#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 3.23 0.14 3.17 -0.21 -1.26 -0.74 119.66 123.98 1xqq s GLN 2 Ca 0.00 -0.54 0.05 0.00 0.02 0.00 0.00 55.36 54.89 1xqq s GLN 2 Cb 0.00 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1xqq s GLN 2 CO 0.00 0.59 -0.11 0.96 -2.12 0.00 0.00 175.29 174.62 1xqq s ILE 3 N -1.47 1.17 -0.03 1.08 -4.36 -0.71 -0.13 121.20 116.74 1xqq s ILE 3 Ca 0.33 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1xqq s ILE 3 Cb -0.13 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.78 1xqq s ILE 3 CO 0.26 -0.70 -0.07 -0.36 0.24 0.00 0.00 174.94 174.31 1xqq s PHE 4 N -3.12 2.90 -0.24 1.37 0.08 -0.54 -1.09 117.98 117.33 1xqq s PHE 4 Ca 0.15 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.12 1xqq s PHE 4 Cb 0.01 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1xqq s PHE 4 CO 0.01 0.34 0.02 0.08 -0.10 0.00 0.00 175.22 175.57 1xqq s VAL 5 N -0.89 3.93 -0.22 -0.44 1.01 0.11 -0.66 120.40 123.24 1xqq s VAL 5 Ca 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1xqq s VAL 5 Cb -0.11 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1xqq s VAL 5 CO 0.04 0.37 0.10 -0.75 0.00 0.00 0.00 175.10 174.86 1xqq s LYS 6 N 1.56 3.91 0.25 2.72 2.20 0.92 0.04 119.74 131.34 1xqq s LYS 6 Ca 0.06 -0.36 -0.14 0.00 -0.36 0.00 0.00 55.97 55.17 1xqq s LYS 6 Cb -0.15 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 1xqq s LYS 6 CO 0.01 0.06 0.65 0.95 -0.36 0.00 0.00 175.35 176.65 1xqq s THR 7 N 1.00 4.77 0.30 3.43 -4.23 -0.04 -0.24 115.64 120.62 1xqq s THR 7 Ca 0.05 0.84 0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1xqq s THR 7 Cb -0.14 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.33 1xqq s THR 7 CO 0.03 -0.01 1.77 0.25 -0.54 0.00 0.00 174.62 176.12 1xqq h LEU 8 N 2.75 0.76 0.06 4.79 5.85 -1.81 -3.05 115.31 124.67 1xqq h LEU 8 Ca -0.48 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1xqq h LEU 8 Cb 1.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1xqq h LEU 8 CO 0.66 0.27 -0.03 0.74 -0.34 0.00 0.00 178.44 179.74 1xqq h THR 9 N 0.75 1.09 0.00 1.05 2.02 -1.94 -3.47 112.91 112.41 1xqq h THR 9 Ca 0.57 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1xqq h THR 9 Cb 0.89 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1xqq h THR 9 CO -0.39 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.24 1xqq n GLY 10 N -0.50 -0.03 3.76 2.16 0.00 -1.15 -5.16 105.19 104.27 1xqq n GLY 10 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.34 -0.24 1.61 2.20 -1.26 -4.92 119.74 120.47 1xqq s LYS 11 Ca 0.00 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.23 1xqq s LYS 11 Cb 0.00 -3.03 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1xqq s LYS 11 CO 0.00 0.67 0.18 0.99 -0.36 0.00 0.00 175.35 176.83 1xqq s THR 12 N -0.75 5.35 -0.19 3.43 2.01 -1.26 -0.86 115.64 123.36 1xqq s THR 12 Ca 0.12 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1xqq s THR 12 Cb -0.12 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1xqq s THR 12 CO 0.03 0.33 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.47 1xqq s ILE 13 N 1.12 2.11 -0.26 1.82 1.01 0.11 -4.95 121.20 122.16 1xqq s ILE 13 Ca 0.08 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 1xqq s ILE 13 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1xqq s ILE 13 CO 0.05 0.50 0.93 -0.89 0.00 0.00 