#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 2.26 0.25 3.17 -0.21 -1.26 0.77 119.66 124.64 1xqq s GLN 2 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.50 1xqq s GLN 2 Cb 0.00 -2.32 -0.00 0.00 1.00 0.00 0.00 33.01 31.69 1xqq s GLN 2 CO 0.00 0.56 0.03 0.44 -2.12 0.00 0.00 175.29 174.20 1xqq n ILE 3 N 1.46 0.00 -4.61 1.08 -5.35 -1.13 -0.12 119.36 110.69 1xqq n ILE 3 Ca -0.16 -1.28 -0.22 0.00 -0.27 0.00 0.00 62.75 60.83 1xqq n ILE 3 Cb 0.52 0.33 -0.15 0.00 -1.74 0.00 0.00 39.64 38.60 1xqq n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xqq s PHE 4 N -2.11 1.21 -0.08 4.28 0.08 -0.05 -2.45 117.98 118.86 1xqq s PHE 4 Ca 0.04 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.87 1xqq s PHE 4 Cb 0.00 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1xqq s PHE 4 CO 0.03 -0.02 -0.11 0.08 -0.10 0.00 0.00 175.22 175.10 1xqq s VAL 5 N -0.34 3.33 -0.34 -0.44 1.01 -0.37 -1.09 120.40 122.17 1xqq s VAL 5 Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1xqq s VAL 5 Cb -0.05 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1xqq s VAL 5 CO -0.00 0.58 0.23 -0.75 0.00 0.00 0.00 175.10 175.15 1xqq s LYS 6 N -0.49 3.46 0.00 2.72 2.20 0.12 -1.08 119.74 126.68 1xqq s LYS 6 Ca 0.07 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1xqq s LYS 6 Cb -0.12 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1xqq s LYS 6 CO 0.02 -0.45 0.00 0.25 -0.36 0.00 0.00 175.35 174.81 1xqq n THR 7 N 5.09 0.00 0.32 3.43 -2.24 -1.04 -0.67 114.28 119.16 1xqq n THR 7 Ca -0.13 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1xqq n THR 7 Cb 0.50 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 1xqq n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xqq h LEU 8 N 0.00 -0.67 0.02 3.22 3.38 -1.92 -3.31 115.31 116.03 1xqq h LEU 8 Ca 0.00 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1xqq h LEU 8 Cb 0.00 0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xqq h LEU 8 CO 0.00 -0.40 -0.89 0.71 0.09 0.00 0.00 178.44 177.95 1xqq h THR 9 N -0.91 1.35 0.00 0.22 1.35 -1.94 -3.49 112.91 109.49 1xqq h THR 9 Ca -0.08 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1xqq h THR 9 Cb 0.65 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1xqq h THR 9 CO 0.13 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1xqq n GLY 10 N 1.15 0.70 2.82 5.82 0.00 -1.25 -5.16 105.19 109.27 1xqq n GLY 10 Ca -0.11 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.06 0.65 -0.29 1.61 2.20 -1.26 -4.92 119.74 117.68 1xqq s LYS 11 Ca 0.00 0.03 -0.22 0.00 -0.36 0.00 0.00 55.97 55.42 1xqq s LYS 11 Cb 0.00 -0.87 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 1xqq s LYS 11 CO 0.00 -0.21 0.71 0.99 -0.36 0.00 0.00 175.35 176.49 1xqq s THR 12 N 1.50 4.88 0.07 3.43 2.01 -1.26 -2.50 115.64 123.77 1xqq s THR 12 Ca -0.02 1.12 0.06 0.00 0.31 0.00 0.00 61.69 63.15 1xqq s THR 12 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1xqq s THR 12 CO -0.03 -0.14 -0.08 0.27 -0.69 0.00 0.00 174.62 173.95 1xqq s ILE 13 N 2.75 3.55 -0.11 1.82 -4.36 -0.24 -4.91 121.20 119.70 1xqq s ILE 13 Ca 0.29 -1.07 -0.10 0.00 -0.26 0.00 0.00 60.65 59.52 1xqq s ILE 13 Cb -0.15 -2.62 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 1xqq s ILE 13 CO 0.11 0.21 0.21 -0.89 0.24 0.00 0.00 174.94 174.82 1xqq s THR 14 N -1.16 5.38 0.22 8.37 2.01 -1.26 -1.23 115.64 