#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 4.37 0.40 2.12 0.74 -1.26 -0.99 119.66 125.04 1xqq s GLN 2 Ca 0.00 0.81 0.06 0.00 0.05 0.00 0.00 55.36 56.28 1xqq s GLN 2 Cb 0.00 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.68 1xqq s GLN 2 CO 0.00 0.31 0.02 0.96 -0.55 0.00 0.00 175.29 176.03 1xqq s ILE 3 N -0.02 1.68 -0.19 -2.34 -4.36 0.19 -0.62 121.20 115.55 1xqq s ILE 3 Ca 0.33 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1xqq s ILE 3 Cb -0.19 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1xqq s ILE 3 CO 0.18 0.00 -0.13 -0.36 0.24 0.00 0.00 174.94 174.87 1xqq s PHE 4 N -2.87 2.84 -0.43 1.37 0.08 0.57 -1.21 117.98 118.33 1xqq s PHE 4 Ca 0.32 -1.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.05 1xqq s PHE 4 Cb 0.09 -1.97 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1xqq s PHE 4 CO 0.16 -0.62 0.28 0.08 -0.10 0.00 0.00 175.22 175.02 1xqq s VAL 5 N 1.21 4.30 0.07 -0.44 1.01 0.11 -0.92 120.40 125.73 1xqq s VAL 5 Ca 0.02 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.33 1xqq s VAL 5 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1xqq s VAL 5 CO -0.06 -0.53 0.85 -0.54 0.00 0.00 0.00 175.10 174.82 1xqq s LYS 6 N 1.44 4.58 0.79 2.72 1.02 -0.73 -0.00 119.74 129.55 1xqq s LYS 6 Ca 0.03 1.23 -0.06 0.00 0.02 0.00 0.00 55.97 57.19 1xqq s LYS 6 Cb -0.23 -3.37 0.14 0.00 -0.52 0.00 0.00 37.83 33.84 1xqq s LYS 6 CO 0.02 0.24 1.09 0.95 -0.92 0.00 0.00 175.35 176.74 1xqq s THR 7 N 0.01 2.13 0.05 2.17 -4.23 0.14 0.12 115.64 116.03 1xqq s THR 7 Ca 0.42 -0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 60.39 1xqq s THR 7 Cb -0.22 -2.78 -0.15 0.00 1.34 0.00 0.00 72.50 70.70 1xqq s THR 7 CO 0.26 0.00 1.29 0.25 -0.54 0.00 0.00 174.62 175.88 1xqq h LEU 8 N -0.87 0.55 0.34 4.79 6.46 -1.85 -3.39 115.31 121.34 1xqq h LEU 8 Ca -0.40 -0.56 -0.02 0.00 -0.12 0.00 0.00 57.88 56.78 1xqq h LEU 8 Cb 1.27 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1xqq h LEU 8 CO 0.43 1.01 -0.16 0.71 -0.62 0.00 0.00 178.44 179.82 1xqq h THR 9 N 0.11 0.00 0.00 1.05 1.35 -1.95 -3.47 112.91 110.00 1xqq h THR 9 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1xqq h THR 9 Cb 0.93 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1xqq h THR 9 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1xqq n GLY 10 N 0.14 0.00 3.71 5.82 0.00 -1.26 -5.14 105.19 108.46 1xqq n GLY 10 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 3.20 -0.27 1.61 2.20 -1.26 -4.94 119.74 120.28 1xqq s LYS 11 Ca 0.00 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.18 1xqq s LYS 11 Cb 0.00 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.38 1xqq s LYS 11 CO 0.00 0.66 0.10 0.99 -0.36 0.00 0.00 175.35 176.74 1xqq s THR 12 N -0.74 4.43 -0.22 3.43 2.01 -1.26 0.23 115.64 123.52 1xqq s THR 12 Ca 0.12 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 12 Cb -0.12 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1xqq s THR 12 CO 0.02 0.24 0.12 -0.63 -0.69 0.00 0.00 174.62 173.69 1xqq s ILE 13 N 1.62 5.15 -0.23 1.82 1.01 1.00 -4.88 121.20 126.68 1xqq s ILE 13 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1xqq s ILE 13 Cb -0.16 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1xqq s ILE 13 CO 0.05 0.39 0.13 -0.89 0.00 0.00 0.00 174.94 174.62 1xqq s THR 14 N 