#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 4.66 0.10 3.17 -0.21 -1.26 -1.21 119.66 124.91 1xqq s GLN 2 Ca 0.00 1.40 0.08 0.00 0.02 0.00 0.00 55.36 56.86 1xqq s GLN 2 Cb 0.00 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1xqq s GLN 2 CO 0.00 0.20 -0.22 0.96 -2.12 0.00 0.00 175.29 174.11 1xqq s ILE 3 N 0.09 1.77 -0.16 1.08 -4.36 -1.14 -0.06 121.20 118.42 1xqq s ILE 3 Ca 0.46 -1.52 -0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1xqq s ILE 3 Cb -0.23 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1xqq s ILE 3 CO 0.29 -0.01 0.06 -0.36 0.24 0.00 0.00 174.94 175.16 1xqq s PHE 4 N -1.10 3.27 -0.26 1.37 0.08 0.11 -1.98 117.98 119.47 1xqq s PHE 4 Ca 0.07 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.28 1xqq s PHE 4 Cb -0.10 -2.01 0.06 0.00 -0.57 0.00 0.00 43.02 40.40 1xqq s PHE 4 CO 0.04 0.27 -0.09 0.08 -0.10 0.00 0.00 175.22 175.41 1xqq s VAL 5 N 0.01 2.13 -0.13 -0.44 1.01 0.04 -0.10 120.40 122.91 1xqq s VAL 5 Ca 0.06 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.24 1xqq s VAL 5 Cb -0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1xqq s VAL 5 CO 0.01 -0.08 0.32 -0.75 0.00 0.00 0.00 175.10 174.60 1xqq s LYS 6 N 1.11 4.15 0.70 2.72 2.20 0.16 -1.65 119.74 129.12 1xqq s LYS 6 Ca -0.07 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.69 1xqq s LYS 6 Cb -0.20 -3.38 0.11 0.00 -1.51 0.00 0.00 37.83 32.85 1xqq s LYS 6 CO -0.05 0.34 0.97 0.95 -0.36 0.00 0.00 175.35 177.20 1xqq s THR 7 N 0.13 2.23 0.14 3.43 -4.23 0.54 -0.96 115.64 116.92 1xqq s THR 7 Ca 0.18 -0.56 0.12 0.00 -1.18 0.00 0.00 61.69 60.25 1xqq s THR 7 Cb -0.14 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 1xqq s THR 7 CO 0.06 0.00 1.53 -0.07 -0.54 0.00 0.00 174.62 175.60 1xqq h LEU 8 N -0.47 0.00 0.00 4.79 3.38 -1.89 -3.21 115.31 117.91 1xqq h LEU 8 Ca -0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 8 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 8 CO 0.43 0.63 -0.75 0.71 0.09 0.00 0.00 178.44 179.56 1xqq h THR 9 N 0.00 0.61 0.00 0.22 1.35 -1.95 -3.48 112.91 109.66 1xqq h THR 9 Ca -0.01 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1xqq h THR 9 Cb 1.26 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1xqq h THR 9 CO 0.08 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1xqq n GLY 10 N 1.26 0.76 3.02 5.82 0.00 -1.21 -5.13 105.19 109.71 1xqq n GLY 10 Ca -0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 1.14 -0.39 1.61 2.20 -1.26 -4.91 119.74 118.12 1xqq s LYS 11 Ca 0.00 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.16 1xqq s LYS 11 Cb 0.00 -1.04 0.06 0.00 -1.51 0.00 0.00 37.83 35.34 1xqq s LYS 11 CO 0.00 0.13 0.21 0.99 -0.36 0.00 0.00 175.35 176.32 1xqq s THR 12 N 0.21 4.23 -0.16 3.43 2.01 -1.26 -0.34 115.64 123.76 1xqq s THR 12 Ca -0.04 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 1xqq s THR 12 Cb -0.10 