#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 4.28 0.34 3.17 -2.07 -1.26 -0.51 119.66 123.62 1xqq s GLN 2 Ca 0.00 0.60 0.09 0.00 -1.82 0.00 0.00 55.36 54.23 1xqq s GLN 2 Cb 0.00 -3.37 -0.06 0.00 -1.09 0.00 0.00 33.01 28.49 1xqq s GLN 2 CO 0.00 0.31 -0.04 0.96 -1.32 0.00 0.00 175.29 175.20 1xqq s ILE 3 N 0.05 2.43 -0.13 3.63 -4.36 -0.26 -0.78 121.20 121.80 1xqq s ILE 3 Ca 0.29 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.61 1xqq s ILE 3 Cb -0.17 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1xqq s ILE 3 CO 0.14 -0.20 -0.22 -0.36 0.24 0.00 0.00 174.94 174.55 1xqq s PHE 4 N -2.56 2.65 -0.06 1.37 0.08 -0.18 -0.42 117.98 118.84 1xqq s PHE 4 Ca 0.34 -1.16 0.03 0.00 0.12 0.00 0.00 56.93 56.25 1xqq s PHE 4 Cb 0.01 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1xqq s PHE 4 CO 0.18 -0.50 -0.13 0.08 -0.10 0.00 0.00 175.22 174.75 1xqq s VAL 5 N 0.60 3.17 -0.06 -0.44 1.01 0.12 -1.66 120.40 123.16 1xqq s VAL 5 Ca -0.12 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1xqq s VAL 5 Cb -0.16 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 1xqq s VAL 5 CO 0.03 0.59 -0.18 -0.54 0.00 0.00 0.00 175.10 175.00 1xqq s LYS 6 N -0.65 1.99 0.89 2.72 -0.14 -0.18 -1.39 119.74 122.98 1xqq s LYS 6 Ca 0.10 -0.63 -0.13 0.00 -1.36 0.00 0.00 55.97 53.94 1xqq s LYS 6 Cb -0.11 -1.67 0.13 0.00 -1.68 0.00 0.00 37.83 34.50 1xqq s LYS 6 CO 0.01 0.21 1.19 0.95 -0.76 0.00 0.00 175.35 176.95 1xqq s THR 7 N 0.18 1.98 -0.19 2.17 -4.23 -1.19 0.19 115.64 114.55 1xqq s THR 7 Ca -0.08 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.60 1xqq s THR 7 Cb -0.13 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.93 1xqq s THR 7 CO 0.03 0.00 1.50 0.25 -0.54 0.00 0.00 174.62 175.87 1xqq h LEU 8 N -1.37 0.00 0.01 4.79 5.85 -1.91 -3.29 115.31 119.39 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 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1xqq h LEU 8 CO 0.58 0.39 -0.01 0.71 -0.34 0.00 0.00 178.44 179.78 1xqq h THR 9 N 0.00 0.00 0.00 1.05 1.35 -1.94 -3.50 112.91 109.87 1xqq h THR 9 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1xqq h THR 9 Cb 1.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xqq h THR 9 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1xqq n GLY 10 N 1.56 -0.99 3.79 5.82 0.00 -1.24 -5.14 105.19 108.99 1xqq n GLY 10 Ca -0.00 0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 3.88 -0.23 1.61 2.20 -1.26 -4.96 119.74 120.98 1xqq s LYS 11 Ca 0.00 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 1xqq s LYS 11 Cb 0.00 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1xqq s LYS 11 CO 0.00 0.50 1.04 0.99 -0.36 0.00 0.00 175.35 177.52 1xqq s THR 12 N -0.23 4.68 -0.47 3.43 2.01 -1.26 -3.18 115.64 120.61 1xqq s THR 12 Ca 0.11 2.02 -0.00 0.00 0.31 0.00 0.00 61.69 64.13 1xqq s THR 12 Cb -0.12 -4.31 0.13 0.00 0.01 