0.00 174.94 175.53 1xqq s THR 14 N 1.28 4.73 0.24 2.92 2.01 -1.26 -0.71 115.64 124.86 1xqq s THR 14 Ca 0.04 1.70 0.07 0.00 0.31 0.00 0.00 61.69 63.81 1xqq s THR 14 Cb -0.13 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1xqq s THR 14 CO -0.12 -0.19 0.18 -0.76 -0.69 0.00 0.00 174.62 173.03 1xqq s LEU 15 N 3.10 3.77 -0.15 4.42 1.43 -0.25 -4.96 118.68 126.03 1xqq s LEU 15 Ca 0.39 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1xqq s LEU 15 Cb -0.15 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1xqq s LEU 15 CO 0.09 -0.02 0.16 -1.61 0.23 0.00 0.00 176.35 175.19 1xqq s GLU 16 N -3.74 3.85 0.04 1.70 2.02 -1.26 -1.74 118.70 119.56 1xqq s GLU 16 Ca 0.32 -0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.18 1xqq s GLU 16 Cb -0.08 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1xqq s GLU 16 CO 0.24 0.53 -0.03 0.14 0.02 0.00 0.00 175.26 176.16 1xqq s VAL 17 N -0.32 0.21 0.17 2.63 -7.23 0.08 -4.95 120.40 111.00 1xqq s VAL 17 Ca 0.12 -1.48 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1xqq s VAL 17 Cb -0.12 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1xqq s VAL 17 CO 0.02 -0.80 0.37 -1.61 -0.31 0.00 0.00 175.10 172.76 1xqq s GLU 18 N -3.00 3.53 0.46 4.82 0.41 -1.26 -0.69 118.70 122.97 1xqq s GLU 18 Ca -0.01 -0.31 0.25 0.00 -0.41 0.00 0.00 54.97 54.49 1xqq s GLU 18 Cb 0.01 -2.86 1.02 0.00 -1.78 0.00 0.00 34.13 30.52 1xqq s GLU 18 CO -0.06 0.44 1.87 -1.35 -0.49 0.00 0.00 175.26 175.67 1xqq h PRO 19 N 2.28 0.00 0.00 0.39 0.11 -1.94 -3.11 132.00 129.73 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.70 0.21 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.48 1xqq n SER 20 N -3.44 0.66 -4.76 -2.05 3.41 -1.26 -0.54 113.62 105.64 1xqq n SER 20 Ca -0.00 0.49 -0.35 0.00 -0.26 0.00 0.00 58.87 58.75 1xqq n SER 20 Cb 0.39 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -4.21 5.25 0.48 4.04 1.01 -1.18 -4.81 116.67 117.26 1xqq s ASP 21 Ca 0.11 2.25 -0.17 0.00 0.71 0.00 0.00 52.55 55.45 1xqq s ASP 21 Cb 0.14 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.40 1xqq s ASP 21 CO 0.60 -1.54 0.95 0.42 0.21 0.00 0.00 175.17 175.81 1xqq s THR 22 N -1.81 4.53 0.42 -1.27 -4.23 -1.26 -1.69 115.64 110.32 1xqq s THR 22 Ca 0.74 1.22 0.23 0.00 -1.18 0.00 0.00 61.69 62.70 1xqq s THR 22 Cb -0.26 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.13 1xqq s THR 22 CO 0.34 -0.58 2.03 0.40 -0.54 0.00 0.00 174.62 176.26 1xqq h ILE 23 N 1.18 0.77 -0.86 2.99 1.08 -0.68 -1.19 117.51 120.81 1xqq h ILE 23 Ca -0.47 -0.62 0.22 0.00 -0.39 0.00 0.00 64.86 63.59 1xqq h ILE 23 Cb 1.18 1.37 -0.15 0.00 -3.07 0.00 0.00 36.82 36.15 1xqq h ILE 23 CO 0.62 0.15 0.06 -0.08 -0.69 0.00 0.00 178.15 178.21 1xqq h GLU 24 N 0.00 0.10 -0.33 2.37 4.81 -1.25 0.50 114.58 120.78 1xqq h GLU 24 Ca -0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1xqq h GLU 24 Cb 0.36 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xqq h GLU 24 CO 0.02 0.06 -0.36 -0.97 -0.73 0.00 0.00 179.01 177.03 1xqq h ASN 25 N 0.10 0.80 -0.21 1.04 -0.73 -1.60 -1.55 115.58 113.43 1xqq h ASN 25 Ca 0.50 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1xqq h ASN 25 Cb 0.96 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 1xqq h ASN 25 CO -0.74 1.08 0.08 0.58 -0.37 0.00 0.00 177.43 178.06 1xqq h VAL 26 N 0.63 1.17 -0.85 2.57 2.07 -0.07 -1.82 