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1xqq s THR 12 CO 0.01 -0.36 0.18 -0.63 -0.69 0.00 0.00 174.62 173.12 1xqq s ILE 13 N 1.46 5.40 -0.38 1.82 1.01 -0.66 -4.93 121.20 124.92 1xqq s ILE 13 Ca 0.02 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 1xqq s ILE 13 Cb -0.21 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1xqq s ILE 13 CO 0.04 0.48 0.34 -0.89 0.00 0.00 0.00 174.94 174.91 1xqq s THR 14 N -0.04 5.20 0.32 2.92 2.01 -1.26 -0.78 115.64 124.01 1xqq s THR 14 Ca 0.12 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1xqq s THR 14 Cb -0.12 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1xqq s THR 14 CO 0.01 -0.21 0.39 -0.76 -0.69 0.00 0.00 174.62 173.36 1xqq s LEU 15 N 1.89 3.87 -0.27 4.42 2.01 -0.84 -4.99 118.68 124.78 1xqq s LEU 15 Ca 0.09 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 53.97 1xqq s LEU 15 Cb -0.17 -2.56 0.07 0.00 0.01 0.00 0.00 46.19 43.54 1xqq s LEU 15 CO 0.11 -0.36 -0.01 -1.61 1.01 0.00 0.00 176.35 175.50 1xqq s GLU 16 N -4.08 1.43 0.50 1.70 2.02 -1.26 -2.89 118.70 116.12 1xqq s GLU 16 Ca 0.42 -1.18 0.06 0.00 0.02 0.00 0.00 54.97 54.29 1xqq s GLU 16 Cb -0.08 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1xqq s GLU 16 CO 0.29 -0.73 0.38 0.14 0.02 0.00 0.00 175.26 175.36 1xqq s VAL 17 N 1.34 1.96 0.01 2.63 -7.23 -0.35 -4.89 120.40 113.87 1xqq s VAL 17 Ca 0.00 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1xqq s VAL 17 Cb -0.19 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1xqq s VAL 17 CO -0.10 0.00 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.91 1xqq s GLU 18 N -4.21 2.19 0.07 4.82 0.41 -1.26 0.27 118.70 120.98 1xqq s GLU 18 Ca 0.39 -0.90 0.05 0.00 -0.41 0.00 0.00 54.97 54.09 1xqq s GLU 18 Cb -0.02 -2.23 0.28 0.00 -1.78 0.00 0.00 34.13 30.39 1xqq s GLU 18 CO 0.23 0.56 1.16 -2.30 -0.49 0.00 0.00 175.26 174.42 1xqq n PRO 19 N 1.80 0.03 0.23 0.39 -0.02 -1.26 -0.93 135.00 135.25 1xqq n PRO 19 Ca -0.16 0.53 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1xqq n PRO 19 Cb 0.52 -1.61 0.48 0.00 -0.02 0.00 0.00 33.50 32.88 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xqq h SER 20 N 0.00 0.00 -4.24 2.55 0.02 -1.96 -0.16 113.55 109.77 1xqq h SER 20 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1xqq h SER 20 Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.63 1xqq h SER 20 CO 0.00 0.00 0.37 -1.81 -1.14 0.00 0.00 176.83 174.25 1xqq s ASP 21 N -5.63 5.46 0.31 3.07 1.01 -0.10 -4.81 116.67 115.98 1xqq s ASP 21 Ca 0.04 1.81 0.08 0.00 0.71 0.00 0.00 52.55 55.19 1xqq s ASP 21 Cb 0.08 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1xqq s ASP 21 CO 0.57 -1.39 0.21 0.42 0.21 0.00 0.00 175.17 175.20 1xqq s THR 22 N -2.59 3.60 0.47 -1.27 -4.23 -1.26 -0.77 115.64 109.58 1xqq s THR 22 Ca 0.63 -1.50 0.25 0.00 -1.18 0.00 0.00 61.69 59.89 1xqq s THR 22 Cb -0.17 