0.00 0.00 72.50 68.21 1xqq s THR 12 CO 0.01 -0.19 0.25 -0.63 -0.69 0.00 0.00 174.62 173.37 1xqq s ILE 13 N 3.21 3.08 -0.66 1.82 1.01 -0.48 -4.98 121.20 124.19 1xqq s ILE 13 Ca 0.44 -2.58 -0.21 0.00 0.00 0.00 0.00 60.65 58.29 1xqq s ILE 13 Cb -0.15 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.29 1xqq s ILE 13 CO 0.06 -0.74 0.91 -0.89 0.00 0.00 0.00 174.94 174.28 1xqq s THR 14 N 0.51 4.48 0.06 2.92 2.01 -1.26 -0.70 115.64 123.66 1xqq s THR 14 Ca 0.13 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1xqq s THR 14 Cb -0.22 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 1xqq s THR 14 CO -0.04 -1.38 0.10 -0.76 -0.69 0.00 0.00 174.62 171.84 1xqq s LEU 15 N 3.62 3.90 -0.21 4.42 1.43 0.44 -4.94 118.68 127.34 1xqq s LEU 15 Ca 0.20 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1xqq s LEU 15 Cb -0.18 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1xqq s LEU 15 CO 0.08 0.19 0.02 -1.61 0.23 0.00 0.00 176.35 175.25 1xqq s GLU 16 N -2.28 3.62 0.14 1.70 2.02 -1.26 -1.10 118.70 121.55 1xqq s GLU 16 Ca 0.29 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.79 1xqq s GLU 16 Cb -0.12 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1xqq s GLU 16 CO 0.21 -0.04 -0.03 0.14 0.02 0.00 0.00 175.26 175.56 1xqq s VAL 17 N 1.17 0.68 0.34 2.63 -7.23 0.34 -4.91 120.40 113.42 1xqq s VAL 17 Ca 0.03 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1xqq s VAL 17 Cb -0.14 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1xqq s VAL 17 CO 0.02 -0.64 0.42 -1.61 -0.31 0.00 0.00 175.10 172.98 1xqq s GLU 18 N -3.88 3.01 0.55 4.82 2.02 -1.26 -0.66 118.70 123.30 1xqq s GLU 18 Ca 0.19 -1.09 0.31 0.00 0.02 0.00 0.00 54.97 54.39 1xqq s GLU 18 Cb 0.06 -2.73 1.63 0.00 0.10 0.00 0.00 34.13 33.19 1xqq s GLU 18 CO 0.00 0.06 2.13 -1.35 0.02 0.00 0.00 175.26 176.13 1xqq h PRO 19 N 0.98 0.00 -0.10 0.39 0.11 -1.96 -2.48 132.00 128.94 1xqq h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 19 CO 0.54 0.08 0.00 0.43 -0.21 0.00 0.00 178.00 178.84 1xqq n SER 20 N -3.53 1.27 -4.85 -2.05 7.64 -1.26 -1.61 113.62 109.22 1xqq n SER 20 Ca -0.02 -1.58 -0.33 0.00 1.01 0.00 0.00 58.87 57.95 1xqq n SER 20 Cb 0.20 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.69 6.76 0.57 6.43 1.11 -0.94 -4.84 116.67 124.08 1xqq s ASP 21 Ca 0.34 1.11 -0.00 0.00 0.18 0.00 0.00 52.55 54.17 1xqq s ASP 21 Cb 0.18 -2.30 0.03 0.00 1.07 0.00 0.00 42.92 41.90 1xqq s ASP 21 CO 0.28 -0.05 0.81 0.42 1.18 0.00 0.00 175.17 177.81 1xqq s THR 22 N -1.73 2.72 0.22 -1.27 -4.23 -1.26 -2.01 115.64 108.07 1xqq s THR 22 Ca 0.46 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1xqq s THR 22 Cb -0.13 -3.05 0.26 0.00 1.34 0.00 0.00 72.50 70.93 1xqq s THR 22 CO 0.20 -0.04 1.62 0.40 -0.54 0.00 0.00 174.62 176.26 1xqq h ILE 23 N -0.03 0.33 -0.96 2.99 1.08 -1.58 -0.95 117.51 118.39 1xqq h ILE 23 Ca -0.43 -0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.35 1xqq h ILE 23 Cb 1.30 0.33 -0.16 0.00 -3.07 0.00 0.00 36.82 35.21 1xqq h ILE 23 CO 0.54 0.00 0.31 -0.08 -0.69 0.00 0.00 178.15 178.23 1xqq h GLU 24 N 0.01 0.11 -0.01 2.37 4.81 -1.63 0.23 114.58 120.47 1xqq h GLU 24 Ca 0.33 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1xqq h GLU 24 Cb 0.50 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xqq h GLU 24 CO -0.68 0.08 -0.46 -0.91 -0.73 0.00 0.00 179.01 176.30 1xqq h ASN 25 N 0.12 0.03 0.56 1.04 -0.26 -1.49 -2.14 115.58 113.44 1xqq h ASN 25 Ca 0.67 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.37 1xqq h ASN 25 Cb 1.52 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.78 1xqq h ASN 25 CO -0.75 0.49 -0.31 0.58 -1.06 0.00 0.00 177.43 176.37 1xqq h VAL 26 N 0.03 0.36 -0.72 2.81 2.07 -0.36 -2.20 116.25 118.24 1xqq h VAL 26 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1xqq h VAL 26 Cb 0.82 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 1xqq h VAL 26 CO 0.06 0.00 0.15 0.11 0.02 0.00 0.00 177.57 177.91 1xqq h LYS 27 N -0.81 0.24 -0.27 1.57 1.57 -1.29 -2.06 116.57 115.51 1xqq h LYS 27 Ca -0.07 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1xqq h LYS 27 Cb 0.65 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xqq h LYS 27 CO 0.09 0.16 -0.42 0.00 -0.57 0.00 0.00 179.45 178.71 1xqq h ALA 28 N 1.61 0.76 -0.18 3.86 0.00 -1.33 -1.32 119.26 122.66 1xqq h ALA 28 Ca 0.40 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xqq h ALA 28 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xqq h ALA 28 CO -0.52 0.66 -0.37 0.87 0.00 0.00 0.00 179.25 179.89 1xqq h LYS 29 N 0.54 0.38 -0.25 0.00 1.57 -1.06 0.73 116.57 118.47 1xqq h LYS 29 Ca 0.04 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1xqq h LYS 29 Cb 0.95 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xqq h LYS 29 CO 0.09 0.70 -0.33 0.82 -0.57 0.00 0.00 179.45 180.16 1xqq h ILE 30 N 0.32 1.31 -0.75 1.86 2.04 -1.27 -2.98 117.51 118.04 1xqq h ILE 30 Ca 0.03 -1.52 0.08 0.00 1.00 0.00 0.00 64.86 64.46 1xqq h ILE 30 Cb 0.80 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 1xqq h ILE 30 CO 0.06 0.48 0.42 -0.61 0.00 0.00 0.00 178.15 178.50 1xqq h GLN 31 N 0.39 0.71 -0.03 2.37 4.15 -1.20 -0.99 115.11 120.51 1xqq h GLN 31 Ca 0.03 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1xqq h GLN 31 Cb 0.91 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1xqq h GLN 31 CO 0.08 0.47 -0.15 0.22 -1.93 0.00 0.00 178.83 177.52 1xqq h ASP 32 N 0.73 -0.46 0.03 -0.69 3.58 -0.70 -3.22 116.42 115.68 1xqq h ASP 32 Ca 0.35 0.05 -0.34 0.00 0.42 0.00 0.00 57.03 57.51 1xqq h ASP 32 Cb 0.29 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 1xqq h ASP 32 CO -0.22 -0.13 -1.92 0.29 -2.88 0.00 0.00 179.24 174.37 1xqq n LYS 33 N -3.33 0.62 0.08 0.28 4.76 -1.16 -4.58 