127.96 1xqq s THR 14 Ca 0.21 0.37 0.09 0.00 0.31 0.00 0.00 61.69 62.67 1xqq s THR 14 Cb -0.11 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1xqq s THR 14 CO 0.12 0.56 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.69 1xqq s LEU 15 N -0.69 2.54 -0.11 4.42 1.43 -1.03 -4.98 118.68 120.27 1xqq s LEU 15 Ca 0.16 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1xqq s LEU 15 Cb -0.13 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1xqq s LEU 15 CO 0.05 -0.09 -0.19 -0.70 0.23 0.00 0.00 176.35 175.66 1xqq s GLU 16 N -3.44 2.56 0.20 1.70 2.12 -1.26 -2.86 118.70 117.72 1xqq s GLU 16 Ca 0.23 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 1xqq s GLU 16 Cb -0.03 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 1xqq s GLU 16 CO 0.09 0.01 0.11 0.14 -0.54 0.00 0.00 175.26 175.07 1xqq s VAL 17 N 0.76 0.11 0.21 3.70 -7.23 0.23 -4.95 120.40 113.23 1xqq s VAL 17 Ca -0.10 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1xqq s VAL 17 Cb -0.16 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1xqq s VAL 17 CO 0.01 -0.08 0.07 -1.61 -0.31 0.00 0.00 175.10 173.18 1xqq s GLU 18 N -4.12 2.59 0.33 4.82 0.41 -1.26 -0.73 118.70 120.74 1xqq s GLU 18 Ca 0.36 -1.11 0.26 0.00 -0.41 0.00 0.00 54.97 54.07 1xqq s GLU 18 Cb 0.07 -2.42 1.04 0.00 -1.78 0.00 0.00 34.13 31.04 1xqq s GLU 18 CO 0.11 0.43 1.78 -1.00 -0.49 0.00 0.00 175.26 176.09 1xqq h PRO 19 N 2.21 0.00 0.00 0.39 0.13 -1.96 -2.18 132.00 130.60 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xqq h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xqq h PRO 19 CO 0.60 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.14 1xqq h SER 20 N 0.00 0.00 -3.82 1.44 0.02 -1.96 -1.10 113.55 108.13 1xqq h SER 20 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1xqq h SER 20 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1xqq h SER 20 CO 0.00 0.00 0.41 -1.81 -1.14 0.00 0.00 176.83 174.29 1xqq s ASP 21 N -4.56 7.33 0.96 3.07 1.01 -0.82 -4.76 116.67 118.90 1xqq s ASP 21 Ca 0.05 2.09 -0.12 0.00 0.71 0.00 0.00 52.55 55.28 1xqq s ASP 21 Cb 0.10 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.58 1xqq s ASP 21 CO 0.47 -0.09 1.10 0.42 0.21 0.00 0.00 175.17 177.28 1xqq s THR 22 N -1.28 2.21 0.22 -1.27 -4.23 -1.26 -1.38 115.64 108.65 1xqq s THR 22 Ca 0.46 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 1xqq s THR 22 Cb -0.27 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1xqq s THR 22 CO 0.35 -0.09 1.81 0.40 -0.54 0.00 0.00 174.62 176.54 1xqq h ILE 23 N -1.76 1.25 -0.92 2.99 1.08 -1.02 -1.29 117.51 117.86 1xqq h ILE 23 Ca -0.53 -0.72 0.25 0.00 -0.39 0.00 0.00 64.86 63.47 1xqq h ILE 23 Cb 1.32 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1xqq h ILE 23 CO 0.58 0.31 0.64 -0.08 -0.69 0.00 0.00 178.15 178.90 1xqq h GLU 24 N 1.16 0.13 0.00 2.37 4.81 -1.66 -0.04 114.58 121.36 1xqq h GLU 24 Ca 0.28 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.29 1xqq h GLU 24 Cb 0.12 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1xqq h GLU 24 CO -0.03 0.09 -1.07 -0.91 -0.73 0.00 0.00 179.01 176.35 1xqq h ASN 25 N 0.14 0.00 0.37 1.04 2.35 -1.57 -2.08 115.58 115.84 1xqq h ASN 25 Ca 0.46 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.19 1xqq h ASN 25 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.94 1xqq h ASN 25 CO -0.08 0.94 -0.18 