#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 3.70 0.20 3.17 -0.21 -1.25 -1.41 119.66 123.86 1xqq s GLN 2 Ca 0.00 0.53 -0.01 0.00 0.02 0.00 0.00 55.36 55.90 1xqq s GLN 2 Cb 0.00 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 1xqq s GLN 2 CO 0.00 -1.40 0.39 0.96 -2.12 0.00 0.00 175.29 173.12 1xqq s ILE 3 N 4.48 5.20 -0.35 1.08 -4.36 0.36 -1.22 121.20 126.39 1xqq s ILE 3 Ca 0.47 -0.33 -0.12 0.00 -0.26 0.00 0.00 60.65 60.42 1xqq s ILE 3 Cb -0.07 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.92 1xqq s ILE 3 CO 0.31 -0.15 0.22 -0.36 0.24 0.00 0.00 174.94 175.20 1xqq s PHE 4 N -1.85 3.22 -0.52 1.37 0.08 0.11 -0.98 117.98 119.42 1xqq s PHE 4 Ca 0.39 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 1xqq s PHE 4 Cb -0.11 -2.46 0.14 0.00 -0.57 0.00 0.00 43.02 40.01 1xqq s PHE 4 CO 0.29 -0.47 0.34 0.08 -0.10 0.00 0.00 175.22 175.35 1xqq s VAL 5 N 1.66 3.65 -0.13 -0.44 1.01 0.14 -0.61 120.40 125.68 1xqq s VAL 5 Ca 0.05 -2.41 -0.22 0.00 0.00 0.00 0.00 61.98 59.39 1xqq s VAL 5 Cb -0.18 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1xqq s VAL 5 CO 0.09 -0.79 0.68 -0.75 0.00 0.00 0.00 175.10 174.33 1xqq s LYS 6 N 0.64 4.34 0.52 2.72 2.20 0.87 -0.75 119.74 130.28 1xqq s LYS 6 Ca 0.12 0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 56.41 1xqq s LYS 6 Cb -0.22 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1xqq s LYS 6 CO -0.04 -0.08 0.90 0.95 -0.36 0.00 0.00 175.35 176.72 1xqq s THR 7 N 1.34 4.76 0.16 3.43 -4.23 0.20 -0.32 115.64 120.98 1xqq s THR 7 Ca 0.34 0.68 0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1xqq s THR 7 Cb -0.17 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.89 1xqq s THR 7 CO 0.14 -0.86 1.61 0.25 -0.54 0.00 0.00 174.62 175.22 1xqq h LEU 8 N 0.36 0.00 0.88 4.79 5.85 -1.85 -3.32 115.31 122.02 1xqq h LEU 8 Ca -0.46 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1xqq h LEU 8 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1xqq h LEU 8 CO 0.62 0.54 -0.42 0.74 -0.34 0.00 0.00 178.44 179.58 1xqq h THR 9 N 0.00 0.00 0.00 1.05 2.02 -1.94 -3.48 112.91 110.57 1xqq h THR 9 Ca -0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xqq h THR 9 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1xqq h THR 9 CO 0.07 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1xqq n GLY 10 N -1.28 0.00 3.13 2.16 0.00 -1.25 -5.17 105.19 102.78 1xqq n GLY 10 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.80 -0.10 1.61 1.02 -1.26 -4.99 119.74 116.81 1xqq s LYS 11 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.66 1xqq s LYS 11 Cb 0.00 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 1xqq s LYS 11 CO 0.00 -0.20 -0.10 0.99 -0.92 0.00 0.00 175.35 175.12 1xqq s THR 12 N -3.99 1.14 -0.24 2.17 2.01 -1.26 0.62 115.64 116.08 1xqq s THR 12 Ca 0.17 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 1xqq s THR 12 Cb 0.08 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 1xqq s THR 12 CO -0.03 0.38 0.89 -0.63 -0.69 0.00 0.00 174.62 174.54 1xqq s ILE 13 N 1.36 4.78 -0.99 1.82 1.01 0.07 -4.87 121.20 124.39 1xqq s ILE 13 Ca -0.01 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.11 1xqq s ILE 13 Cb -0.14 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1xqq