0.81 5.14 -0.03 2.92 2.01 -1.26 0.04 115.64 125.27 1xqq s THR 14 Ca 0.06 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 1xqq s THR 14 Cb -0.13 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1xqq s THR 14 CO 0.02 0.37 0.06 -0.22 -0.69 0.00 0.00 174.62 174.17 1xqq s LEU 15 N 0.95 1.05 -0.33 4.42 2.96 -0.35 -5.00 118.68 122.39 1xqq s LEU 15 Ca 0.06 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1xqq s LEU 15 Cb -0.13 0.07 0.07 0.00 0.50 0.00 0.00 46.19 46.69 1xqq s LEU 15 CO 0.03 -0.12 0.04 -0.70 -1.32 0.00 0.00 176.35 174.28 1xqq s GLU 16 N 1.00 2.27 0.21 1.98 2.12 -1.26 -0.64 118.70 124.37 1xqq s GLU 16 Ca -0.08 -1.43 0.10 0.00 0.36 0.00 0.00 54.97 53.92 1xqq s GLU 16 Cb -0.11 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1xqq s GLU 16 CO -0.03 -0.74 -0.14 0.14 -0.54 0.00 0.00 175.26 173.95 1xqq s VAL 17 N 1.20 2.88 0.14 3.70 -7.23 -0.16 -4.90 120.40 116.04 1xqq s VAL 17 Ca -0.01 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 1xqq s VAL 17 Cb -0.20 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 1xqq s VAL 17 CO -0.02 -0.18 0.58 -0.70 -0.31 0.00 0.00 175.10 174.46 1xqq s GLU 18 N -2.97 4.06 0.00 4.82 2.56 -1.26 -0.84 118.70 125.07 1xqq s GLU 18 Ca 0.25 0.59 0.27 0.00 0.00 0.00 0.00 54.97 56.09 1xqq s GLU 18 Cb -0.08 -2.99 0.93 0.00 2.00 0.00 0.00 34.13 34.00 1xqq s GLU 18 CO 0.14 0.50 1.68 -0.35 -0.56 0.00 0.00 175.26 176.67 1xqq n PRO 19 N 0.98 0.63 0.00 4.30 -0.04 -1.26 -2.09 135.00 137.53 1xqq n PRO 19 Ca -0.06 -0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.23 1xqq n PRO 19 Cb 0.51 -1.49 0.58 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.92 0.35 -4.78 3.54 7.64 -1.26 -2.67 113.62 115.52 1xqq n SER 20 Ca 0.12 -0.30 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 1xqq n SER 20 Cb 0.32 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -2.65 5.21 0.80 6.43 2.15 -0.89 -4.99 116.67 122.73 1xqq s ASP 21 Ca 0.24 -0.41 -0.12 0.00 0.43 0.00 0.00 52.55 52.68 1xqq s ASP 21 Cb 0.20 -1.16 0.07 0.00 -0.30 0.00 0.00 42.92 41.72 1xqq s ASP 21 CO 0.51 -0.10 1.12 0.42 -0.17 0.00 0.00 175.17 176.96 1xqq s THR 22 N -2.22 2.72 0.39 1.71 -4.23 -1.26 -3.74 115.64 109.00 1xqq s THR 22 Ca 0.34 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 61.17 1xqq s THR 22 Cb -0.07 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.86 1xqq s THR 22 CO 0.24 -0.31 1.94 0.40 -0.54 0.00 0.00 174.62 176.35 1xqq h ILE 23 N -1.06 1.16 -0.72 2.99 1.08 -1.31 -1.48 117.51 118.16 1xqq h ILE 23 Ca -0.47 -0.64 0.11 0.00 -0.39 0.00 0.00 64.86 63.47 1xqq h ILE 23 Cb 1.29 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 35.98 1xqq h ILE 23 CO 0.62 0.21 0.33 -0.08 -0.69 0.00 0.00 178.15 178.55 1xqq h GLU 24 N 0.33 0.53 0.00 2.37 4.81 -1.64 -1.18 114.58 119.81 1xqq h GLU 24 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xqq h GLU 24 Cb 0.