#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 4.07 0.23 3.17 -0.21 -1.26 -2.40 119.66 123.26 1xqq s GLN 2 Ca 0.00 -0.27 0.10 0.00 0.02 0.00 0.00 55.36 55.21 1xqq s GLN 2 Cb 0.00 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 1xqq s GLN 2 CO 0.00 0.08 -0.18 0.96 -2.12 0.00 0.00 175.29 174.03 1xqq s ILE 3 N 1.00 2.08 -0.08 1.08 -4.36 -0.71 -0.76 121.20 119.45 1xqq s ILE 3 Ca 0.07 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.23 1xqq s ILE 3 Cb -0.13 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 1xqq s ILE 3 CO 0.04 -0.46 -0.10 -0.36 0.24 0.00 0.00 174.94 174.31 1xqq s PHE 4 N -2.60 2.86 -0.18 1.37 0.08 -0.26 -1.14 117.98 118.10 1xqq s PHE 4 Ca 0.25 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 1xqq s PHE 4 Cb -0.03 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1xqq s PHE 4 CO 0.10 0.15 -0.07 0.08 -0.10 0.00 0.00 175.22 175.39 1xqq s VAL 5 N -0.44 3.37 -0.21 -0.44 1.01 0.27 -0.15 120.40 123.81 1xqq s VAL 5 Ca 0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1xqq s VAL 5 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1xqq s VAL 5 CO 0.02 0.47 0.03 -0.75 0.00 0.00 0.00 175.10 174.87 1xqq s LYS 6 N 0.87 3.69 0.50 2.72 2.20 -0.90 -0.01 119.74 128.80 1xqq s LYS 6 Ca -0.02 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1xqq s LYS 6 Cb -0.15 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1xqq s LYS 6 CO 0.01 0.02 0.76 0.95 -0.36 0.00 0.00 175.35 176.73 1xqq s THR 7 N 1.02 4.08 0.20 3.43 -4.23 -0.47 -1.82 115.64 117.85 1xqq s THR 7 Ca 0.03 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1xqq s THR 7 Cb -0.14 -3.55 0.10 0.00 1.34 0.00 0.00 72.50 70.25 1xqq s THR 7 CO 0.02 -0.48 1.70 -0.07 -0.54 0.00 0.00 174.62 175.25 1xqq h LEU 8 N 0.19 1.08 -0.49 4.79 3.38 -1.90 -2.96 115.31 119.40 1xqq h LEU 8 Ca -0.46 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.09 1xqq h LEU 8 Cb 1.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1xqq h LEU 8 CO 0.59 1.06 -0.72 0.71 0.09 0.00 0.00 178.44 180.18 1xqq h THR 9 N 1.06 1.42 0.00 0.22 1.35 -1.95 -3.48 112.91 111.54 1xqq h THR 9 Ca 0.21 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1xqq h THR 9 Cb 0.43 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1xqq h THR 9 CO 0.01 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1xqq n GLY 10 N 0.51 0.93 3.44 5.82 0.00 -1.12 -5.14 105.19 109.64 1xqq n GLY 10 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.15 3.60 -0.75 1.61 1.02 -1.26 -4.93 119.74 119.17 1xqq s LYS 11 Ca 0.00 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 1xqq s LYS 11 Cb 0.00 -3.01 0.13 0.00 -0.52 0.00 0.00 37.83 34.43 1xqq s LYS 11 CO 0.00 0.06 0.88 0.99 -0.92 0.00 0.00 175.35 176.36 1xqq s THR 12 N 0.85 4.87 -0.22 2.17 2.01 -1.26 -1.37 115.64 122.68 1xqq s THR 12 Ca -0.00 -1.37 -0.09 0.00 0.31 0.00 0.00 61.69 60.55 1xqq s THR 12 Cb -0.14 