.18 -2.80 117.51 119.00 1xqq h ILE 30 Ca -0.01 -2.86 -0.01 0.00 1.00 0.00 0.00 64.86 62.98 1xqq h ILE 30 Cb 1.19 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 1xqq h ILE 30 CO 0.07 0.85 -0.10 -0.61 0.00 0.00 0.00 178.15 178.36 1xqq h GLN 31 N 0.11 -0.28 -0.64 2.37 -0.00 -1.16 0.17 115.11 115.68 1xqq h GLN 31 Ca -0.21 0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.57 1xqq h GLN 31 Cb 2.08 0.06 -0.08 0.00 0.00 0.00 0.00 27.48 29.54 1xqq h GLN 31 CO 0.24 -0.07 0.23 0.22 0.00 0.00 0.00 178.83 179.45 1xqq h ASP 32 N -0.44 0.21 0.00 -0.69 3.58 -1.37 -2.58 116.42 115.13 1xqq h ASP 32 Ca -0.03 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1xqq h ASP 32 Cb 0.34 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1xqq h ASP 32 CO 0.05 0.11 0.00 0.29 -2.88 0.00 0.00 179.24 176.81 1xqq n LYS 33 N -5.01 0.00 0.00 0.28 4.76 -1.06 -4.60 118.16 112.53 1xqq n LYS 33 Ca 0.10 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.62 1xqq n LYS 33 Cb 0.31 -0.06 0.36 0.00 -1.84 0.00 0.00 35.03 33.81 1xqq n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xqq n GLU 34 N 0.00 0.03 -2.14 1.97 -0.58 0.60 -4.88 120.64 115.65 1xqq n GLU 34 Ca 0.00 0.20 -0.03 0.00 -0.42 0.00 0.00 57.16 56.91 1xqq n GLU 34 Cb 0.00 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.20 0.37 2.92 0.62 0.00 -0.97 -5.04 105.19 103.28 1xqq n GLY 35 Ca 0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.07 1.41 0.56 -0.61 1.01 -1.24 -5.03 121.20 114.24 1xqq s ILE 36 Ca 0.02 -1.10 -0.21 0.00 0.00 0.00 0.00 60.65 59.36 1xqq s ILE 36 Cb -0.00 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1xqq s ILE 36 CO 0.13 -0.08 1.30 -2.65 0.00 0.00 0.00 174.94 173.64 1xqq n PRO 37 N 4.72 1.52 0.00 2.79 -0.02 -1.26 -4.06 135.00 138.69 1xqq n PRO 37 Ca -0.12 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1xqq n PRO 37 Cb 0.45 -2.51 0.51 0.00 -0.02 0.00 0.00 33.50 31.93 1xqq n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xqq n PRO 38 N -1.10 0.14 0.01 0.52 -0.04 -1.26 -3.34 135.00 129.93 1xqq n PRO 38 Ca 0.12 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.49 1xqq n PRO 38 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.92 0.42 3.54 3.32 -1.98 -3.13 116.42 119.51 1xqq h ASP 39 Ca 0.00 -0.68 -0.06 0.00 0.02 0.00 0.00 57.03 56.31 1xqq h ASP 39 Cb 0.31 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1xqq h ASP 39 CO 0.00 1.48 -0.28 1.56 -1.72 0.00 0.00 179.24 180.28 1xqq h GLN 40 N 0.46 0.00 -6.25 3.56 4.20 -1.84 -3.46 115.11 111.78 1xqq h GLN 40 Ca -0.10 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.05 1xqq h GLN 40 Cb 1.57 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 1xqq h GLN 40 CO 0.19 0.28 1.06 -0.65 -0.67 0.00 0.00 178.83 179.03 1xqq s GLN 41 N -4.17 4.01 -0.46 1.46 -0.21 -1.19 -2.47 119.66 116.64 1xqq s GLN 41 Ca -0.03 1.80 -0.04 0.00 0.02 0.00 0.00 55.36 57.11 1xqq s GLN 41 Cb 0.14 -3.95 0.12 0.00 1.00 0.00 0.00 33.01 30.32 1xqq s GLN 41 CO 0.68 -1.02 0.28 1.03 -2.12 0.00 0.00 175.29 174.13 