0.58 -1.65 0.00 0.00 177.43 177.05 1xqq h VAL 26 N 0.00 0.64 -0.84 2.81 2.07 -0.53 -1.00 116.25 119.40 1xqq h VAL 26 Ca -0.06 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1xqq h VAL 26 Cb 1.77 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1xqq h VAL 26 CO 0.11 0.04 0.55 0.11 0.02 0.00 0.00 177.57 178.40 1xqq h LYS 27 N -0.61 0.81 -0.43 1.57 1.57 -1.10 -1.30 116.57 117.08 1xqq h LYS 27 Ca -0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1xqq h LYS 27 Cb 0.45 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1xqq h LYS 27 CO 0.08 0.54 0.04 0.00 -0.57 0.00 0.00 179.45 179.54 1xqq h ALA 28 N 1.57 1.27 0.00 3.86 0.00 -0.92 0.10 119.26 125.14 1xqq h ALA 28 Ca 0.38 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xqq h ALA 28 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xqq h ALA 28 CO -0.15 0.50 -0.53 0.87 0.00 0.00 0.00 179.25 179.94 1xqq h LYS 29 N 0.64 0.00 -0.12 0.00 1.57 -0.12 -0.41 116.57 118.12 1xqq h LYS 29 Ca 0.14 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1xqq h LYS 29 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xqq h LYS 29 CO 0.01 0.53 -0.50 0.82 -0.57 0.00 0.00 179.45 179.73 1xqq h ILE 30 N 0.00 1.35 0.00 1.86 2.04 -0.89 -2.10 117.51 119.77 1xqq h ILE 30 Ca -0.01 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 1xqq h ILE 30 Cb 0.99 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1xqq h ILE 30 CO 0.07 0.55 -0.26 -0.61 0.00 0.00 0.00 178.15 177.90 1xqq h GLN 31 N 0.17 0.00 0.07 2.37 4.15 -0.65 0.29 115.11 121.51 1xqq h GLN 31 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xqq h GLN 31 Cb 1.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1xqq h GLN 31 CO 0.11 0.26 -0.03 0.22 -1.93 0.00 0.00 178.83 177.45 1xqq h ASP 32 N 0.00 -0.08 0.30 -0.69 1.82 -1.11 -3.21 116.42 113.45 1xqq h ASP 32 Ca -0.00 -0.46 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 1xqq h ASP 32 Cb 0.59 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1xqq h ASP 32 CO 0.03 0.45 -0.14 0.50 -1.61 0.00 0.00 179.24 178.47 1xqq h LYS 33 N -0.64 -0.39 0.00 0.28 1.63 -1.07 -3.39 116.57 112.98 1xqq h LYS 33 Ca -0.01 0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.62 1xqq h LYS 33 Cb 0.54 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 1xqq h LYS 33 CO 0.02 -0.26 -1.88 0.39 -3.45 0.00 0.00 179.45 174.26 1xqq n GLU 34 N -3.36 0.65 0.00 1.90 -0.58 0.10 -5.01 120.64 114.35 1xqq n GLU 34 Ca -0.05 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xqq n GLU 34 Cb 0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.49 1.42 3.66 0.62 0.00 -1.17 -5.05 105.19 106.16 1xqq n GLY 35 Ca -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.36 1xqq n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xqq n ILE 36 N -0.12 0.21 -0.88 -0.61 5.41 -1.26 -4.85 119.36 117.26 1xqq n ILE 36 Ca 0.00 -0.04 -0.30 0.00 1.00 0.00 0.00 62.75 63.41 1xqq n ILE 36 Cb 0.00 -1.41 0.17 0.00 -0.71 0.00 0.00 39.64 37.69 1xqq n ILE 36 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1xqq s PRO 37 N 2.14 0.66 0.29 0.38 0.02 -1.26 -3.97 135.00 133.26 1xqq s PRO 37 Ca 0.87 1.07 0.25 0.00 0.02 0.00 0.00 61.00 63.21 1xqq s PRO 37 Cb -0.81 -1.72 0.57 0.00 0.02 0.00 0.00 34.50 32.55 1xqq s PRO 37 CO 0.48 -2.72 1.65 -1.00 -0.33 0.00 0.00 177.00 175.09 1xqq h PRO 38 N -1.91 0.00 -0.00 5.54 0.13 -1.92 -3.21 132.00 130.63 1xqq h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xqq h PRO 38 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xqq h PRO 38 CO 0.49 0.00 -0.16 -0.40 -0.23 0.00 0.00 178.00 177.70 1xqq n ASP 39 N -2.59 0.62 0.02 1.44 5.75 -1.26 -2.48 116.55 118.06 1xqq n ASP 39 Ca 0.05 -0.63 -0.05 0.00 -0.01 0.00 0.00 54.79 54.15 1xqq n ASP 39 Cb 0.47 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.45 1xqq n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1xqq h GLN 40 N 0.73 0.00 -5.71 0.11 4.20 -1.84 -3.44 115.11 109.16 1xqq h GLN 40 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1xqq h GLN 40 Cb 0.41 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 1xqq h GLN 40 CO 0.00 0.51 0.19 -0.65 -0.67 0.00 0.00 178.83 178.21 1xqq s GLN 41 N -2.75 4.22 -0.23 1.46 -0.21 -1.04 -0.28 119.66 120.83 1xqq s GLN 41 Ca -0.02 0.71 -0.02 0.00 0.02 0.00 0.00 55.36 56.04 1xqq s GLN 41 Cb 0.08 -3.58 0.02 0.00 1.00 0.00 0.00 33.01 30.53 1xqq s GLN 41 CO 0.81 -0.28 -0.07 0.50 -2.12 0.00 0.00 175.29 174.13 1xqq s ARG 42 N 2.03 3.01 -0.37 2.91 3.52 -0.61 -4.83 118.95 124.60 1xqq s ARG 42 Ca 0.31 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.90 1xqq s ARG 42 Cb -0.16 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1xqq s ARG 42 CO 0.10 -0.32 0.30 -1.17 -0.81 0.00 0.00 175.30 173.41 1xqq s LEU 43 N 1.36 4.75 -0.05 -0.88 2.96 -1.26 0.64 118.68 126.21 1xqq s LEU 43 Ca 0.02 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1xqq s LEU 43 Cb -0.15 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1xqq s LEU 43 CO -0.05 -0.37 0.16 -0.63 -1.32 0.00 0.00 176.35 174.14 1xqq s ILE 44 N 1.80 5.39 0.00 6.68 -1.09 -0.59 -2.01 121.20 131.38 1xqq s ILE 44 Ca 0.07 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1xqq s ILE 44 Cb -0.18 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1xqq s ILE 44 CO 0.11 0.43 0.00 0.33 -1.23 0.00 0.00 174.94 174.58 1xqq n PHE 45 N 1.34 0.00 -0.12 3.97 7.35 -1.05 -1.69 117.46 127.27 1xqq n PHE 45 Ca -0.14 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.31 1xqq n PHE 45 Cb 0.53 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.28 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 -3.00 1.50 -1.54 3.13 0.00 -1.26 -4.54 120.51 114.79 1xqq n ALA 46 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1xqq n ALA 46 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 1.63 -0.66 3.48 0.00 0.00 -1.26 -5.06 105.19 103.32 1xqq n GLY 47 Ca -0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N 0.00 3.07 0.45 1.61 2.20 -1.26 -5.10 119.74 120.71 1xqq s LYS 48 Ca 0.00 -0.62 -0.22 0.00 -0.36 0.00 0.00 55.97 54.77 1xqq s LYS 48 Cb 0.00 -2.62 -0.08 0.00 -1.51 0.00 0.00 37.83 33.62 1xqq s LYS 48 CO 0.00 0.43 1.05 1.14 -0.36 0.00 0.00 175.35 177.62 1xqq s GLN 49 N -0.20 3.91 -0.16 4.03 -2.07 -1.26 -2.52 119.66 121.39 1xqq s GLN 49 Ca 0.02 1.45 -0.18 0.00 -1.82 0.00 0.00 55.36 54.83 1xqq s GLN 49 Cb -0.13 -2.27 -0.04 0.00 -1.09 0.00 0.00 33.01 29.48 1xqq s GLN 49 CO 0.03 -0.35 0.50 -0.51 -1.32 0.00 0.00 175.29 173.63 1xqq s LEU 50 N -3.16 4.21 0.05 2.60 1.43 -0.85 -4.96 118.68 117.99 1xqq s LEU 50 Ca 0.64 0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 1xqq s LEU 50 Cb -0.19 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1xqq s LEU 50 CO 0.24 -0.09 