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 1xqq s THR 12 CO 0.02 -1.27 0.10 -0.63 -0.69 0.00 0.00 174.62 172.15 1xqq s ILE 13 N 2.40 4.89 -0.24 1.82 1.01 0.99 -4.91 121.20 127.16 1xqq s ILE 13 Ca 0.21 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 1xqq s ILE 13 Cb -0.15 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.08 1xqq s ILE 13 CO -0.01 0.38 0.98 -0.89 0.00 0.00 0.00 174.94 175.40 1xqq s THR 14 N 0.96 4.72 -0.04 2.92 2.01 -1.26 -0.56 115.64 124.39 1xqq s THR 14 Ca 0.05 1.87 -0.00 0.00 0.31 0.00 0.00 61.69 63.92 1xqq s THR 14 Cb -0.14 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1xqq s THR 14 CO 0.03 -0.16 0.01 -0.76 -0.69 0.00 0.00 174.62 173.05 1xqq s LEU 15 N 3.11 3.57 -0.38 4.42 2.01 -0.30 -4.97 118.68 126.14 1xqq s LEU 15 Ca 0.41 0.07 -0.06 0.00 0.01 0.00 0.00 54.13 54.56 1xqq s LEU 15 Cb -0.15 -1.95 0.07 0.00 0.01 0.00 0.00 46.19 44.17 1xqq s LEU 15 CO 0.07 0.32 0.17 -0.70 1.01 0.00 0.00 176.35 177.22 1xqq s GLU 16 N -1.28 2.42 0.11 1.70 2.12 -1.26 -1.74 118.70 120.78 1xqq s GLU 16 Ca 0.17 -1.46 0.03 0.00 0.36 0.00 0.00 54.97 54.07 1xqq s GLU 16 Cb -0.11 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1xqq s GLU 16 CO 0.07 -0.87 -0.09 0.14 -0.54 0.00 0.00 175.26 173.97 1xqq s VAL 17 N 1.32 0.90 0.60 3.70 -7.23 -1.01 -4.95 120.40 113.72 1xqq s VAL 17 Ca 0.02 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1xqq s VAL 17 Cb -0.22 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1xqq s VAL 17 CO 0.00 -0.70 0.88 -1.61 -0.31 0.00 0.00 175.10 173.35 1xqq s GLU 18 N -3.31 2.57 0.45 4.82 0.41 -1.26 -0.91 118.70 121.47 1xqq s GLU 18 Ca 0.10 -0.38 0.24 0.00 -0.41 0.00 0.00 54.97 54.51 1xqq s GLU 18 Cb 0.01 -2.33 0.98 0.00 -1.78 0.00 0.00 34.13 31.00 1xqq s GLU 18 CO -0.01 -0.84 1.85 -1.00 -0.49 0.00 0.00 175.26 174.77 1xqq h PRO 19 N -0.18 0.00 -0.64 0.39 0.13 -1.97 -2.97 132.00 126.76 1xqq h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xqq h PRO 19 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xqq h PRO 19 CO 0.58 0.22 0.00 0.43 -0.23 0.00 0.00 178.00 179.00 1xqq n SER 20 N -3.44 4.55 -4.75 1.44 7.64 -1.26 -1.67 113.62 116.14 1xqq n SER 20 Ca -0.00 -2.53 -0.41 0.00 1.01 0.00 0.00 58.87 56.94 1xqq n SER 20 Cb 0.41 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.79 6.81 0.77 6.43 1.01 -1.12 -4.85 116.67 124.93 1xqq s ASP 21 Ca 0.46 2.56 -0.12 0.00 0.71 0.00 0.00 52.55 56.16 1xqq s ASP 21 Cb 0.31 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.67 1xqq s ASP 21 CO 0.19 -0.55 1.14 0.42 0.21 0.00 0.00 175.17 176.59 1xqq s THR 22 N -0.41 2.52 0.14 -1.27 -4.23 -1.26 -2.48 115.64 108.64 1xqq s THR 22 Ca 0.54 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1xqq s THR 22 Cb -0.39 -3.16 -0.17 0.00 1.34 0.00 0.00 72.50 70.12 1xqq s THR 22 CO 0.45 -0.21 1.32 0.40 -0.54 0.00 0.00 174.62 176.04 1xqq h ILE 23 N -0.90 