1xqq s ARG 42 N 4.20 2.21 -0.22 2.91 0.52 0.10 -5.00 118.95 123.67 1xqq s ARG 42 Ca 0.68 -1.93 -0.19 0.00 -0.52 0.00 0.00 55.73 53.76 1xqq s ARG 42 Cb -0.26 -3.69 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 1xqq s ARG 42 CO 0.26 -1.12 0.56 -0.51 0.02 0.00 0.00 175.30 174.51 1xqq s LEU 43 N 0.98 4.11 0.01 2.53 1.43 -1.26 0.65 118.68 127.13 1xqq s LEU 43 Ca 0.09 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 1xqq s LEU 43 Cb -0.23 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1xqq s LEU 43 CO -0.03 -0.26 -0.10 -0.63 0.23 0.00 0.00 176.35 175.56 1xqq s ILE 44 N 2.00 3.42 -0.21 -0.59 -1.09 0.28 -0.55 121.20 124.47 1xqq s ILE 44 Ca 0.25 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1xqq s ILE 44 Cb -0.16 -2.48 0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1xqq s ILE 44 CO 0.09 0.38 -0.11 0.12 -1.23 0.00 0.00 174.94 174.20 1xqq s PHE 45 N -0.97 2.58 0.00 3.97 5.36 -0.10 0.02 117.98 128.84 1xqq s PHE 45 Ca 0.16 -1.72 0.00 0.00 -0.96 0.00 0.00 56.93 54.41 1xqq s PHE 45 Cb -0.11 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1xqq s PHE 45 CO 0.07 -0.77 0.00 0.00 -1.46 0.00 0.00 175.22 173.06 1xqq n ALA 46 N 4.64 0.00 -1.16 11.12 0.00 -1.26 -1.76 120.51 132.08 1xqq n ALA 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.78 3.86 0.00 0.00 -1.26 -5.10 105.19 100.91 1xqq n GLY 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.90 0.05 1.61 1.02 -0.72 -5.08 119.74 120.52 1xqq s LYS 48 Ca 0.00 0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.50 1xqq s LYS 48 Cb 0.00 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1xqq s LYS 48 CO 0.00 0.24 -0.04 -1.14 -0.92 0.00 0.00 175.35 173.49 1xqq s GLN 49 N -2.89 2.53 -0.12 1.68 0.74 -1.26 -0.92 119.66 119.42 1xqq s GLN 49 Ca 0.51 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 1xqq s GLN 49 Cb -0.11 -2.52 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 1xqq s GLN 49 CO 0.19 0.57 0.05 -0.51 -0.55 0.00 0.00 175.29 175.05 1xqq s LEU 50 N -1.84 3.86 0.21 3.68 1.43 0.29 -4.94 118.68 121.37 1xqq s LEU 50 Ca 0.21 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1xqq s LEU 50 Cb -0.11 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1xqq s LEU 50 CO 0.12 0.35 0.38 -0.70 0.23 0.00 0.00 176.35 176.73 1xqq s GLU 51 N -0.67 3.50 -0.01 1.70 2.56 -1.26 -4.71 118.70 119.81 1xqq s GLU 51 Ca 0.11 -0.42 -0.17 0.00 0.00 0.00 0.00 54.97 54.50 1xqq s GLU 51 Cb -0.12 -2.85 -0.09 0.00 2.00 0.00 0.00 34.13 33.07 1xqq s GLU 51 CO 0.02 0.40 0.78 -0.44 -0.56 0.00 0.00 175.26 175.47 1xqq h ASP 52 N 1.86 -0.52 -0.07 -1.70 3.32 -1.99 -3.33 116.42 113.99 1xqq h ASP 52 Ca -0.48 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1xqq h ASP 52 Cb 1.20 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 1xqq h ASP 52 CO 0.67 -0.17 -0.04 0.61 -1.72 0.00 0.00 179.24 178.59 1xqq n GLY 53 N 0.03 2.81 3.20 2.75 0.00 -1.26 -0.50 105.19 112.22 1xqq n GLY 53 Ca -0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 0.01 0.91 0.20 1.61 0.52 -1.25 -5.01 118.95 115.94 1xqq s ARG 54 Ca 0.19 -1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 54.07 1xqq s ARG 54 Cb 0.10 -0.68 -0.08 0.00 0.52 0.00 0.00 34.95 34.82 1xqq s ARG 54 CO -0.01 0.12 0.62 0.95 0.02 0.00 0.00 175.30 177.00 1xqq s THR 55 N -2.29 4.77 0.33 0.02 -4.23 -1.26 -2.06 115.64 110.92 1xqq s THR 55 Ca 0.06 0.90 0.05 0.00 -1.18 0.00 0.00 61.69 61.53 1xqq s THR 55 Cb -0.04 -3.73 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1xqq s THR 55 CO 0.01 0.13 1.87 -0.07 -0.54 0.00 0.00 174.62 176.02 1xqq h LEU 56 N 3.21 0.77 -0.11 4.79 3.38 -1.38 -2.09 115.31 123.87 1xqq h LEU 56 Ca -0.48 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.57 1xqq h LEU 56 Cb 1.19 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1xqq h LEU 56 CO 0.66 0.41 -0.33 -1.28 0.09 0.00 0.00 178.44 178.00 1xqq h SER 57 N 0.83 -1.01 -0.28 -0.43 0.87 -0.94 -1.76 113.55 110.82 1xqq h SER 57 Ca 0.45 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 61.20 1xqq h SER 57 Cb 0.57 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 1xqq h SER 57 CO -0.21 -0.37 0.01 -0.78 -0.53 0.00 0.00 176.83 174.95 1xqq h ASP 58 N -0.41 -0.09 0.38 6.23 1.82 -1.67 -0.84 116.42 121.83 1xqq h ASP 58 Ca 0.09 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1xqq h ASP 58 Cb 0.55 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1xqq h ASP 58 CO -0.34 -0.01 0.00 -1.22 -1.61 0.00 0.00 179.24 176.05 1xqq n TYR 59 N -5.15 0.00 -3.79 0.28 4.01 -0.99 -4.92 117.16 106.60 1xqq n TYR 59 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1xqq n TYR 59 Cb 0.14 -0.33 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 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 -1.33 -3.46 -4.66 7.72 3.02 -0.32 -4.97 115.26 111.26 1xqq n ASN 60 Ca 0.07 -0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 1xqq n ASN 60 Cb 0.15 -4.09 -0.02 0.00 -0.61 0.00 0.00 39.78 35.21 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 -3.45 4.69 0.42 2.41 -1.09 -0.70 -5.04 121.20 118.45 1xqq s ILE 61 Ca 0.38 2.03 0.08 0.00 -2.23 0.00 0.00 60.65 60.91 1xqq s ILE 61 Cb -0.19 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1xqq s ILE 61 CO 0.81 -0.16 0.47 -1.10 -1.23 0.00 0.00 174.94 173.74 1xqq s GLN 62 N 3.08 2.65 0.30 2.79 -1.52 -1.26 -4.66 119.66 121.04 1xqq s GLN 62 Ca 0.44 -1.42 -0.27 0.00 -1.95 0.00 0.00 55.36 52.17 1xqq s GLN 62 Cb -0.15 -2.55 -0.14 0.00 -0.22 0.00 0.00 33.01 29.94 1xqq s GLN 62 CO 0.07 -0.25 0.81 0.36 -0.25 0.00 0.00 175.29 176.03 1xqq n LYS 63 N -1.70 0.89 -1.40 2.91 2.85 -1.26 -2.62 118.16 117.83 1xqq n LYS 63 Ca 0.06 0.32 -0.12 0.00 -1.05 0.00 0.00 58.31 57.51 1xqq n LYS 63 Cb 0.61 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 33.34 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 0.74 -1.31 -1.56 -1.58 1.02 0.51 -4.99 120.64 113.47 1xqq n GLU 64 Ca 0.12 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.69 1xqq n GLU 64 Cb 0.32 -4.98 0.09 0.00 -0.02 0.00 0.00 31.44 26.85 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.06 4.44 -0.32 1.62 0.15 -1.08 -4.74 113.70 111.72 1xqq s SER 65 Ca 0.00 1.27 0.03 0.00 0.70 0.00 0.00 55.95 57.95 1xqq s SER 65 Cb 0.00 -1.99 0.09 0.00 -1.71 0.00 0.00 66.02 62.41 1xqq s SER 65 CO 0.00 -2.00 0.03 -0.89 1.20 0.00 0.00 173.24 171.59 1xqq s THR 66 N -3.18 1.97 0.43 6.45 2.01 -1.26 -2.05 115.64 120.02 1xqq s THR 66 Ca 0.61 -2.