118.16 114.83 1xqq n LYS 33 Ca -0.02 0.37 -0.05 0.00 -2.87 0.00 0.00 58.31 55.75 1xqq n LYS 33 Cb 0.10 -1.64 0.14 0.00 -1.84 0.00 0.00 35.03 31.79 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1xqq h GLU 34 N -0.65 0.28 0.00 1.97 4.39 -1.38 -3.47 114.58 115.71 1xqq h GLU 34 Ca -0.49 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1xqq h GLU 34 Cb 1.62 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1xqq h GLU 34 CO -0.19 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 1xqq n GLY 35 N 0.13 0.72 3.61 -3.84 0.00 -1.03 -5.03 105.19 99.75 1xqq n GLY 35 Ca -0.02 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 5.31 0.73 -0.61 1.01 -1.25 -5.00 121.20 119.39 1xqq s ILE 36 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1xqq s ILE 36 Cb 0.00 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.97 1xqq s ILE 36 CO 0.00 0.27 1.12 -2.84 0.00 0.00 0.00 174.94 173.49 1xqq s PRO 37 N 1.59 2.41 0.28 2.79 0.02 -1.26 -3.44 135.00 137.38 1xqq s PRO 37 Ca 0.08 1.36 0.13 0.00 0.02 0.00 0.00 61.00 62.58 1xqq s PRO 37 Cb -0.15 -1.90 0.34 0.00 0.02 0.00 0.00 34.50 32.81 1xqq s PRO 37 CO 0.09 -1.55 1.58 -1.00 -0.33 0.00 0.00 177.00 175.80 1xqq h PRO 38 N -0.56 0.00 -0.05 5.54 0.13 -1.92 -2.79 132.00 132.36 1xqq h PRO 38 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1xqq h PRO 38 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1xqq h PRO 38 CO 0.52 0.60 -0.52 0.38 -0.23 0.00 0.00 178.00 178.74 1xqq h ASP 39 N 0.00 0.14 1.01 1.44 2.03 -1.99 -3.28 116.42 115.77 1xqq h ASP 39 Ca -0.01 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1xqq h ASP 39 Cb 1.16 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1xqq h ASP 39 CO 0.08 0.64 0.00 -0.61 -1.03 0.00 0.00 179.24 178.32 1xqq h GLN 40 N 0.10 0.00 -6.16 4.15 4.15 -1.79 -3.41 115.11 112.15 1xqq h GLN 40 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.82 1xqq h GLN 40 Cb 0.96 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.53 1xqq h GLN 40 CO 0.08 0.00 -0.71 1.14 -1.93 0.00 0.00 178.83 177.40 1xqq s GLN 41 N -3.33 1.86 -0.02 1.69 -2.07 -1.24 -1.06 119.66 115.50 1xqq s GLN 41 Ca 0.05 -1.71 0.01 0.00 -1.82 0.00 0.00 55.36 51.88 1xqq s GLN 41 Cb 0.10 -1.86 0.02 0.00 -1.09 0.00 0.00 33.01 30.17 1xqq s GLN 41 CO 0.48 0.30 -0.01 0.50 -1.32 0.00 0.00 175.29 175.24 1xqq s ARG 42 N -3.58 0.24 -0.17 9.60 3.52 -0.34 -4.39 118.95 123.83 1xqq s ARG 42 Ca 0.31 0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 55.80 1xqq s ARG 42 Cb -0.04 -0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 32.95 1xqq s ARG 42 CO 0.17 -0.07 0.29 -0.51 -0.81 0.00 0.00 175.30 174.37 1xqq s LEU 43 N 0.62 4.23 -0.09 -0.88 1.43 -1.26 -2.04 118.68 120.69 1xqq s LEU 43 Ca -0.06 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1xqq s LEU 43 Cb -0.09 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1xqq