116.25 119.94 1xqq h VAL 26 Ca 0.06 -0.52 0.19 0.00 0.82 0.00 0.00 66.70 67.25 1xqq h VAL 26 Cb 0.91 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.69 1xqq h VAL 26 CO 0.08 0.17 0.36 0.11 0.02 0.00 0.00 177.57 178.31 1xqq h LYS 27 N 0.18 0.41 0.00 1.57 1.57 -0.01 -1.19 116.57 119.10 1xqq h LYS 27 Ca 0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1xqq h LYS 27 CO -0.00 0.27 -0.19 0.00 -0.57 0.00 0.00 179.45 178.96 1xqq h ALA 28 N 1.65 1.55 0.00 3.86 0.00 -0.98 0.27 119.26 125.61 1xqq h ALA 28 Ca 0.51 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 1xqq h ALA 28 Cb 0.90 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1xqq h ALA 28 CO -0.48 0.23 -1.15 0.87 0.00 0.00 0.00 179.25 178.72 1xqq h LYS 29 N 0.00 0.00 -0.21 0.00 1.57 -0.63 -1.79 116.57 115.51 1xqq h LYS 29 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1xqq h LYS 29 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xqq h LYS 29 CO 0.02 0.76 -0.50 0.82 -0.57 0.00 0.00 179.45 179.98 1xqq h ILE 30 N 0.00 1.31 -0.53 1.86 2.04 -0.90 -1.60 117.51 119.70 1xqq h ILE 30 Ca -0.09 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 1xqq h ILE 30 Cb 1.77 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 1xqq h ILE 30 CO 0.10 0.54 0.03 -0.61 0.00 0.00 0.00 178.15 178.22 1xqq h GLN 31 N 0.45 0.88 -0.19 2.37 4.15 -0.89 -1.20 115.11 120.67 1xqq h GLN 31 Ca 0.02 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.09 1xqq h GLN 31 Cb 1.04 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1xqq h GLN 31 CO 0.10 0.85 -0.34 0.22 -1.93 0.00 0.00 178.83 177.73 1xqq h ASP 32 N 0.82 0.63 0.00 -0.69 3.58 -1.22 -2.55 116.42 116.99 1xqq h ASP 32 Ca 0.16 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1xqq h ASP 32 Cb 0.44 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1xqq h ASP 32 CO 0.02 1.05 0.00 1.17 -2.88 0.00 0.00 179.24 178.60 1xqq n LYS 33 N -4.30 0.00 0.07 0.28 4.81 -0.61 -4.52 118.16 113.88 1xqq n LYS 33 Ca -0.06 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.53 1xqq n LYS 33 Cb 0.50 -0.92 -0.09 0.00 0.02 0.00 0.00 35.03 34.54 1xqq n LYS 33 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1xqq h GLU 34 N 0.00 0.00 -0.91 1.64 4.57 -1.41 -3.48 114.58 114.99 1xqq h GLU 34 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xqq h GLU 34 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xqq h GLU 34 CO 0.00 0.81 0.00 0.41 -1.18 0.00 0.00 179.01 179.05 1xqq n GLY 35 N 1.35 0.79 3.49 1.92 0.00 -0.96 -5.03 105.19 106.74 1xqq n GLY 35 Ca -0.02 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.55 4.47 0.55 -0.61 1.01 -1.25 -4.98 121.20 117.84 1xqq s ILE 36 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 1xqq s ILE 36 Cb 0.00 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1xqq s ILE 36 CO 0.00 0.35 1.15 -2.84 0.00 0.00 0.00 174.94 173.60 1xqq s PRO 37 N 1.43 3.28 0.43 2.79 0.02 -1.26 -3.93 135.00 137.76 1xqq s PRO 37 Ca 0.06 1.68 0.28 0.00 0.02 0.00 0.00 61.00 63.04 1xqq s PRO 37 Cb -0.15 -2.01 0.98 0.00 0.02 0.00 0.00 34.50 33.35 1xqq s PRO 37 CO 0.04 -0.93 1.82 -1.35 -0.33 0.00 0.00 177.00 176.25 1xqq h PRO 38 N 1.16 0.00 -0.08 5.54 0.11 -1.95 -3.00 132.00 133.79 1xqq h PRO 38 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1xqq h PRO 38 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 