1.42 -0.87 2.99 1.08 -0.25 -2.41 117.51 118.57 1xqq h ILE 23 Ca -0.46 -2.48 0.22 0.00 -0.39 0.00 0.00 64.86 61.76 1xqq h ILE 23 Cb 1.30 2.42 -0.15 0.00 -3.07 0.00 0.00 36.82 37.33 1xqq h ILE 23 CO 0.65 0.74 0.09 -0.08 -0.69 0.00 0.00 178.15 178.85 1xqq h GLU 24 N 0.20 0.10 -0.10 2.37 4.81 0.75 -0.82 114.58 121.90 1xqq h GLU 24 Ca -0.07 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1xqq h GLU 24 Cb 1.56 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1xqq h GLU 24 CO 0.16 0.07 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.17 1xqq h ASN 25 N 0.11 0.25 -0.68 1.04 -0.26 -1.77 -2.98 115.58 111.28 1xqq h ASN 25 Ca 0.52 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 56.10 1xqq h ASN 25 Cb 1.01 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.17 1xqq h ASN 25 CO -0.74 0.66 0.27 0.58 -1.06 0.00 0.00 177.43 177.13 1xqq h VAL 26 N 0.20 1.24 0.00 2.81 2.07 -0.67 -2.38 116.25 119.53 1xqq h VAL 26 Ca 0.02 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1xqq h VAL 26 Cb 0.84 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xqq h VAL 26 CO 0.07 0.31 -0.13 0.11 0.02 0.00 0.00 177.57 177.95 1xqq h LYS 27 N 1.02 0.00 -0.17 1.57 1.57 -1.37 -1.40 116.57 117.80 1xqq h LYS 27 Ca 0.24 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1xqq h LYS 27 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1xqq h LYS 27 CO -0.02 0.13 -0.49 0.00 -0.57 0.00 0.00 179.45 178.50 1xqq h ALA 28 N 1.87 0.84 -0.28 3.86 0.00 -1.30 -1.75 119.26 122.49 1xqq h ALA 28 Ca -0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1xqq h ALA 28 Cb 0.66 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xqq h ALA 28 CO 0.02 0.67 -0.47 0.87 0.00 0.00 0.00 179.25 180.34 1xqq h LYS 29 N 0.36 0.82 -0.13 0.00 1.57 -1.15 -2.84 116.57 115.19 1xqq h LYS 29 Ca 0.02 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 1xqq h LYS 29 Cb 0.99 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xqq h LYS 29 CO 0.09 1.13 -0.29 0.82 -0.57 0.00 0.00 179.45 180.63 1xqq h ILE 30 N 0.58 1.25 -0.43 1.86 2.04 -1.26 0.16 117.51 121.72 1xqq h ILE 30 Ca 0.02 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 1xqq h ILE 30 Cb 1.07 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1xqq h ILE 30 CO 0.11 0.36 0.00 -0.61 0.00 0.00 0.00 178.15 178.02 1xqq h GLN 31 N 0.22 0.75 0.00 2.37 4.15 -1.37 -0.62 115.11 120.62 1xqq h GLN 31 Ca 0.03 -0.24 -0.16 0.00 0.77 0.00 0.00 58.65 59.05 1xqq h GLN 31 Cb 0.62 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1xqq h GLN 31 CO 0.05 0.82 -0.77 -0.44 -1.93 0.00 0.00 178.83 176.56 1xqq h ASP 32 N 0.59 0.00 0.06 -0.69 3.32 -1.35 -2.06 116.42 116.29 1xqq h ASP 32 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xqq h ASP 32 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xqq h ASP 32 CO 0.02 0.77 -0.03 0.50 -1.72 0.00 0.00 179.24 178.78 1xqq h LYS 33 N 0.00 -0.07 0.02 3.56 1.63 -0.68 -3.42 116.57 117.61 1xqq h LYS 33 Ca -0.01 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 1xqq h LYS 33 Cb 1.52 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1xqq h LYS 33 CO 0.10 -0.05 -0.38 0.93 -3.45 0.00 0.00 179.45 176.61 1xqq h GLU 34 N -0.19 0.05 0.00 1.90 4.39 -1.31 -3.49 114.58 115.93 1xqq h GLU 34 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xqq h GLU 34 Cb 0.