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.81 1xqq s THR 22 CO 0.43 -0.23 2.11 0.40 -0.54 0.00 0.00 174.62 176.79 1xqq h ILE 23 N 1.42 0.67 -0.51 2.99 1.08 -1.43 -0.54 117.51 121.19 1xqq h ILE 23 Ca -0.45 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1xqq h ILE 23 Cb 1.25 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 1xqq h ILE 23 CO 0.60 0.10 0.34 -0.08 -0.69 0.00 0.00 178.15 178.41 1xqq h GLU 24 N 0.00 0.67 -0.19 2.37 4.81 -1.81 -1.53 114.58 118.90 1xqq h GLU 24 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xqq h GLU 24 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xqq h GLU 24 CO 0.01 0.44 0.06 -0.91 -0.73 0.00 0.00 179.01 177.88 1xqq h ASN 25 N 0.69 0.27 -0.63 1.04 4.21 -1.43 0.48 115.58 120.21 1xqq h ASN 25 Ca 0.19 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 1xqq h ASN 25 Cb -0.07 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1xqq h ASN 25 CO -0.05 0.40 0.39 0.58 -1.29 0.00 0.00 177.43 177.46 1xqq h VAL 26 N 0.13 1.18 -0.26 2.81 2.07 -1.51 -1.17 116.25 119.51 1xqq h VAL 26 Ca 0.06 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1xqq h VAL 26 Cb 0.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1xqq h VAL 26 CO -0.00 0.19 0.17 0.11 0.02 0.00 0.00 177.57 178.06 1xqq h LYS 27 N 0.86 0.28 0.09 1.57 1.57 -1.12 0.21 116.57 120.03 1xqq h LYS 27 Ca 0.23 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xqq h LYS 27 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1xqq h LYS 27 CO -0.04 0.19 -0.04 0.00 -0.57 0.00 0.00 179.45 178.98 1xqq h ALA 28 N 1.85 -0.13 -0.57 3.86 0.00 -0.39 -1.33 119.26 122.54 1xqq h ALA 28 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xqq h ALA 28 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xqq h ALA 28 CO -0.02 -0.47 0.32 0.87 0.00 0.00 0.00 179.25 179.95 1xqq h LYS 29 N -0.33 0.79 -0.36 0.00 1.57 -0.80 -1.36 116.57 116.07 1xqq h LYS 29 Ca -0.01 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1xqq h LYS 29 Cb 0.28 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xqq h LYS 29 CO 0.02 0.57 -0.42 0.82 -0.57 0.00 0.00 179.45 179.87 1xqq h ILE 30 N 0.80 1.27 -0.72 1.86 2.04 -0.57 -1.36 117.51 120.84 1xqq h ILE 30 Ca 0.20 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.49 1xqq h ILE 30 Cb 0.01 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1xqq h ILE 30 CO -0.03 0.53 0.47 -0.61 0.00 0.00 0.00 178.15 178.51 1xqq h GLN 31 N 0.73 0.89 0.00 2.37 4.15 -0.89 0.19 115.11 122.55 1xqq h GLN 31 Ca 0.05 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1xqq h GLN 31 Cb 1.