38 CO 0.57 0.00 -0.55 0.38 -0.21 0.00 0.00 178.00 178.19 1xqq h ASP 39 N 0.00 0.26 -0.14 -2.05 2.03 -1.98 -2.98 116.42 111.56 1xqq h ASP 39 Ca 0.00 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1xqq h ASP 39 Cb 0.63 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1xqq h ASP 39 CO 0.00 0.76 0.00 0.00 -1.03 0.00 0.00 179.24 178.97 1xqq n GLN 40 N -3.92 1.86 -3.08 4.15 1.13 -1.13 -4.67 117.38 111.71 1xqq n GLN 40 Ca -0.02 -1.28 -0.41 0.00 -1.94 0.00 0.00 57.00 53.36 1xqq n GLN 40 Cb 0.58 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 29.42 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1xqq s GLN 41 N -1.84 4.10 -0.05 -1.09 -0.21 -1.13 -1.31 119.66 118.13 1xqq s GLN 41 Ca 0.34 0.57 -0.02 0.00 0.02 0.00 0.00 55.36 56.27 1xqq s GLN 41 Cb 0.19 -3.66 0.03 0.00 1.00 0.00 0.00 33.01 30.58 1xqq s GLN 41 CO 0.29 -0.44 0.04 0.50 -2.12 0.00 0.00 175.29 173.57 1xqq s ARG 42 N 2.56 0.12 -0.14 2.91 3.52 -1.18 -4.70 118.95 122.04 1xqq s ARG 42 Ca 0.27 0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 56.08 1xqq s ARG 42 Cb -0.15 -0.69 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1xqq s ARG 42 CO 0.09 -0.34 0.11 -0.51 -0.81 0.00 0.00 175.30 173.85 1xqq s LEU 43 N 2.11 4.20 -0.14 -0.88 1.43 -1.26 -0.52 118.68 123.62 1xqq s LEU 43 Ca 0.05 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1xqq s LEU 43 Cb -0.12 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1xqq s LEU 43 CO -0.04 0.33 -0.13 -0.63 0.23 0.00 0.00 176.35 176.11 1xqq s ILE 44 N -0.56 2.96 -0.32 -0.59 1.01 0.68 -1.79 121.20 122.58 1xqq s ILE 44 Ca 0.12 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1xqq s ILE 44 Cb -0.12 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.17 1xqq s ILE 44 CO 0.02 0.51 0.03 0.12 0.00 0.00 0.00 174.94 175.63 1xqq s PHE 45 N 0.58 3.43 0.00 3.97 5.36 -1.00 -0.64 117.98 129.68 1xqq s PHE 45 Ca -0.08 -2.28 0.00 0.00 -0.96 0.00 0.00 56.93 53.61 1xqq s PHE 45 Cb -0.16 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.06 1xqq s PHE 45 CO 0.03 -0.88 0.00 0.00 -1.46 0.00 0.00 175.22 172.91 1xqq n ALA 46 N 4.51 0.00 0.00 11.12 0.00 -1.26 -2.40 120.51 132.48 1xqq n ALA 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xqq n ALA 46 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.60 3.85 0.00 0.00 -1.26 -5.09 105.19 103.29 1xqq n GLY 47 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.26 3.30 0.02 1.61 -2.85 -1.01 -5.05 119.74 115.50 1xqq s LYS 48 Ca 0.00 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.32 1xqq s LYS 48 Cb 0.00 -3.02 -0.07 0.00 -2.06 0.00 0.00 37.83 32.68 1xqq s LYS 48 CO 0.00 0.68 1.66 1.14 0.10 0.00 0.00 175.35 178.93 1xqq s GLN 49 N -1.68 4.19 -0.03 1.78 -2.07 -1.26 -2.36 119.66 118.23 1xqq s GLN 49 Ca 0.23 2.28 -0.14 0.00 -1.82 0.00 0.00 55.36 55.92 1xqq s GLN 49 Cb -0.12 -3.76 -0.05 0.00 -1.09 0.00 0.00 33.01 27.98 1xqq s GLN 49 CO 0.14 -0.77 0.36 -0.51 -1.32 0.00 0.00 175.29 173.19 1xqq s LEU 50 N 3.19 4.45 0.86 2.60 1.43 -0.74 -4.99 118.68 125.47 1xqq s LEU 50 Ca 0.74 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1xqq s LEU 50 Cb -0.37 -2.50 0.16 0.00 0.03 0.00 0.00 46.19 43.50 1xqq s LEU 50 CO 0.32 0.32 1.19 -1.83 0.23 0.00 0.00 176.35 176.58 1xqq s GLU 51 N -0.96 1.17 -0.22 1.70 -1.05 -1.26 -4.70 118.70 113.39 1xqq s GLU 51 Ca 0.22 -0.56 -0.16 