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1xqq h GLU 34 CO 0.01 1.04 0.00 0.41 -1.16 0.00 0.00 179.01 179.31 1xqq n GLY 35 N 1.59 1.31 3.70 -3.84 0.00 -0.77 -5.02 105.19 102.15 1xqq n GLY 35 Ca -0.15 0.00 -0.41 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 -2.00 4.91 0.62 -0.61 -1.09 -1.25 -4.93 121.20 116.85 1xqq s ILE 36 Ca 0.00 1.78 -0.18 0.00 -2.23 0.00 0.00 60.65 60.02 1xqq s ILE 36 Cb 0.00 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1xqq s ILE 36 CO 0.00 0.13 1.22 -2.84 -1.23 0.00 0.00 174.94 172.22 1xqq s PRO 37 N 1.37 2.81 0.51 2.79 0.02 -1.26 -3.74 135.00 137.50 1xqq s PRO 37 Ca 0.44 1.86 0.30 0.00 0.02 0.00 0.00 61.00 63.62 1xqq s PRO 37 Cb -0.19 -1.90 1.13 0.00 0.02 0.00 0.00 34.50 33.56 1xqq s PRO 37 CO 0.20 -1.34 1.90 -1.00 -0.33 0.00 0.00 177.00 176.43 1xqq h PRO 38 N 0.70 0.00 -0.69 5.54 0.13 -1.91 -0.79 132.00 134.99 1xqq h PRO 38 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1xqq h PRO 38 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 38 CO 0.54 0.05 0.17 0.38 -0.23 0.00 0.00 178.00 178.91 1xqq h ASP 39 N 0.00 1.03 1.38 1.44 2.03 -1.99 -3.22 116.42 117.08 1xqq h ASP 39 Ca -0.00 -0.21 -0.09 0.00 -0.73 0.00 0.00 57.03 56.00 1xqq h ASP 39 Cb 0.63 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1xqq h ASP 39 CO 0.01 0.98 -0.43 1.56 -1.03 0.00 0.00 179.24 180.33 1xqq h GLN 40 N 1.03 0.00 -6.22 4.15 1.08 -1.52 -3.40 115.11 110.23 1xqq h GLN 40 Ca 0.22 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.86 1xqq h GLN 40 Cb 0.35 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1xqq h GLN 40 CO 0.00 0.43 1.02 -0.65 -0.95 0.00 0.00 178.83 178.68 1xqq s GLN 41 N -3.13 4.14 -0.28 1.46 -0.21 -0.82 -3.10 119.66 117.72 1xqq s GLN 41 Ca 0.03 1.90 -0.01 0.00 0.02 0.00 0.00 55.36 57.30 1xqq s GLN 41 Cb 0.08 -3.91 0.09 0.00 1.00 0.00 0.00 33.01 30.27 1xqq s GLN 41 CO 0.72 -0.86 0.06 0.50 -2.12 0.00 0.00 175.29 173.59 1xqq s ARG 42 N 3.93 0.86 -0.29 2.91 3.52 -1.01 -4.86 118.95 124.01 1xqq s ARG 42 Ca 0.66 -0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 55.08 1xqq s ARG 42 Cb -0.27 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.94 1xqq s ARG 42 CO 0.24 -0.87 0.54 -0.51 -0.81 0.00 0.00 175.30 173.89 1xqq s LEU 43 N 1.59 4.13 0.00 -0.88 1.43 -1.26 -1.78 118.68 121.92 1xqq s LEU 43 Ca 0.06 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1xqq s LEU 43 Cb -0.17 -2.68 0.15 0.00 0.03 0.00 0.00 46.19 43.51 