s ILE 13 CO -0.05 -0.12 1.39 0.42 0.00 0.00 0.00 174.94 176.58 1xqq s THR 14 N 2.97 4.03 -0.28 2.92 -4.23 -1.26 -0.69 115.64 119.09 1xqq s THR 14 Ca 0.38 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 59.92 1xqq s THR 14 Cb -0.15 -5.01 -0.03 0.00 1.34 0.00 0.00 72.50 68.66 1xqq s THR 14 CO 0.07 -1.87 0.44 -0.22 -0.54 0.00 0.00 174.62 172.51 1xqq s LEU 15 N 4.68 4.11 -0.49 4.79 2.96 -0.15 -4.84 118.68 129.75 1xqq s LEU 15 Ca 0.43 0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 54.34 1xqq s LEU 15 Cb -0.01 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.18 1xqq s LEU 15 CO -0.08 -0.27 1.09 -1.61 -1.32 0.00 0.00 176.35 174.15 1xqq s GLU 16 N 2.20 3.63 0.43 1.98 2.02 -1.26 -0.49 118.70 127.22 1xqq s GLU 16 Ca 0.17 0.39 0.06 0.00 0.02 0.00 0.00 54.97 55.62 1xqq s GLU 16 Cb -0.16 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.09 1xqq s GLU 16 CO 0.10 -1.39 0.10 0.14 0.02 0.00 0.00 175.26 174.23 1xqq s VAL 17 N 4.33 2.00 0.48 2.63 -7.23 -0.50 -4.89 120.40 117.21 1xqq s VAL 17 Ca 0.44 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1xqq s VAL 17 Cb -0.08 -2.85 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1xqq s VAL 17 CO 0.29 0.00 0.40 -1.61 -0.31 0.00 0.00 175.10 173.87 1xqq s GLU 18 N -3.84 2.37 0.00 4.82 0.41 -1.26 0.94 118.70 122.14 1xqq s GLU 18 Ca 0.34 -1.77 0.18 0.00 -0.41 0.00 0.00 54.97 53.31 1xqq s GLU 18 Cb 0.06 -2.25 0.96 0.00 -1.78 0.00 0.00 34.13 31.13 1xqq s GLU 18 CO 0.18 -0.40 1.49 -2.30 -0.49 0.00 0.00 175.26 173.75 1xqq n PRO 19 N -1.65 0.39 0.05 0.39 -0.02 -1.26 -1.77 135.00 131.14 1xqq n PRO 19 Ca 0.02 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 1xqq n PRO 19 Cb 0.63 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.55 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 -3.73 2.55 0.02 -1.95 -2.17 113.55 108.27 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.09 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.65 1xqq h SER 20 CO 0.00 0.54 0.52 -1.81 -1.14 0.00 0.00 176.83 174.94 1xqq s ASP 21 N -5.86 7.15 0.73 3.07 1.11 -0.73 -4.78 116.67 117.37 1xqq s ASP 21 Ca -0.02 2.32 -0.02 0.00 0.18 0.00 0.00 52.55 55.02 1xqq s ASP 21 Cb 0.09 -2.62 0.13 0.00 1.07 0.00 0.00 42.92 41.58 1xqq s ASP 21 CO 0.80 -0.26 1.01 0.42 1.18 0.00 0.00 175.17 178.32 1xqq s THR 22 N -0.85 2.13 -0.29 -1.27 -4.23 -1.26 -1.26 115.64 108.60 1xqq s THR 22 Ca 0.47 -0.56 0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1xqq s THR 22 Cb -0.33 -2.57 0.16 0.00 1.34 0.00 0.00 72.50 71.10 1xqq s THR 22 CO 0.42 0.00 1.41 0.40 -0.54 0.00 0.00 174.62 176.31 1xqq h ILE 23 N -0.59 0.32 -0.72 2.99 1.08 -1.48 -1.68 117.51 117.43 1xqq h ILE 23 Ca -0.37 -1.47 -0.01 0.00 -0.39 0.00 0.00 64.86 62.62 1xqq h ILE 23 Cb 1.27 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 37.05 1xqq h ILE 23 CO 0.40 0.18 0.40 -0.08 -0.69 0.00 0.00 178.15 178.36 1xqq h GLU 24 N 0.00 0.99 0.00 2.37 4.81 -1.79 -2.10 114.58 118.86 1xqq h GLU 24 Ca -0.01 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 1.17 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1xqq h GLU 24 CO 0.02 0.72 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.87 1xqq h ASN 