0.00 -0.15 0.00 0.00 54.97 54.32 1xqq s GLU 51 Cb -0.16 -2.02 -0.12 0.00 -0.44 0.00 0.00 34.13 31.39 1xqq s GLU 51 CO 0.11 -1.97 -0.15 -0.25 0.95 0.00 0.00 175.26 173.95 1xqq n ASP 52 N -3.39 1.90 -2.53 0.83 9.92 -1.26 -4.53 116.55 117.49 1xqq n ASP 52 Ca 0.14 0.41 -0.24 0.00 -0.53 0.00 0.00 54.79 54.57 1xqq n ASP 52 Cb 0.60 -0.86 -0.10 0.00 -0.64 0.00 0.00 41.12 40.12 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 1.40 3.80 3.04 0.44 0.00 -1.26 -0.84 105.19 111.77 1xqq n GLY 53 Ca -0.33 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 1xqq n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xqq s ARG 54 N 0.37 0.87 0.50 1.61 3.52 -1.26 -4.96 118.95 119.59 1xqq s ARG 54 Ca 0.64 -0.36 -0.20 0.00 -0.13 0.00 0.00 55.73 55.69 1xqq s ARG 54 Cb 0.29 -0.83 -0.08 0.00 -1.56 0.00 0.00 34.95 32.77 1xqq s ARG 54 CO -0.07 0.21 1.03 0.95 -0.81 0.00 0.00 175.30 176.60 1xqq s THR 55 N -0.17 3.85 0.46 4.11 -4.23 -1.26 -2.24 115.64 116.16 1xqq s THR 55 Ca 0.03 1.11 0.22 0.00 -1.18 0.00 0.00 61.69 61.87 1xqq s THR 55 Cb -0.05 -3.46 0.42 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 55 CO -0.00 -0.29 1.86 -0.07 -0.54 0.00 0.00 174.62 175.57 1xqq h LEU 56 N 1.41 0.27 -0.00 4.79 3.38 -1.28 -1.19 115.31 122.69 1xqq h LEU 56 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xqq h LEU 56 Cb 1.22 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xqq h LEU 56 CO 0.59 0.10 -0.00 -1.28 0.09 0.00 0.00 178.44 177.94 1xqq h SER 57 N 0.27 -0.01 0.56 -0.43 0.87 -1.09 -0.13 113.55 113.59 1xqq h SER 57 Ca 0.46 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.74 1xqq h SER 57 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.31 1xqq h SER 57 CO -0.13 -0.01 -1.52 -0.78 -0.53 0.00 0.00 176.83 173.86 1xqq h ASP 58 N -0.01 0.16 0.01 6.23 3.58 -1.58 -1.15 116.42 123.66 1xqq h ASP 58 Ca 0.00 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 1xqq h ASP 58 Cb 0.01 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 1xqq h ASP 58 CO -0.00 1.21 -0.00 1.88 -2.88 0.00 0.00 179.24 179.44 1xqq h TYR 59 N 0.03 0.00 -4.22 0.28 0.05 -1.35 -3.47 116.97 108.29 1xqq h TYR 59 Ca -0.22 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.39 1xqq h TYR 59 Cb 1.96 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.81 1xqq h TYR 59 CO 0.03 0.00 -0.46 0.09 -1.05 0.00 0.00 178.16 176.77 1xqq n ASN 60 N -3.87 -3.22 -4.73 3.88 3.02 -0.44 -5.03 115.26 104.87 1xqq n ASN 60 Ca -0.03 -0.38 -0.38 0.00 -0.03 0.00 0.00 54.58 53.76 1xqq n ASN 60 Cb 0.09 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.05 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 -3.21 5.09 0.09 2.41 -1.09 -0.13 -5.03 121.20 119.33 1xqq s ILE 61 Ca 0.12 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 59.67 1xqq s ILE 61 Cb -0.02 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1xqq s ILE 61 CO 0.42 0.34 0.08 0.00 -1.23 0.00 0.00 174.94 174.55 1xqq n GLN 62 N 3.43 1.27 -2.57 2.79 10.64 -1.26 -4.70 117.38 126.99 1xqq n GLN 62 Ca -0.06 -0.58 -0.41 0.00 -1.83 0.00 0.00 57.00 54.12 1xqq n GLN 62 Cb 0.51 0.04 -0.04 0.00 -0.86 0.00 0.00 30.24 29.90 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1xqq s LYS 63 N -2.40 4.61 -1.42 2.61 2.20 -1.26 -3.24 119.74 120.83 1xqq s LYS 63 Ca 0.06 1.64 -0.06 0.00 -0.36 0.00 0.00 55.97 57.25 1xqq s LYS 63 Cb -0.00 -3.32 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1xqq s LYS 63 CO 0.04 0.08 0.81 0.39 -0.36 0.00 0.00 175.35 176.31 1xqq n GLU 64 N 2.66 -5.05 -3.58 4.03 1.02 0.81 -4.98 120.64 115.55 1xqq n GLU 64 Ca 0.03 0.59 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 1xqq n GLU 64 Cb 0.47 -5.27 -0.06 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 -3.88 6.71 -0.26 1.62 0.01 -1.20 -4.79 113.70 111.91 1xqq s SER 65 Ca 0.31 0.84 -0.12 0.00 1.31 0.00 0.00 55.95 58.29 1xqq s SER 65 Cb -0.15 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1xqq s SER 65 CO 0.83 0.33 0.23 -0.89 0.41 0.00 0.00 173.24 174.15 1xqq s THR 66 N -1.00 5.30 0.05 1.44 2.01 -1.26 -1.47 115.64 120.70 1xqq s THR 66 Ca 0.22 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 1xqq s THR 66 Cb -0.16 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1xqq s THR 66 CO 0.11 0.27 0.27 -0.76 -0.69 0.00 0.00 174.62 173.82 1xqq s LEU 67 N 1.49 4.34 -0.20 4.42 1.02 0.16 -4.81 118.68 125.10 1xqq s LEU 67 Ca 0.10 0.46 -0.08 0.00 0.02 0.00 0.00 54.13 54.63 1xqq s LEU 67 Cb -0.15 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.14 1xqq s LEU 67 CO 0.08 0.19 0.07 -2.28 0.02 0.00 0.00 176.35 174.43 1xqq s HIS 68 N -1.44 3.22 -0.06 0.29 2.46 0.19 -0.05 115.29 119.89 1xqq s HIS 68 Ca 0.32 -0.01 -0.20 0.00 0.47 0.00 0.00 55.06 55.64 1xqq s HIS 68 Cb -0.13 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.15 1xqq s HIS 68 CO 0.21 0.04 0.55 -1.17 -2.47 0.00 0.00 174.74 171.90 1xqq s LEU 69 N 0.69 4.35 0.00 8.88 2.96 0.67 -0.23 118.68 136.00 1xqq s LEU 69 Ca 0.04 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1xqq s LEU 69 Cb -0.13 -2.83 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 1xqq s LEU 69 CO 0.02 0.04 0.02 1.33 -1.32 0.00 0.00 176.35 176.44 1xqq n VAL 70 N 3.21 0.00 -3.09 1.68 0.24 0.32 -2.40 118.33 118.29 1xqq n VAL 70 Ca -0.07 -1.60 -0.39 0.00 -2.04 0.00 0.00 64.34 60.24 1xqq n VAL 70 Cb 0.51 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.44 -0.33 1.34 2.96 -1.26 -3.10 118.68 122.74 1xqq s LEU 71 Ca 0.03 1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 55.05 1xqq s LEU 71 Cb 0.00 -3.08 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 1xqq s LEU 71 CO 0.02 0.07 0.67 -0.60 -1.32 0.00 0.00 176.35 175.19 1xqq s ARG 72 N -0.20 3.82 0.42 1.98 3.52 -0.42 -4.77 118.95 123.29 1xqq s ARG 72 Ca 0.35 0.26 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1xqq s ARG 72 Cb -0.20 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 1xqq s ARG 72 CO 0.20 -0.67 0.59 -0.51 -0.81 0.00 0.00 175.30 174.10 1xqq s LEU 73 N 2.74 3.71 -0.05 -0.88 1.43 -1.26 -4.66 118.68 119.71 1xqq s LEU 73 Ca 0.27 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1xqq s LEU 73 Cb -0.14 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1xqq s LEU 73 CO 0.13 -0.69 0.67 -0.13 0.23 0.00 0.00 176.35 176.56 1xqq s ARG 74 N -4.39 4.41 0.00 1.70 1.81 -1.26 -3.82 118.95 117.40 1xqq s ARG 74 Ca 0.50 0.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.35 1xqq s ARG 74 Cb -0.10 -3.42 0.00 0.00 -0.45 0.00 0.00 34.95 30.98 1xqq s ARG 74 CO 0.34 0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.52 1xqq n GLY 75 N 2.94 3.11 0.00 -3.53 0.00 -1.26 -5.33 105.19 101.12 1xqq n GLY 75 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93