s LEU 43 CO -0.01 0.09 -0.17 -0.63 0.23 0.00 0.00 176.35 175.86 1xqq s ILE 44 N 0.52 2.73 -0.25 -0.59 -1.09 0.51 -0.99 121.20 122.04 1xqq s ILE 44 Ca 0.16 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1xqq s ILE 44 Cb -0.13 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1xqq s ILE 44 CO 0.04 0.55 -0.04 0.12 -1.23 0.00 0.00 174.94 174.38 1xqq s PHE 45 N -0.03 3.07 0.00 3.97 5.36 -0.45 -1.09 117.98 128.81 1xqq s PHE 45 Ca -0.05 -1.47 0.00 0.00 -0.96 0.00 0.00 56.93 54.46 1xqq s PHE 45 Cb -0.14 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1xqq s PHE 45 CO 0.04 -0.70 0.00 0.00 -1.46 0.00 0.00 175.22 173.10 1xqq n ALA 46 N 4.70 0.00 -0.05 11.12 0.00 -1.26 -1.38 120.51 133.63 1xqq n ALA 46 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1xqq n ALA 46 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.65 3.77 0.00 0.00 -1.26 -5.01 105.19 102.04 1xqq n GLY 47 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.55 2.92 -0.11 1.61 -2.85 -0.48 -5.10 119.74 113.18 1xqq s LYS 48 Ca -0.21 -0.64 -0.17 0.00 -1.00 0.00 0.00 55.97 53.96 1xqq s LYS 48 Cb 0.07 -2.75 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 1xqq s LYS 48 CO 0.74 0.59 0.43 1.14 0.10 0.00 0.00 175.35 178.35 1xqq s GLN 49 N -2.17 4.28 0.35 1.78 -2.07 -1.26 -1.34 119.66 119.23 1xqq s GLN 49 Ca 0.27 0.37 -0.26 0.00 -1.82 0.00 0.00 55.36 53.91 1xqq s GLN 49 Cb -0.12 -3.41 -0.09 0.00 -1.09 0.00 0.00 33.01 28.30 1xqq s GLN 49 CO 0.19 0.24 1.08 -0.51 -1.32 0.00 0.00 175.29 174.97 1xqq s LEU 50 N 0.40 4.32 -0.07 2.60 1.43 -0.16 -4.96 118.68 122.23 1xqq s LEU 50 Ca 0.24 2.17 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 1xqq s LEU 50 Cb -0.15 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 1xqq s LEU 50 CO 0.09 -0.37 -0.24 -1.61 0.23 0.00 0.00 176.35 174.45 1xqq s GLU 51 N -2.04 2.64 0.13 1.70 2.02 -1.26 -4.72 118.70 117.17 1xqq s GLU 51 Ca 0.52 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.56 1xqq s GLU 51 Cb -0.27 -2.15 0.14 0.00 0.10 0.00 0.00 34.13 31.95 1xqq s GLU 51 CO 0.34 0.30 0.83 -0.25 0.02 0.00 0.00 175.26 176.51 1xqq n ASP 52 N 3.16 -0.33 -1.34 -0.19 8.00 -1.26 -3.47 116.55 121.12 1xqq n ASP 52 Ca -0.18 0.93 0.08 0.00 0.71 0.00 0.00 54.79 56.33 1xqq n ASP 52 Cb 0.52 -0.22 0.32 0.00 -0.02 0.00 0.00 41.12 41.72 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N -1.26 3.25 3.47 0.44 0.00 -1.26 -1.67 105.19 108.15 1xqq n GLY 53 Ca 0.06 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.34 2.11 0.68 1.61 3.52 -1.23 -4.98 118.95 118.33 1xqq s ARG 54 Ca 0.46 -0.96 -0.09 0.00 -0.13 0.00 0.00 55.73 55.01 1xqq s ARG 54 Cb 0.34 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.54 1xqq s ARG 54 CO 0.16 0.54 1.04 0.95 -0.81 0.00 0.00 175.30 177.18 1xqq s THR 55 N -0.93 3.21 -0.23 4.11 -4.23 -1.26 -2.95 115.64 113.35 1xqq s THR 55 Ca 