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1xqq h GLN 31 CO 0.10 0.59 -0.75 0.22 -1.93 0.00 0.00 178.83 177.06 1xqq h ASP 32 N 0.92 0.00 0.00 -0.69 3.58 -1.06 -0.59 116.42 118.59 1xqq h ASP 32 Ca 0.28 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 1xqq h ASP 32 Cb -0.03 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.03 1xqq h ASP 32 CO -0.07 0.75 -0.30 0.50 -2.88 0.00 0.00 179.24 177.24 1xqq h LYS 33 N 0.00 0.20 0.00 0.28 1.63 -0.84 -3.41 116.57 114.44 1xqq h LYS 33 Ca -0.01 -0.22 -0.26 0.00 -0.85 0.00 0.00 60.65 59.31 1xqq h LYS 33 Cb 1.34 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.98 1xqq h LYS 33 CO 0.10 0.95 -2.26 0.39 -3.45 0.00 0.00 179.45 175.18 1xqq n GLU 34 N -4.46 0.72 -0.00 1.90 -0.58 0.65 -5.03 120.64 113.83 1xqq n GLU 34 Ca -0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1xqq n GLU 34 Cb 0.53 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 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 1.63 0.82 3.83 0.62 0.00 -0.23 -5.02 105.19 106.84 1xqq n GLY 35 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 5.42 0.69 -0.61 -1.09 -1.26 -5.01 121.20 117.34 1xqq s ILE 36 Ca 0.00 0.29 -0.15 0.00 -2.23 0.00 0.00 60.65 58.56 1xqq s ILE 36 Cb 0.00 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1xqq s ILE 36 CO 0.00 0.56 1.16 -2.84 -1.23 0.00 0.00 174.94 172.59 1xqq s PRO 37 N -0.61 2.47 0.00 2.79 0.02 -1.26 -4.37 135.00 134.03 1xqq s PRO 37 Ca 0.14 1.61 0.26 0.00 0.02 0.00 0.00 61.00 63.04 1xqq s PRO 37 Cb -0.12 -1.89 0.76 0.00 0.02 0.00 0.00 34.50 33.27 1xqq s PRO 37 CO 0.04 -1.55 1.58 -0.35 -0.33 0.00 0.00 177.00 176.38 1xqq n PRO 38 N -2.51 0.39 0.16 5.54 -0.04 -1.26 -1.34 135.00 135.93 1xqq n PRO 38 Ca 0.12 -0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1xqq n PRO 38 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.50 0.00 1.08 3.54 2.03 -1.99 -3.23 116.42 118.35 1xqq h ASP 39 Ca 0.00 -0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.16 1xqq h ASP 39 Cb 0.48 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.96 1xqq h ASP 39 CO 0.00 0.01 -0.98 1.56 -1.03 0.00 0.00 179.24 178.80 1xqq h GLN 40 N 0.00 0.00 -6.48 4.15 1.08 -1.57 -3.46 115.11 108.83 1xqq h GLN 40 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1xqq h GLN 40 Cb 0.91 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.31 1xqq h GLN 40 CO 0.00 0.34 0.19 -0.65 -0.95 0.00 0.00 178.83 177.77 1xqq s GLN 41 N -2.98 4.57 -0.07 1.46 -0.21 -0.85 -0.21 119.66 121.37 1xqq s GLN 41 Ca 0.00 1.17 -0.03 0.00 0.02 0.00 0.00 55.36 56.52 1xqq s GLN 41 Cb 0.08 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.84 1xqq s GLN 41 CO 0.78 0.48 0.13 0.50 -2.12 0.00 0.00 175.29 175.06 1xqq s ARG 42 N -0.81 0.02 -0.23 2.91 3.52 -0.13 -4.90 118.95 119.34 1xqq s ARG 42 Ca 0.37 0.48 -0.10 0.00 -0.13 0.00 0.00 55.73 56.35 1xqq s ARG 42 Cb -0.23 -0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.82 1xqq s ARG 42 CO 0.26 -0.28 0.13 -0.51 -0.81 0.00 0.00 175.30 174.09 1xqq s LEU 43 N 2.01 4.01 0.13 -0.88 1.43 -1.26 -0.40 118.68 123.73 1xqq s LEU 43 Ca 0.01 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.26 1xqq s LEU 43 Cb -0.12 