1xqq s LEU 43 CO -0.19 -0.38 1.00 2.30 0.23 0.00 0.00 176.35 179.32 1xqq n ILE 44 N 5.28 0.00 0.00 -0.59 -5.35 -0.10 -2.57 119.36 116.03 1xqq n ILE 44 Ca -0.03 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 1xqq n ILE 44 Cb 0.49 -1.03 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 1xqq n ILE 44 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1xqq n PHE 45 N -2.95 0.00 -0.05 4.28 7.35 -0.92 -1.31 117.46 123.85 1xqq n PHE 45 Ca 0.16 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.73 1xqq n PHE 45 Cb 0.56 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.35 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -1.51 2.25 0.00 3.13 0.00 -1.26 -4.20 120.51 118.92 1xqq n ALA 46 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1xqq n ALA 46 Cb 0.00 0.34 0.00 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 2.30 0.00 3.53 0.00 0.00 -1.26 -5.11 105.19 104.65 1xqq n GLY 47 Ca -0.22 0.00 -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 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -1.09 2.22 0.50 1.61 1.02 -1.26 -5.03 119.74 117.71 1xqq s LYS 48 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 54.88 1xqq s LYS 48 Cb 0.00 -2.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 1xqq s LYS 48 CO 0.00 0.55 1.00 1.14 -0.92 0.00 0.00 175.35 177.11 1xqq s GLN 49 N -1.66 3.90 -0.08 1.68 -2.07 -1.26 -2.16 119.66 118.01 1xqq s GLN 49 Ca 0.17 1.12 0.02 0.00 -1.82 0.00 0.00 55.36 54.86 1xqq s GLN 49 Cb -0.11 -2.12 -0.02 0.00 -1.09 0.00 0.00 33.01 29.67 1xqq s GLN 49 CO 0.08 -0.32 -0.15 -0.51 -1.32 0.00 0.00 175.29 173.08 1xqq s LEU 50 N -3.78 2.69 -0.10 2.60 1.43 -1.06 -4.96 118.68 115.49 1xqq s LEU 50 Ca 0.62 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1xqq s LEU 50 Cb -0.12 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1xqq s LEU 50 CO 0.25 0.28 0.04 -1.61 0.23 0.00 0.00 176.35 175.54 1xqq s GLU 51 N -0.32 3.19 0.09 1.70 2.02 -1.26 -4.72 118.70 119.39 1xqq s GLU 51 Ca 0.03 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.61 1xqq s GLU 51 Cb -0.13 -2.94 0.07 0.00 0.10 0.00 0.00 34.13 31.24 1xqq s GLU 51 CO 0.02 0.69 0.64 -0.25 0.02 0.00 0.00 175.26 176.38 1xqq n ASP 52 N 2.22 -0.30 -0.31 -0.19 9.92 -1.26 -3.06 116.55 123.56 1xqq n ASP 52 Ca -0.19 0.72 0.14 0.00 -0.53 0.00 0.00 54.79 54.93 1xqq n ASP 52 Cb 0.54 -0.15 0.56 0.00 -0.64 0.00 0.00 41.12 41.43 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 -1.17 -0.40 3.96 0.44 0.00 -1.26 0.13 105.19 106.89 1xqq n GLY 53 Ca 0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.18 2.77 0.39 1.61 0.52 -1.17 -4.88 118.95 116.01 1xqq s ARG 54 Ca 0.35 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1xqq s ARG 54 Cb 0.21 -2.52 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 1xqq s ARG 54 CO 0.40 -0.52 0.50 0.95 0.02 0.00 0.00 175.30 176.65 1xqq s THR 55 N -2.67 3.25 