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xqq h GLU 24 CO 0.01 0.35 0.00 0.09 -0.73 0.00 0.00 179.01 178.73 1xqq n ASN 25 N -4.91 0.73 -0.04 1.04 3.02 -0.62 -1.59 115.26 112.90 1xqq n ASN 25 Ca 0.12 0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 55.11 1xqq n ASN 25 Cb 0.32 -0.77 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 0.00 1.35 0.00 2.41 2.07 -0.65 -3.02 116.25 118.41 1xqq h VAL 26 Ca 0.00 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 1xqq h VAL 26 Cb 0.71 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1xqq h VAL 26 CO 0.00 0.34 -0.41 0.11 0.02 0.00 0.00 177.57 177.63 1xqq h LYS 27 N -0.16 0.00 -0.52 1.57 1.57 -0.90 -2.39 116.57 115.75 1xqq h LYS 27 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 27 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1xqq h LYS 27 CO 0.02 0.41 -0.02 0.00 -0.57 0.00 0.00 179.45 179.29 1xqq h ALA 28 N 1.59 0.99 -0.03 3.86 0.00 -1.33 0.38 119.26 124.72 1xqq h ALA 28 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1xqq h ALA 28 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xqq h ALA 28 CO 0.05 0.61 -0.68 0.87 0.00 0.00 0.00 179.25 180.10 1xqq h LYS 29 N 0.82 0.14 -0.18 0.00 1.57 -1.30 -2.44 116.57 115.18 1xqq h LYS 29 Ca 0.15 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1xqq h LYS 29 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xqq h LYS 29 CO 0.03 0.77 -0.52 0.82 -0.57 0.00 0.00 179.45 179.98 1xqq h ILE 30 N 0.09 1.32 -1.01 1.86 2.04 -1.25 -0.85 117.51 119.71 1xqq h ILE 30 Ca -0.01 -1.76 0.25 0.00 1.00 0.00 0.00 64.86 64.34 1xqq h ILE 30 Cb 1.22 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 39.16 1xqq h ILE 30 CO 0.10 0.55 0.66 -0.61 0.00 0.00 0.00 178.15 178.84 1xqq h GLN 31 N 0.34 0.37 0.00 2.37 4.15 -0.26 0.13 115.11 122.21 1xqq h GLN 31 Ca -0.01 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1xqq h GLN 31 Cb 1.14 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1xqq h GLN 31 CO 0.11 0.25 -0.48 0.22 -1.93 0.00 0.00 178.83 176.99 1xqq h ASP 32 N 0.38 0.00 -0.14 -0.69 3.58 -1.31 -3.13 116.42 115.10 1xqq h ASP 32 Ca 0.55 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 1xqq h ASP 32 Cb 1.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1xqq h ASP 32 CO -0.24 0.94 -0.34 0.11 -2.88 0.00 0.00 179.24 176.83 1xqq h LYS 33 N -1.00 0.48 0.00 0.28 1.57 -1.02 -3.37 116.57 113.51 1xqq h LYS 33 Ca -0.09 -0.33 -0.25 0.00 -1.87 0.00 0.00 60.65 58.11 1xqq h LYS 33 Cb 0.70 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 1xqq h LYS 33 CO -0.06 0.94 -1.93 0.39 -0.57 0.00 0.00 179.45 178.22 1xqq n GLU 34 N -4.35 1.40 -1.36 3.15 -0.58 0.40 -5.04 120.64 114.25 1xqq n GLU 34 Ca -0.07 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1xqq n GLU 34 Cb 0.50 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 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 2.34 0.63 3.54 0.62 0.00 -0.83 -5.02 105.19 106.46 1xqq n GLY 35 Ca -0.24 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.38 4.24 0.62 -0.61 1.01 -1.26 -5.01 121.20 117.81 1xqq s ILE 36 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1xqq s ILE 36 Cb 0.00 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1xqq s ILE 36 CO 0.00 0.46 0.98 -2.16 0.00 0.00 0.00 174.94 174.22 1xqq s PRO 37 N 0.53 3.14 0.63 2.79 0.04 -1.26 -3.83 135.00 137.02 1xqq s PRO 37 Ca -0.00 0.35 0.24 0.00 0.04 0.00 0.00 61.00 61.63 1xqq s PRO 37 Cb -0.14 -2.16 1.18 0.00 0.04 0.00 0.00 34.50 33.42 1xqq s PRO 37 CO 0.02 -0.72 1.64 -1.35 0.04 0.00 0.00 177.00 176.63 1xqq h PRO 38 N -0.32 0.00 0.00 0.56 0.11 -1.92 -1.38 132.00 129.06 1xqq h PRO 38 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1xqq h PRO 38 