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1xqq s LEU 43 CO -0.05 0.09 -0.16 0.27 0.23 0.00 0.00 176.35 176.73 1xqq s ILE 44 N 0.91 1.52 -0.03 -0.59 -4.36 -0.00 0.25 121.20 118.90 1xqq s ILE 44 Ca 0.07 -1.76 -0.08 0.00 -0.26 0.00 0.00 60.65 58.62 1xqq s ILE 44 Cb -0.13 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 1xqq s ILE 44 CO 0.03 -0.34 0.45 0.15 0.24 0.00 0.00 174.94 175.47 1xqq h PHE 45 N 3.50 -0.28 0.00 1.37 3.04 -1.62 -1.04 116.94 121.91 1xqq h PHE 45 Ca -0.41 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1xqq h PHE 45 Cb 1.20 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1xqq h PHE 45 CO 0.66 -0.17 -0.22 0.00 -2.02 0.00 0.00 178.31 176.55 1xqq n ALA 46 N -2.50 1.72 -0.40 2.41 0.00 -1.26 -3.89 120.51 116.59 1xqq n ALA 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xqq n ALA 46 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 1.62 0.53 3.83 0.00 0.00 -1.26 -5.08 105.19 104.83 1xqq n GLY 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.14 -0.46 1.61 1.02 -1.26 -5.07 119.74 118.71 1xqq s LYS 48 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.18 1xqq s LYS 48 Cb 0.00 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1xqq s LYS 48 CO 0.00 0.61 1.05 -1.14 -0.92 0.00 0.00 175.35 174.95 1xqq s GLN 49 N -2.24 3.67 -0.40 1.68 0.74 -1.26 -1.77 119.66 120.08 1xqq s GLN 49 Ca 0.29 0.43 -0.23 0.00 0.05 0.00 0.00 55.36 55.90 1xqq s GLN 49 Cb -0.12 -3.91 0.02 0.00 1.10 0.00 0.00 33.01 30.09 1xqq s GLN 49 CO 0.22 -1.30 0.80 -0.51 -0.55 0.00 0.00 175.29 173.95 1xqq s LEU 50 N 4.15 4.14 0.07 3.68 1.43 0.14 -4.98 118.68 127.31 1xqq s LEU 50 Ca 0.44 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1xqq s LEU 50 Cb -0.08 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1xqq s LEU 50 CO 0.29 -0.81 -0.04 -1.61 0.23 0.00 0.00 176.35 174.41 1xqq s GLU 51 N 3.23 2.46 0.11 1.70 2.02 -1.26 -4.32 118.70 122.64 1xqq s GLU 51 Ca 0.32 -0.84 -0.27 0.00 0.02 0.00 0.00 54.97 54.20 1xqq s GLU 51 Cb -0.13 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.54 1xqq s GLU 51 CO 0.19 0.55 1.45 -0.44 0.02 0.00 0.00 175.26 177.03 1xqq h ASP 52 N 3.75 -1.61 0.66 -0.19 3.32 -1.94 -3.30 116.42 117.11 1xqq h ASP 52 Ca -0.48 0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1xqq h ASP 52 Cb 1.17 0.68 -0.00 0.00 0.22 0.00 0.00 39.33 41.39 1xqq h ASP 52 CO 0.57 -0.29 -0.08 1.23 -1.72 0.00 0.00 179.24 178.95 1xqq h GLY 53 N -0.23 0.00 -3.24 2.75 0.00 -1.96 -2.94 103.07 97.45 1xqq h GLY 53 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.94 1xqq h GLY 53 CO -0.57 0.00 -0.44 0.50 0.00 0.00 0.00 176.54 176.03 1xqq s ARG 54 N -3.89 3.42 0.62 4.80 0.52 -1.24 -4.93 118.95 118.25 1xqq s ARG 54 Ca -0.01 -0.76 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 1xqq s ARG 54 Cb 0.11 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1xqq s ARG 