0.43 0.02 -4.23 -1.26 -0.50 115.64 110.69 1xqq s THR 55 Ca 0.53 -1.07 0.25 0.00 -1.18 0.00 0.00 61.69 60.22 1xqq s THR 55 Cb -0.10 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.90 1xqq s THR 55 CO 0.38 -0.05 2.07 -0.07 -0.54 0.00 0.00 174.62 176.41 1xqq h LEU 56 N 0.80 0.00 -0.37 4.79 3.38 -1.33 -2.39 115.31 120.19 1xqq h LEU 56 Ca -0.42 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1xqq h LEU 56 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1xqq h LEU 56 CO 0.50 0.12 0.23 -1.28 0.09 0.00 0.00 178.44 178.10 1xqq h SER 57 N 0.00 0.39 -0.58 -0.43 0.87 -1.58 0.24 113.55 112.46 1xqq h SER 57 Ca -0.00 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1xqq h SER 57 Cb 0.31 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1xqq h SER 57 CO 0.02 0.28 -0.06 0.44 -0.53 0.00 0.00 176.83 176.98 1xqq h ASP 58 N 0.48 1.06 0.17 6.23 5.19 -1.73 -1.90 116.42 125.92 1xqq h ASP 58 Ca 0.14 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1xqq h ASP 58 Cb -0.03 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.19 1xqq h ASP 58 CO -0.05 1.14 -0.06 -1.22 -3.12 0.00 0.00 179.24 175.93 1xqq n TYR 59 N -4.16 0.00 -3.15 4.55 4.01 -1.19 -4.93 117.16 112.29 1xqq n TYR 59 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 1xqq n TYR 59 Cb 0.38 -0.09 0.06 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.67 -3.11 -4.57 7.72 4.13 -0.61 -4.99 115.26 113.17 1xqq n ASN 60 Ca 0.18 -0.44 -0.42 0.00 1.68 0.00 0.00 54.58 55.58 1xqq n ASN 60 Cb 0.26 -3.93 -0.06 0.00 -1.54 0.00 0.00 39.78 34.51 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 -3.26 4.84 0.41 2.41 1.01 0.74 -5.01 121.20 122.34 1xqq s ILE 61 Ca 0.15 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.45 1xqq s ILE 61 Cb -0.06 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1xqq s ILE 61 CO 0.54 -0.38 0.58 -1.10 0.00 0.00 0.00 174.94 174.59 1xqq s GLN 62 N 2.83 3.00 0.24 2.79 -1.52 -1.26 -4.65 119.66 121.08 1xqq s GLN 62 Ca 0.26 -0.86 -0.31 0.00 -1.95 0.00 0.00 55.36 52.50 1xqq s GLN 62 Cb -0.14 -2.69 -0.13 0.00 -0.22 0.00 0.00 33.01 29.82 1xqq s GLN 62 CO 0.16 -0.17 1.46 1.17 -0.25 0.00 0.00 175.29 177.66 1xqq n LYS 63 N -1.88 2.16 -3.47 2.91 4.81 -1.26 -2.91 118.16 118.51 1xqq n LYS 63 Ca 0.02 0.77 -0.22 0.00 -0.87 0.00 0.00 58.31 58.01 1xqq n LYS 63 Cb 0.58 -2.46 0.06 0.00 0.02 0.00 0.00 35.03 33.23 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xqq n GLU 64 N 2.26 -2.46 -4.80 1.64 1.02 0.06 -5.02 120.64 113.34 1xqq n GLU 64 Ca 0.12 0.69 -0.31 0.00 -0.02 0.00 0.00 57.16 57.63 1xqq n GLU 64 Cb 0.32 -5.13 -0.13 0.00 -0.02 0.00 0.00 31.44 26.48 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 -3.60 3.82 -0.24 1.62 0.15 -1.15 -4.96 113.70 109.35 1xqq s SER 65 Ca 0.38 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 1xqq s SER 65 Cb -0.09 -0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 