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xqq h PRO 38 CO 0.62 0.00 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.82 1xqq h ASP 39 N 0.00 0.00 0.00 -2.05 3.32 -1.95 -3.05 116.42 112.69 1xqq h ASP 39 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xqq h ASP 39 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1xqq h ASP 39 CO -0.00 0.15 -0.86 0.00 -1.72 0.00 0.00 179.24 176.81 1xqq n GLN 40 N -3.44 2.27 -2.94 3.56 6.02 -0.54 -4.39 117.38 117.91 1xqq n GLN 40 Ca -0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1xqq n GLN 40 Cb 0.32 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.40 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.34 3.84 -0.25 -1.09 -0.21 -1.09 -3.17 119.66 115.35 1xqq s GLN 41 Ca 0.02 0.44 -0.04 0.00 0.02 0.00 0.00 55.36 55.80 1xqq s GLN 41 Cb 0.09 -3.78 0.01 0.00 1.00 0.00 0.00 33.01 30.33 1xqq s GLN 41 CO 0.50 -0.79 -0.01 0.50 -2.12 0.00 0.00 175.29 173.36 1xqq s ARG 42 N 3.07 3.15 -0.18 2.91 3.52 -0.63 -4.69 118.95 126.11 1xqq s ARG 42 Ca 0.32 -0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 55.03 1xqq s ARG 42 Cb -0.13 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1xqq s ARG 42 CO 0.15 -0.32 0.17 -0.51 -0.81 0.00 0.00 175.30 173.99 1xqq s LEU 43 N 1.44 4.24 -0.00 -0.88 1.43 -1.26 -0.85 118.68 122.80 1xqq s LEU 43 Ca 0.03 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1xqq s LEU 43 Cb -0.16 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 43 CO -0.02 0.19 -0.12 -0.63 0.23 0.00 0.00 176.35 176.01 1xqq s ILE 44 N 0.19 0.91 -0.52 -0.59 1.01 -0.47 -1.43 121.20 120.30 1xqq s ILE 44 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 1xqq s ILE 44 Cb -0.12 -0.77 0.12 0.00 0.01 0.00 0.00 42.46 41.70 1xqq s ILE 44 CO 0.00 0.23 0.45 0.12 0.00 0.00 0.00 174.94 175.75 1xqq s PHE 45 N -0.32 3.28 0.00 3.97 2.19 -0.02 -0.40 117.98 126.68 1xqq s PHE 45 Ca 0.04 -1.34 0.00 0.00 0.33 0.00 0.00 56.93 55.96 1xqq s PHE 45 Cb -0.05 -3.63 0.00 0.00 -1.31 0.00 0.00 43.02 38.03 1xqq s PHE 45 CO -0.00 -0.98 0.00 0.00 1.83 0.00 0.00 175.22 176.07 1xqq n ALA 46 N 5.18 0.00 -0.81 11.12 0.00 -1.26 -0.70 120.51 134.04 1xqq n ALA 46 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 2.04 3.45 0.00 0.00 -1.26 -4.96 105.19 104.46 1xqq n GLY 47 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.21 3.02 -0.68 1.61 1.02 0.13 -5.04 119.74 118.59 1xqq s LYS 48 Ca 0.09 -0.98 -0.27 0.00 0.02 0.00 0.00 55.97 54.83 1xqq s LYS 48 Cb 0.08 -4.01 0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1xqq s LYS 48 CO 0.01 -0.87 1.26 -1.14 -0.92 0.00 0.00 175.35 173.69 1xqq s GLN 49 N 1.90 3.30 0.50 1.68 0.74 -1.26 -0.84 119.66 125.67 1xqq s GLN 49 Ca 0.08 -0.04 -0.22 0.00 0.05 0.00 0.00 55.36 55.23 1xqq s GLN 49 Cb -0.19 -4.12 -0.06 0.00 1.10 0.00 0.00 33.01 29.73 1xqq s GLN 49 CO 0.11 -1.99 1.27 -0.51 -0.55 0.00 0.00 175.29 173.61 1xqq s LEU 50 N 5.53 3.94 -0.02 3.68 1.43 -0.52 -5.01 118.68 127.72 1xqq s LEU 50 Ca 0.39 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1xqq s LEU 50 Cb -0.08 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1xqq s LEU 50 CO 0.19 -1.23 0.02 -0.70 0.23 0.00 0.00 176.35 174.85 1xqq s GLU 51 N -2.78 2.87 -0.02 1.70 2.12 -1.26 -4.89 118.70 116.45 1xqq s GLU 51 Ca 0.67 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.35 