54 CO 0.55 0.43 1.05 0.95 0.02 0.00 0.00 175.30 178.31 1xqq s THR 55 N -1.97 3.90 0.36 0.02 -4.23 -1.26 -2.62 115.64 109.84 1xqq s THR 55 Ca 0.34 0.81 0.09 0.00 -1.18 0.00 0.00 61.69 61.75 1xqq s THR 55 Cb -0.09 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1xqq s THR 55 CO 0.29 -0.62 1.88 -0.07 -0.54 0.00 0.00 174.62 175.55 1xqq h LEU 56 N 0.10 0.66 -1.92 4.79 3.38 -0.95 -1.89 115.31 119.48 1xqq h LEU 56 Ca -0.46 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1xqq h LEU 56 Cb 1.22 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.57 0.34 -0.12 -1.28 0.09 0.00 0.00 178.44 178.04 1xqq h SER 57 N 0.70 0.00 1.15 -0.43 0.87 -1.27 -0.14 113.55 114.44 1xqq h SER 57 Ca 0.44 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 1xqq h SER 57 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1xqq h SER 57 CO -0.20 0.12 -0.15 0.44 -0.53 0.00 0.00 176.83 176.52 1xqq h ASP 58 N 0.00 0.00 0.20 6.23 3.32 -1.63 -2.89 116.42 121.66 1xqq h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 58 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1xqq h ASP 58 CO 0.02 0.15 -1.05 -1.22 -1.72 0.00 0.00 179.24 175.42 1xqq n TYR 59 N -3.25 0.08 -3.52 4.55 4.01 -0.59 -4.97 117.16 113.47 1xqq n TYR 59 Ca 0.01 0.02 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 1xqq n TYR 59 Cb 0.43 -0.22 0.08 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.72 -3.70 -4.58 7.72 4.13 -0.17 -4.98 115.26 111.96 1xqq n ASN 60 Ca 0.03 -0.60 -0.43 0.00 1.68 0.00 0.00 54.58 55.25 1xqq n ASN 60 Cb 0.39 -5.01 -0.03 0.00 -1.54 0.00 0.00 39.78 33.60 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 -3.36 4.23 0.81 2.41 1.01 -0.77 -5.01 121.20 120.53 1xqq s ILE 61 Ca 0.24 0.99 -0.06 0.00 0.00 0.00 0.00 60.65 61.82 1xqq s ILE 61 Cb -0.11 -4.60 0.16 0.00 0.01 0.00 0.00 42.46 37.93 1xqq s ILE 61 CO 0.74 -1.06 1.12 -1.10 0.00 0.00 0.00 174.94 174.64 1xqq s GLN 62 N 4.40 1.24 0.34 2.79 -1.52 -1.26 -4.88 119.66 120.76 1xqq s GLN 62 Ca 0.43 -0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 52.62 1xqq s GLN 62 Cb -0.08 -2.16 -0.11 0.00 -0.22 0.00 0.00 33.01 30.44 1xqq s GLN 62 CO 0.29 -1.84 1.48 0.21 -0.25 0.00 0.00 175.29 175.18 1xqq s LYS 63 N -5.42 4.16 -1.71 2.91 2.20 -1.26 -3.25 119.74 117.38 1xqq s LYS 63 Ca 0.70 2.49 -0.01 0.00 -0.36 0.00 0.00 55.97 58.79 1xqq s LYS 63 Cb -0.04 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1xqq s LYS 63 CO 0.48 -0.49 0.12 0.39 -0.36 0.00 0.00 175.35 175.48 1xqq n GLU 64 N 1.10 -2.27 -2.31 4.03 1.02 0.91 -4.99 120.64 118.15 1xqq n GLU 64 Ca 0.03 0.97 -0.38 0.00 -0.02 0.00 0.00 57.16 57.77 1xqq n GLU 64 Cb 0.39 -5.65 -0.02 0.00 -0.02 0.00 0.00 31.44 26.14 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 -2.20 6.44 -0.24 1.62 0.01 -1.20 -4.70 113.70 113.43 1xqq s SER 65 Ca 0.06 2.31 -0.15 0.00 1.31 0.00 0.00 55.95 59.48 1xqq s SER 65 Cb -0.03 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1xqq s SER 65 CO 0.07 -0.73 0.36 -0.89 0.41 0.00 0.00 173.24 172.46 1xqq s THR 66 N -1.47 5.20 0.16 1.44 2.01 -1.26 0.08 115.64 121.80 1xqq s THR 66 Ca 0.59 0.58 0.10 0.00 0.31 0.00 0.00 61.69 63.26 1xqq s THR 66 Cb -0.29 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1xqq s THR 66 CO 0.36 0.21 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.58 1xqq s LEU 67 N 1.67 2.71 -0.20 4.42 1.43 0.85 -4.91 118.68 124.65 1xqq s LEU 67 Ca 0.16 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1xqq s LEU 67 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1xqq s LEU 67 CO 0.09 0.14 -0.05 -1.00 0.23 0.00 0.00 176.35 175.75 1xqq s HIS 68 N -1.47 2.95 0.05 0.29 3.76 -0.40 -0.67 115.29 119.81 1xqq s HIS 68 Ca 0.21 -0.84 -0.24 0.00 -0.15 0.00 0.00 55.06 54.04 1xqq s HIS 68 Cb -0.09 -2.06 -0.06 0.00 1.11 0.00 0.00 32.58 31.48 1xqq s HIS 68 CO 0.12 -0.46 0.73 -1.17 -0.85 0.00 0.00 174.74 173.11 1xqq s LEU 69 N 1.25 4.47 0.09 0.89 2.96 -0.14 -0.82 118.68 127.38 1xqq s LEU 69 Ca 0.03 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.41 1xqq s LEU 69 Cb -0.14 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1xqq s LEU 69 CO -0.02 0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.26 1xqq s VAL 70 N -0.28 1.13 0.23 1.68 1.01 0.47 -3.83 120.40 120.81 1xqq s VAL 70 Ca 0.36 -1.45 0.09 0.00 0.00 0.00 0.00 61.98 60.99 1xqq s VAL 70 Cb -0.20 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1xqq s VAL 70 CO 0.22 -0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 174.18 1xqq s LEU 71 N -2.01 3.04 0.02 3.92 1.43 -1.26 -0.95 118.68 122.87 1xqq s LEU 71 Ca 0.02 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 1xqq s LEU 71 Cb -0.08 -1.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.39 1xqq s LEU 71 CO 0.02 0.05 1.16 -0.09 0.23 0.00 0.00 176.35 177.73 1xqq h ARG 72 N 2.40 -0.76 0.00 1.70 2.43 -0.84 -3.39 114.38 115.93 1xqq h ARG 72 Ca -0.45 0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.52 1xqq h ARG 72 Cb 1.23 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.91 1xqq h ARG 72 CO 0.58 -0.50 -1.37 -0.11 -1.51 0.00 0.00 179.97 177.05 1xqq n LEU 73 N -4.43 1.87 -4.22 3.80 7.94 -1.26 -4.72 117.00 115.98 1xqq n LEU 73 Ca -0.10 0.42 -0.42 0.00 -1.11 0.00 0.00 56.01 54.80 1xqq n LEU 73 Cb 0.31 -0.95 -0.00 0.00 0.53 0.00 0.00 43.42 43.31 1xqq n LEU 73 CO 0.24 0.29 2.27 0.54 -1.11 0.00 0.00 177.39 179.61 1xqq n ARG 74 N -4.42 3.02 0.00 1.96 5.12 -1.26 -4.81 116.66 116.26 1xqq n ARG 74 Ca -0.34 -2.98 0.00 0.00 -1.93 0.00 0.00 57.85 52.61 1xqq n ARG 74 Cb 0.69 -3.41 0.00 0.00 -1.16 0.00 0.00 32.46 28.58 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqq n GLY 75 N 4.86 2.71 0.00 -0.13 0.00 -1.26 -4.39 105.19 106.98 1xqq n GLY 75 Ca 0.50 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93