0.99 -0.70 0.23 0.00 0.00 176.35 177.02 1xqq s GLU 51 N 1.14 4.60 0.16 1.70 2.12 -1.26 -4.76 118.70 122.40 1xqq s GLU 51 Ca 0.25 1.47 -0.20 0.00 0.36 0.00 0.00 54.97 56.84 1xqq s GLU 51 Cb -0.15 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.88 1xqq s GLU 51 CO 0.10 0.04 1.64 -0.44 -0.54 0.00 0.00 175.26 176.06 1xqq h ASP 52 N 6.29 -0.61 -0.11 -1.70 3.32 -1.96 -2.21 116.42 119.44 1xqq h ASP 52 Ca -0.42 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xqq h ASP 52 Cb 1.22 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1xqq h ASP 52 CO 0.74 -0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1xqq n GLY 53 N -1.35 -0.50 3.92 2.75 0.00 -1.26 -1.87 105.19 106.88 1xqq n GLY 53 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.86 3.30 0.51 1.61 1.81 -0.83 -4.90 118.95 118.58 1xqq s ARG 54 Ca 0.09 -0.79 -0.09 0.00 -1.72 0.00 0.00 55.73 53.21 1xqq s ARG 54 Cb 0.05 -2.82 -0.05 0.00 -0.45 0.00 0.00 34.95 31.67 1xqq s ARG 54 CO 0.06 0.45 0.87 0.95 -0.68 0.00 0.00 175.30 176.95 1xqq s THR 55 N -1.95 4.78 0.42 0.02 -4.23 -1.26 -1.44 115.64 111.98 1xqq s THR 55 Ca 0.34 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.56 1xqq s THR 55 Cb -0.09 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.14 1xqq s THR 55 CO 0.28 -0.84 2.00 -0.07 -0.54 0.00 0.00 174.62 175.45 1xqq h LEU 56 N 0.40 0.24 -0.49 4.79 3.38 -1.26 -2.76 115.31 119.60 1xqq h LEU 56 Ca -0.46 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1xqq h LEU 56 Cb 1.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1xqq h LEU 56 CO 0.62 0.30 0.27 -1.28 0.09 0.00 0.00 178.44 178.44 1xqq h SER 57 N 0.26 0.40 -0.04 -0.43 0.87 -1.44 0.11 113.55 113.28 1xqq h SER 57 Ca 0.06 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1xqq h SER 57 Cb 0.19 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1xqq h SER 57 CO 0.00 0.28 -0.37 -0.78 -0.53 0.00 0.00 176.83 175.44 1xqq h ASP 58 N 0.52 0.57 0.00 6.23 3.58 -1.78 -0.55 116.42 124.99 1xqq h ASP 58 Ca 0.21 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xqq h ASP 58 Cb 0.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1xqq h ASP 58 CO -0.13 0.89 0.00 -1.22 -2.88 0.00 0.00 179.24 175.90 1xqq n TYR 59 N -4.05 0.00 -4.49 0.28 4.01 -1.16 -4.89 117.16 106.86 1xqq n TYR 59 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1xqq n TYR 59 Cb 0.49 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N -0.86 -1.75 -4.69 7.72 5.15 -0.22 -4.91 115.26 115.71 1xqq n ASN 60 Ca 0.17 -1.23 -0.42 0.00 -0.60 0.00 0.00 54.58 52.50 1xqq n ASN 60 Cb 0.08 -1.73 -0.03 0.00 -0.53 0.00 0.00 39.78 37.57 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.35 4.16 0.35 -1.44 1.01 0.35 -4.99 121.20 117.29 1xqq s ILE 61 Ca 0.75 1.51 0.09 0.00 0.00 0.00 0.00 60.65 63.00 1xqq s ILE 61 Cb -0.44 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1xqq s ILE 61 CO 1.02 0.02 0.05 -1.10 0.00 0.00 0.00 174.94 174.93 1xqq s GLN 62 N 2.03 2.14 0.86 2.79 -0.21 -1.26 -4.56 119.66 121.45 1xqq s GLN 62 Ca 0.57 -1.74 -0.13 0.00 0.02 0.00 0.00 55.36 54.08 1xqq s GLN 62 Cb -0.26 -1.96 0.05 0.00 1.00 0.00 0.00 33.01 31.84 1xqq s GLN 62 CO 0.24 0.09 0.75 0.36 -2.12 0.00 0.00 175.29 174.61 1xqq n LYS 63 N -1.02 -0.08 -0.88 2.91 2.85 -1.26 -4.06 118.16 116.62 1xqq n LYS 63 Ca -0.04 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1xqq