1xqq s GLU 51 Cb -0.35 -2.73 -0.31 0.00 0.26 0.00 0.00 34.13 31.00 1xqq s GLU 51 CO 0.42 0.64 0.79 -0.44 -0.54 0.00 0.00 175.26 176.13 1xqq h ASP 52 N 4.46 0.62 -0.39 -1.70 5.19 -1.95 -2.98 116.42 119.68 1xqq h ASP 52 Ca -0.49 -0.84 -0.26 0.00 -0.62 0.00 0.00 57.03 54.82 1xqq h ASP 52 Cb 1.18 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.39 1xqq h ASP 52 CO 0.58 1.69 0.07 0.61 -3.12 0.00 0.00 179.24 179.07 1xqq n GLY 53 N 1.79 3.49 3.28 2.75 0.00 -1.26 -1.78 105.19 113.46 1xqq n GLY 53 Ca -0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.53 1.18 0.46 1.61 1.81 -1.13 -5.01 118.95 117.35 1xqq s ARG 54 Ca 0.43 -1.55 0.07 0.00 -1.72 0.00 0.00 55.73 52.96 1xqq s ARG 54 Cb 0.25 -0.61 -0.00 0.00 -0.45 0.00 0.00 34.95 34.14 1xqq s ARG 54 CO -0.06 -0.00 0.38 0.95 -0.68 0.00 0.00 175.30 175.89 1xqq s THR 55 N -3.37 2.30 0.25 0.02 -4.23 -1.26 -2.01 115.64 107.33 1xqq s THR 55 Ca 0.22 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1xqq s THR 55 Cb 0.04 -2.71 0.12 0.00 1.34 0.00 0.00 72.50 71.29 1xqq s THR 55 CO 0.04 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 56 N 0.96 0.86 -1.31 4.79 3.38 -1.67 -2.70 115.31 119.61 1xqq h LEU 56 Ca -0.40 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.48 1xqq h LEU 56 Cb 1.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1xqq h LEU 56 CO 0.58 0.88 0.53 0.28 0.09 0.00 0.00 178.44 180.80 1xqq h SER 57 N 0.85 0.70 -0.76 -0.43 0.02 -1.80 -0.97 113.55 111.16 1xqq h SER 57 Ca 0.17 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1xqq h SER 57 Cb 0.41 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1xqq h SER 57 CO 0.01 0.41 0.48 0.44 -1.14 0.00 0.00 176.83 177.04 1xqq h ASP 58 N 0.77 0.80 0.70 3.07 3.32 -1.80 -2.73 116.42 120.55 1xqq h ASP 58 Ca 0.38 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1xqq h ASP 58 Cb 0.43 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xqq h ASP 58 CO -0.15 0.55 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.66 1xqq n TYR 59 N -4.62 0.00 -3.65 4.55 4.01 -0.97 -4.92 117.16 111.56 1xqq n TYR 59 Ca 0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 1xqq n TYR 59 Cb 0.08 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.34 -2.04 -4.78 7.72 3.02 -0.45 -5.01 115.26 112.38 1xqq n ASN 60 Ca 0.11 -0.75 -0.39 0.00 -0.03 0.00 0.00 54.58 53.52 1xqq n ASN 60 Cb 0.29 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.53 4.39 0.29 2.41 1.01 -0.73 -5.03 121.20 120.01 1xqq s ILE 61 Ca 0.10 1.66 0.03 0.00 0.00 0.00 0.00 60.65 62.43 1xqq s ILE 61 Cb -0.05 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1xqq s ILE 61 CO 0.79 0.49 0.23 0.00 0.00 0.00 0.00 174.94 176.45 1xqq n GLN 62 N 1.50 1.05 -2.41 2.79 1.13 -1.26 -4.73 117.38 115.44 1xqq n GLN 62 Ca -0.05 -1.78 -0.36 0.00 -1.94 0.00 0.00 57.00 52.87 1xqq n GLN 62 Cb 0.49 0.17 -0.02 0.00 0.11 0.00 0.00 30.24 30.98 1xqq n GLN 62 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1xqq s LYS 63 N -3.19 3.84 -0.16 -1.09 1.02 -1.26 -3.77 119.74 115.12 1xqq s LYS 63 Ca 0.17 1.58 0.00 0.00 0.02 0.00 0.00 55.97 57.74 1xqq s LYS 63 Cb -0.01 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1xqq s LYS 63 CO 0.11 -0.43 0.00 0.39 -0.92 0.00 0.00 175.35 174.50 1xqq n GLU 64 N -0.57 -0.11 -2.76 