1xqq s SER 65 CO 0.79 0.29 0.23 -0.89 1.20 0.00 0.00 173.24 174.87 1xqq s THR 66 N -0.83 5.31 0.18 6.45 2.01 -1.26 -1.11 115.64 126.40 1xqq s THR 66 Ca 0.13 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1xqq s THR 66 Cb -0.10 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1xqq s THR 66 CO 0.03 0.30 0.32 -0.76 -0.69 0.00 0.00 174.62 173.82 1xqq s LEU 67 N 1.26 4.32 -0.10 4.42 1.43 0.79 -4.82 118.68 125.97 1xqq s LEU 67 Ca 0.10 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 67 Cb -0.14 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1xqq s LEU 67 CO 0.06 0.00 -0.09 -1.00 0.23 0.00 0.00 176.35 175.56 1xqq s HIS 68 N -1.83 1.52 -0.54 0.29 3.76 -0.43 -2.13 115.29 115.93 1xqq s HIS 68 Ca 0.35 -0.72 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 1xqq s HIS 68 Cb -0.10 -1.22 0.04 0.00 1.11 0.00 0.00 32.58 32.41 1xqq s HIS 68 CO 0.29 -0.47 0.90 -1.17 -0.85 0.00 0.00 174.74 173.43 1xqq s LEU 69 N 1.47 4.23 0.55 0.89 2.96 -0.75 -0.93 118.68 127.09 1xqq s LEU 69 Ca 0.01 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1xqq s LEU 69 Cb -0.13 -2.78 0.06 0.00 0.50 0.00 0.00 46.19 43.84 1xqq s LEU 69 CO -0.06 -1.18 0.59 0.68 -1.32 0.00 0.00 176.35 175.06 1xqq s VAL 70 N 3.76 1.94 0.98 1.68 -7.23 -0.73 -3.96 120.40 116.83 1xqq s VAL 70 Ca 0.28 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.06 1xqq s VAL 70 Cb -0.13 -2.18 0.18 0.00 0.56 0.00 0.00 36.38 34.80 1xqq s VAL 70 CO 0.18 0.00 1.19 -0.76 -0.31 0.00 0.00 175.10 175.41 1xqq s LEU 71 N -4.46 2.00 0.03 1.32 1.43 -1.26 -2.40 118.68 115.34 1xqq s LEU 71 Ca 0.48 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.06 1xqq s LEU 71 Cb -0.04 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.31 1xqq s LEU 71 CO 0.30 -2.88 1.26 -0.09 0.23 0.00 0.00 176.35 175.17 1xqq h ARG 72 N -1.73 -0.58 0.00 1.70 2.43 -1.75 -3.40 114.38 111.05 1xqq h ARG 72 Ca -0.47 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1xqq h ARG 72 Cb 1.29 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1xqq h ARG 72 CO 0.49 -0.39 -0.43 1.25 -1.51 0.00 0.00 179.97 179.38 1xqq h LEU 73 N -0.60 0.00 -9.78 3.80 5.85 -1.93 -3.48 115.31 109.18 1xqq h LEU 73 Ca -0.06 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.12 1xqq h LEU 73 Cb 0.47 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1xqq h LEU 73 CO 0.08 0.65 0.04 -0.60 -0.34 0.00 0.00 178.44 178.27 1xqq s ARG 74 N -2.07 4.24 0.05 1.25 3.00 -1.26 -5.09 118.95 119.07 1xqq s ARG 74 Ca -0.13 0.80 -0.27 0.00 -1.00 0.00 0.00 55.73 55.14 1xqq s ARG 74 Cb 0.02 -3.07 0.08 0.00 0.00 0.00 0.00 34.95 31.98 1xqq s ARG 74 CO 0.19 0.52 0.72 0.20 0.00 0.00 0.00 175.30 176.93 1xqq s GLY 75 N -1.40 -0.55 0.00 8.12 0.00 -1.26 -4.14 107.32 108.09 1xqq s GLY 75 Ca 0.36 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1xqq s GLY 75 CO 0.21 0.46 0.19 0.61 0.00 0.00 0.00 173.10 174.58