0.15 0.19 0.21 0.00 -1.18 0.00 0.00 61.69 61.06 1xqq s THR 55 Cb -0.11 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.62 1xqq s THR 55 CO 0.06 -0.43 1.61 -0.07 -0.54 0.00 0.00 174.62 175.25 1xqq h LEU 56 N -0.56 0.00 -0.49 4.79 3.38 -0.86 -2.45 115.31 119.12 1xqq h LEU 56 Ca -0.45 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1xqq h LEU 56 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 56 CO 0.63 0.19 -0.46 -1.28 0.09 0.00 0.00 178.44 177.61 1xqq h SER 57 N 0.00 0.79 -0.70 -0.43 0.87 -1.55 0.32 113.55 112.84 1xqq h SER 57 Ca -0.00 -0.38 0.07 0.00 -1.23 0.00 0.00 61.79 60.25 1xqq h SER 57 Cb 1.05 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.73 1xqq h SER 57 CO 0.02 1.13 0.38 0.44 -0.53 0.00 0.00 176.83 178.27 1xqq h ASP 58 N 0.58 0.55 0.21 6.23 3.32 -1.81 -2.52 116.42 122.98 1xqq h ASP 58 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xqq h ASP 58 Cb 1.02 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1xqq h ASP 58 CO 0.10 0.34 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.63 1xqq n TYR 59 N -4.80 0.00 -3.62 4.55 4.01 -0.92 -4.96 117.16 111.41 1xqq n TYR 59 Ca 0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 1xqq n TYR 59 Cb 0.21 -0.11 0.04 0.00 -0.31 0.00 0.00 39.34 39.18 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 -2.04 -4.47 7.72 5.03 -0.09 -5.01 115.26 115.76 1xqq n ASN 60 Ca 0.16 -0.80 -0.39 0.00 0.87 0.00 0.00 54.58 54.43 1xqq n ASN 60 Cb 0.29 -4.25 -0.11 0.00 -1.02 0.00 0.00 39.78 34.69 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.59 4.77 0.00 2.41 1.01 -0.11 -5.01 121.20 120.68 1xqq s ILE 61 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1xqq s ILE 61 Cb -0.02 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1xqq s ILE 61 CO 0.80 0.11 0.00 0.00 0.00 0.00 0.00 174.94 175.84 1xqq n GLN 62 N 5.01 2.39 -2.18 2.79 6.02 -1.26 -4.58 117.38 125.57 1xqq n GLN 62 Ca -0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 1xqq n GLN 62 Cb 0.50 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.77 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N 2.02 3.34 -1.43 -1.09 -2.85 -1.26 -3.80 119.74 114.67 1xqq s LYS 63 Ca 0.00 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.39 1xqq s LYS 63 Cb 0.00 -2.19 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 1xqq s LYS 63 CO 0.00 -0.57 0.00 0.39 0.10 0.00 0.00 175.35 175.27 1xqq n GLU 64 N -2.63 -1.90 -3.00 1.78 1.02 0.04 -4.97 120.64 110.98 1xqq n GLU 64 Ca 0.04 0.81 -0.30 0.00 -0.02 0.00 0.00 57.16 57.69 1xqq n GLU 64 Cb 0.55 -5.40 -0.03 0.00 -0.02 0.00 0.00 31.44 26.55 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 -2.08 6.51 -0.50 1.62 0.15 -1.25 -4.84 113.70 113.30 1xqq s SER 65 Ca 0.00 1.02 0.04 0.00 0.70 0.00 0.00 55.95 57.70 1xqq s SER 65 Cb 0.00 -2.27 0.13 0.00 -1.71 0.00 0.00 66.02 62.17 1xqq s SER 