1.68 1.02 0.21 -4.98 120.64 115.14 1xqq n GLU 64 Ca 0.08 0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 57.46 1xqq n GLU 64 Cb 0.50 -4.08 -0.00 0.00 -0.02 0.00 0.00 31.44 27.83 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 -2.98 6.27 -0.14 1.62 0.15 -1.24 -4.66 113.70 112.71 1xqq s SER 65 Ca 0.00 0.85 -0.06 0.00 0.70 0.00 0.00 55.95 57.44 1xqq s SER 65 Cb 0.00 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1xqq s SER 65 CO 0.00 -0.53 0.06 -0.89 1.20 0.00 0.00 173.24 173.08 1xqq s THR 66 N -2.67 4.81 0.40 6.45 2.01 -1.26 -0.32 115.64 125.06 1xqq s THR 66 Ca 0.46 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1xqq s THR 66 Cb -0.10 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1xqq s THR 66 CO 0.43 0.54 0.14 -0.76 -0.69 0.00 0.00 174.62 174.28 1xqq s LEU 67 N -0.29 3.08 -0.04 4.42 1.43 -0.10 -4.75 118.68 122.43 1xqq s LEU 67 Ca 0.08 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 1xqq s LEU 67 Cb -0.12 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1xqq s LEU 67 CO 0.02 -0.49 -0.21 -1.00 0.23 0.00 0.00 176.35 174.90 1xqq s HIS 68 N -2.60 1.98 -0.36 0.29 3.76 0.46 -1.77 115.29 117.06 1xqq s HIS 68 Ca 0.40 -0.53 -0.16 0.00 -0.15 0.00 0.00 55.06 54.62 1xqq s HIS 68 Cb 0.04 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.42 1xqq s HIS 68 CO 0.22 -0.15 0.38 -1.17 -0.85 0.00 0.00 174.74 173.17 1xqq s LEU 69 N -0.16 4.55 0.00 0.89 2.96 0.12 -1.37 118.68 125.67 1xqq s LEU 69 Ca -0.01 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1xqq s LEU 69 Cb -0.11 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.23 1xqq s LEU 69 CO 0.02 -0.40 0.00 1.33 -1.32 0.00 0.00 176.35 175.98 1xqq n VAL 70 N 5.29 0.00 -3.06 1.68 0.24 -0.03 -2.87 118.33 119.59 1xqq n VAL 70 Ca -0.09 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 1xqq n VAL 70 Cb 0.49 -0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 1xqq n VAL 70 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1xqq s LEU 71 N 0.00 4.31 -0.23 1.34 2.34 -1.26 -1.60 118.68 123.57 1xqq s LEU 71 Ca 0.00 1.46 -0.08 0.00 0.06 0.00 0.00 54.13 55.57 1xqq s LEU 71 Cb 0.00 -3.71 -0.04 0.00 -0.56 0.00 0.00 46.19 41.88 1xqq s LEU 71 CO 0.00 -0.01 0.10 -0.60 -1.06 0.00 0.00 176.35 174.78 1xqq s ARG 72 N -2.11 3.88 -0.04 1.48 3.52 -1.19 -4.52 118.95 119.97 1xqq s ARG 72 Ca 0.45 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.73 1xqq s ARG 72 Cb -0.16 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1xqq s ARG 72 CO 0.21 0.01 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.00 1xqq s LEU 73 N 1.13 1.97 0.15 -0.88 1.43 -1.26 -4.72 118.68 116.50 1xqq s LEU 73 Ca 0.05 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 1xqq s LEU 73 Cb -0.14 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.04 1xqq s LEU 73 CO 0.04 0.19 1.65 0.03 0.23 0.00 0.00 176.35 178.48 1xqq h ARG 74 N 6.11 -0.19 -2.12 1.70 3.08 -1.97 -2.83 114.38 118.16 1xqq h ARG 74 Ca -0.33 0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.15 1xqq h ARG 74 Cb 1.17 0.04 -0.41 0.00 0.08 0.00 0.00 29.97 30.85 1xqq h ARG 74 CO 0.48 -0.13 -0.82 0.41 -1.07 0.00 0.00 179.97 178.84 1xqq n GLY 75 N -1.35 4.12 0.00 0.04 0.00 -1.26 -5.32 105.19 101.42 1xqq n GLY 75 Ca -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93