n LYS 63 Cb 0.63 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N -2.30 -0.01 -3.18 -1.58 1.02 0.83 -4.95 120.64 110.47 1xqq n GLU 64 Ca 0.10 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 1xqq n GLU 64 Cb 0.52 -3.01 -0.02 0.00 -0.02 0.00 0.00 31.44 28.91 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 -2.73 6.36 -0.32 1.62 0.15 -1.26 -4.68 113.70 112.84 1xqq s SER 65 Ca 0.00 0.70 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 1xqq s SER 65 Cb 0.00 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1xqq s SER 65 CO 0.00 -0.32 0.24 -0.89 1.20 0.00 0.00 173.24 173.48 1xqq s THR 66 N -2.31 5.28 0.11 6.45 2.01 -1.26 -0.87 115.64 125.05 1xqq s THR 66 Ca 0.44 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1xqq s THR 66 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1xqq s THR 66 CO 0.35 0.06 0.25 -0.76 -0.69 0.00 0.00 174.62 173.83 1xqq s LEU 67 N 1.78 4.35 0.00 4.42 1.43 -0.25 -4.94 118.68 125.48 1xqq s LEU 67 Ca 0.07 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1xqq s LEU 67 Cb -0.17 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1xqq s LEU 67 CO 0.11 0.11 -0.18 -1.00 0.23 0.00 0.00 176.35 175.62 1xqq s HIS 68 N -1.63 2.57 -0.30 0.29 3.76 -0.68 -0.70 115.29 118.60 1xqq s HIS 68 Ca 0.35 -0.25 -0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1xqq s HIS 68 Cb -0.12 -1.52 0.03 0.00 1.11 0.00 0.00 32.58 32.08 1xqq s HIS 68 CO 0.28 0.19 0.04 -1.17 -0.85 0.00 0.00 174.74 173.24 1xqq s LEU 69 N -1.08 3.90 -0.11 0.89 2.96 0.15 -1.54 118.68 123.84 1xqq s LEU 69 Ca 0.13 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1xqq s LEU 69 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1xqq s LEU 69 CO 0.03 -0.24 0.08 -0.69 -1.32 0.00 0.00 176.35 174.21 1xqq s VAL 70 N 1.38 5.01 0.10 1.68 1.01 0.21 -3.92 120.40 125.86 1xqq s VAL 70 Ca -0.01 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 1xqq s VAL 70 Cb -0.18 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 1xqq s VAL 70 CO 0.01 0.60 1.52 -0.22 0.00 0.00 0.00 175.10 177.01 1xqq s LEU 71 N -0.84 4.36 -0.18 3.92 2.96 -1.26 -1.58 118.68 126.06 1xqq s LEU 71 Ca 0.13 2.44 -0.17 0.00 -0.22 0.00 0.00 54.13 56.31 1xqq s LEU 71 Cb -0.12 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1xqq s LEU 71 CO 0.03 -0.78 0.42 -0.60 -1.32 0.00 0.00 176.35 174.10 1xqq s ARG 72 N 1.73 4.22 0.00 1.98 3.52 0.62 -4.86 118.95 126.16 1xqq s ARG 72 Ca 0.69 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1xqq s ARG 72 Cb -0.39 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 1xqq s ARG 72 CO 0.31 0.02 0.03 1.28 -0.81 0.00 0.00 175.30 176.13 1xqq n LEU 73 N 4.25 1.45 -0.12 -0.88 4.77 -1.26 -4.71 117.00 120.50 1xqq n LEU 73 Ca -0.08 0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 1xqq n LEU 73 Cb 0.51 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1xqq n LEU 73 CO 0.41 -0.25 -1.30 0.54 -1.33 0.00 0.00 177.39 175.46 1xqq n ARG 74 N -1.24 0.50 -3.43 3.23 1.74 -1.26 -5.09 116.66 111.11 1xqq n ARG 74 Ca 0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1xqq n ARG 74 Cb 0.00 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 1.52 -1.80 0.60 -0.13 0.00 -1.26 -5.19 105.19 98.93 1xqq n GLY 75 Ca -0.46 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 44.57 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93