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.50 1xqq s THR 66 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1xqq s THR 66 CO 0.54 -0.52 0.77 -0.76 -0.69 0.00 0.00 174.62 173.96 1xqq s LEU 67 N 1.08 3.75 -0.19 4.42 1.02 -0.92 -4.73 118.68 123.12 1xqq s LEU 67 Ca 0.07 1.03 0.00 0.00 0.02 0.00 0.00 54.13 55.25 1xqq s LEU 67 Cb -0.19 -3.94 0.02 0.00 0.02 0.00 0.00 46.19 42.10 1xqq s LEU 67 CO -0.11 -0.47 -0.17 -2.28 0.02 0.00 0.00 176.35 173.34 1xqq s HIS 68 N -2.52 2.81 -0.66 0.29 2.46 0.10 -0.81 115.29 116.97 1xqq s HIS 68 Ca 0.49 -1.54 -0.20 0.00 0.47 0.00 0.00 55.06 54.28 1xqq s HIS 68 Cb -0.10 -1.95 0.10 0.00 -0.13 0.00 0.00 32.58 30.50 1xqq s HIS 68 CO 0.37 -0.77 0.83 -1.17 -2.47 0.00 0.00 174.74 171.53 1xqq s LEU 69 N 1.32 5.11 0.29 8.88 2.96 0.21 -0.56 118.68 136.89 1xqq s LEU 69 Ca 0.05 -1.43 -0.01 0.00 -0.22 0.00 0.00 54.13 52.52 1xqq s LEU 69 Cb -0.13 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1xqq s LEU 69 CO -0.11 -1.19 0.50 -0.69 -1.32 0.00 0.00 176.35 173.54 1xqq s VAL 70 N 2.99 5.11 -0.00 1.68 1.01 0.21 -3.19 120.40 128.20 1xqq s VAL 70 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1xqq s VAL 70 Cb -0.19 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1xqq s VAL 70 CO 0.05 -0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 173.96 1xqq s LEU 71 N -3.80 2.00 0.51 3.92 1.43 -1.26 0.02 118.68 121.50 1xqq s LEU 71 Ca 0.41 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1xqq s LEU 71 Cb -0.10 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.88 1xqq s LEU 71 CO 0.32 0.06 0.29 0.00 0.23 0.00 0.00 176.35 177.25 1xqq s ARG 72 N -0.10 2.25 0.00 1.70 1.70 -1.03 -4.97 118.95 118.50 1xqq s ARG 72 Ca 0.02 -2.05 0.00 0.00 -0.47 0.00 0.00 55.73 53.22 1xqq s ARG 72 Cb -0.02 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.39 1xqq s ARG 72 CO -0.00 -0.47 0.00 1.28 -1.08 0.00 0.00 175.30 175.02 1xqq n LEU 73 N -1.58 0.00 -4.90 -1.89 4.77 -1.26 -4.72 117.00 107.42 1xqq n LEU 73 Ca -0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1xqq n LEU 73 Cb 0.65 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1xqq n LEU 73 CO 0.40 -0.06 0.11 -0.13 -1.33 0.00 0.00 177.39 176.38 1xqq s ARG 74 N 1.36 3.62 0.00 3.23 1.81 -1.26 -4.62 118.95 123.09 1xqq s ARG 74 Ca 0.00 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 1xqq s ARG 74 Cb 0.00 -2.75 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 1xqq s ARG 74 CO 0.00 0.35 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1xqq n GLY 75 N -0.46 3.66 0.00 -3.53 0.00 -1.26 -5.23 105.19 98.37 1xqq n GLY 75 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93