65 CO 0.00 -0.34 0.25 -0.89 1.20 0.00 0.00 173.24 173.46 1xqq s THR 66 N -2.28 2.40 0.21 6.45 2.01 -1.26 -1.02 115.64 122.16 1xqq s THR 66 Ca 0.49 -3.18 -0.07 0.00 0.31 0.00 0.00 61.69 59.24 1xqq s THR 66 Cb -0.10 -2.67 -0.06 0.00 0.01 0.00 0.00 72.50 69.67 1xqq s THR 66 CO 0.31 -0.81 0.50 -0.76 -0.69 0.00 0.00 174.62 173.16 1xqq s LEU 67 N -0.16 4.18 -0.04 4.42 1.43 -0.66 -4.80 118.68 123.05 1xqq s LEU 67 Ca 0.17 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 1xqq s LEU 67 Cb -0.26 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1xqq s LEU 67 CO -0.00 -0.05 -0.19 -1.00 0.23 0.00 0.00 176.35 175.33 1xqq s HIS 68 N -1.81 2.55 -0.35 0.29 3.76 -0.25 -1.01 115.29 118.47 1xqq s HIS 68 Ca 0.45 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 54.92 1xqq s HIS 68 Cb -0.11 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 1xqq s HIS 68 CO 0.24 0.06 0.23 -1.17 -0.85 0.00 0.00 174.74 173.25 1xqq s LEU 69 N -0.61 4.58 0.44 0.89 0.20 0.13 -0.36 118.68 123.94 1xqq s LEU 69 Ca 0.09 -0.59 0.07 0.00 0.69 0.00 0.00 54.13 54.39 1xqq s LEU 69 Cb -0.11 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.52 1xqq s LEU 69 CO 0.00 -0.28 0.30 0.68 -0.29 0.00 0.00 176.35 176.76 1xqq s VAL 70 N 1.68 2.35 0.46 1.68 -7.23 -0.87 -2.87 120.40 115.60 1xqq s VAL 70 Ca 0.05 -1.51 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 1xqq s VAL 70 Cb -0.18 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 33.84 1xqq s VAL 70 CO 0.09 0.00 0.88 -0.76 -0.31 0.00 0.00 175.10 175.00 1xqq s LEU 71 N -4.07 3.72 -0.19 1.32 1.43 -1.26 -1.20 118.68 118.43 1xqq s LEU 71 Ca 0.43 1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 54.85 1xqq s LEU 71 Cb -0.00 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 1xqq s LEU 71 CO 0.25 -0.50 -0.06 -0.60 0.23 0.00 0.00 176.35 175.66 1xqq s ARG 72 N -3.97 3.40 0.60 1.70 3.52 -0.22 -4.41 118.95 119.56 1xqq s ARG 72 Ca 0.55 -0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 1xqq s ARG 72 Cb -0.10 -2.91 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1xqq s ARG 72 CO 0.32 -0.07 0.87 -0.51 -0.81 0.00 0.00 175.30 175.09 1xqq s LEU 73 N 1.14 3.16 -0.07 -0.88 1.43 -1.26 -4.70 118.68 117.50 1xqq s LEU 73 Ca 0.01 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1xqq s LEU 73 Cb -0.14 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 1xqq s LEU 73 CO -0.01 -1.22 0.32 -0.09 0.23 0.00 0.00 176.35 175.57 1xqq h ARG 74 N -0.17 -0.26 -5.52 1.70 9.65 -1.99 -3.40 114.38 114.38 1xqq h ARG 74 Ca -0.44 0.02 -0.47 0.00 -1.10 0.00 0.00 59.98 57.99 1xqq h ARG 74 Cb 1.29 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.88 1xqq h ARG 74 CO 0.57 -0.18 1.56 0.41 2.80 0.00 0.00 179.97 185.14 1xqq n GLY 75 N 1.08 1.69 0.00 2.80 0.00 -1.26 -5.32 105.19 104.18 1xqq n GLY 75 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93