25 N 1.00 0.00 0.52 1.04 -0.26 -1.71 -2.72 115.58 113.44 1xqq h ASN 25 Ca 0.26 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1xqq h ASN 25 Cb 0.02 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1xqq h ASN 25 CO -0.04 0.25 -0.25 0.58 -1.06 0.00 0.00 177.43 176.91 1xqq h VAL 26 N 0.00 0.40 -0.36 2.81 2.07 -0.95 -2.93 116.25 117.28 1xqq h VAL 26 Ca -0.00 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1xqq h VAL 26 Cb 0.61 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xqq h VAL 26 CO 0.03 0.05 0.26 0.11 0.02 0.00 0.00 177.57 178.04 1xqq h LYS 27 N -0.94 0.01 -0.15 1.57 1.57 -1.42 0.10 116.57 117.32 1xqq h LYS 27 Ca -0.07 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1xqq h LYS 27 Cb 0.61 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1xqq h LYS 27 CO 0.12 0.01 -0.22 0.00 -0.57 0.00 0.00 179.45 178.79 1xqq h ALA 28 N 1.82 0.23 -0.19 3.86 0.00 -1.50 -0.98 119.26 122.49 1xqq h ALA 28 Ca 0.17 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1xqq h ALA 28 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xqq h ALA 28 CO -0.00 0.18 -0.44 0.87 0.00 0.00 0.00 179.25 179.86 1xqq h LYS 29 N 0.03 0.47 0.00 0.00 1.57 -1.22 0.13 116.57 117.54 1xqq h LYS 29 Ca 0.02 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1xqq h LYS 29 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1xqq h LYS 29 CO 0.05 0.82 -0.47 0.82 -0.57 0.00 0.00 179.45 180.09 1xqq h ILE 30 N 0.38 1.06 -0.17 1.86 2.04 -0.82 0.39 117.51 122.25 1xqq h ILE 30 Ca 0.03 -1.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.01 1xqq h ILE 30 Cb 0.92 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1xqq h ILE 30 CO 0.08 0.46 -0.26 -0.61 0.00 0.00 0.00 178.15 177.82 1xqq h GLN 31 N 0.00 0.32 0.49 2.37 4.15 -0.52 -1.21 115.11 120.72 1xqq h GLN 31 Ca -0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1xqq h GLN 31 Cb 1.01 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1xqq h GLN 31 CO 0.06 0.57 -0.24 0.22 -1.93 0.00 0.00 178.83 177.51 1xqq h ASP 32 N 0.29 -0.56 0.00 -0.69 3.58 -0.63 -2.98 116.42 115.43 1xqq h ASP 32 Ca 0.04 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xqq h ASP 32 Cb 0.62 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1xqq h ASP 32 CO 0.04 -0.15 0.00 1.17 -2.88 0.00 0.00 179.24 177.42 1xqq n LYS 33 N -5.23 0.00 0.00 0.28 3.00 0.13 -4.50 118.16 111.85 1xqq n LYS 33 Ca -0.10 0.40 0.06 0.00 -0.00 0.00 0.00 58.31 58.68 1xqq n LYS 33 Cb 0.30 -1.31 -0.12 0.00 0.00 0.00 0.00 35.03 33.89 1xqq n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1xqq n GLU 34 N -1.70 0.65 -0.77 1.64 -0.58 -0.70 -5.00 120.64 114.17 1xqq n GLU 34 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1xqq n GLU 34 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.34 1.32 3.68 0.62 0.00 -0.54 -5.01 105.19 106.60 1xqq n GLY 35 Ca -0.09 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.07 5.29 0.81 -0.61 1.01 -1.23 -4.94 121.20 119.45 1xqq s ILE 36 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 1xqq s ILE 36 Cb 0.00 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.93 1xqq s ILE 36 CO 0.00 0.32 1.10 -2.84 0.00 0.00 0.00 174.94 173.52 1xqq s PRO 37 N 1.04 1.97 0.09 2.79 0.02 -1.26 -3.54 135.00 136.10 1xqq s PRO 37 Ca 0.14 1.21 0.23 0.00 0.02 0.00 0.00 61.00 62.59 1xqq s PRO 37 Cb -0.14 -1.86 0.92 0.00 0.02 0.00 0.00 34.50 33.44 1xqq s PRO 37 CO 0.05 -1.86 1.71 -2.30 -0.33 0.00 0.00 177.00 174.28 1xqq n PRO 38 N -3.67 0.08 0.00 5.54 -0.02 -1.26 -1.53 135.00 134.14 1xqq n PRO 38 Ca 0.09 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1xqq n PRO 38 Cb 0.53 -1.63 0.61 0.00 -0.02 0.00 0.00 33.50 32.99 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xqq n ASP 39 N -1.78 0.00 -0.00 2.55 5.68 -1.26 -3.36 116.55 118.37 1xqq n ASP 39 Ca 0.05 0.20 0.05 0.00 -0.50 0.00 0.00 54.79 54.59 1xqq n ASP 39 Cb 0.28 -0.39 -0.08 0.00 -1.14 0.00 0.00 41.12 39.79 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xqq n GLN 40 N -1.39 0.67 -2.62 0.11 6.02 -0.59 -4.94 117.38 114.64 1xqq n GLN 40 Ca 0.09 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1xqq n GLN 40 Cb 0.25 -1.23 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 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 -2.66 3.64 0.13 -1.09 -0.21 -1.01 -3.54 119.66 114.92 1xqq s GLN 41 Ca -0.03 0.42 0.04 0.00 0.02 0.00 0.00 55.36 55.81 1xqq s GLN 41 Cb 0.07 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1xqq s GLN 41 CO 0.44 -1.46 0.14 1.03 -2.12 0.00 0.00 175.29 173.33 1xqq s ARG 42 N 4.52 2.98 0.01 2.91 0.52 -1.17 -4.94 118.95 123.79 1xqq s ARG 42 Ca 0.45 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 1xqq s ARG 42 Cb -0.08 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1xqq s ARG 42 CO 0.29 0.52 -0.17 -0.51 0.02 0.00 0.00 175.30 175.46 1xqq s LEU 43 N -2.87 2.08 0.23 2.53 1.43 -1.26 -1.45 118.68 119.36 1xqq s LEU 43 Ca 0.31 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 43 Cb -0.11 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1xqq s LEU 43 CO 0.24 0.16 -0.03 0.27 0.23 0.00 0.00 176.35 177.22 1xqq s ILE 44 N -0.55 1.18 0.00 -0.59 -4.36 -0.98 -1.31 121.20 114.59 1xqq s ILE 44 Ca 0.06 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1xqq s ILE 44 Cb -0.07 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1xqq s ILE 44 CO 0.00 -0.38 0.00 0.33 0.24 0.00 0.00 174.94 175.14 1xqq n PHE 45 N -0.42 0.00 -0.05 1.37 7.35 -0.71 -1.05 117.46 123.94 1xqq n PHE 45 Ca -0.06 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.57 1xqq n PHE 45 Cb 0.63 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.44 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 -2.76 1.18 -0.02 3.13 0.00 -1.26 -4.06 120.51 116.72 1xqq n ALA 46 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 1xqq n ALA 46 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 1.87 -0.07 3.71 0.00 0.00 -1.26 -5.07 105.19 104.38 1xqq n GLY 47 Ca -0.09 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.07 4.35 -0.21 1.61 2.47 -1.26 -5.00 119.74 119.63 1xqq s LYS 48 Ca -0.04 1.93 -0.29 0.00 -1.56 0.00 0.00 55.97 56.01 1xqq s LYS 48 Cb 0.01 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 33.02 1xqq s LYS 48 CO 0.09 -0.40 1.29 -1.14 0.16 0.00 0.00 175.35 175.34 1xqq s GLN 49 N 1.36 4.11 0.13 4.03 0.74 -1.26 -1.74 119.66 127.03 1xqq s GLN 49 Ca 0.62 1.52 -0.30 0.00 0.05 0.00 0.00 55.36 57.25 1xqq s GLN 49 Cb -0.33 -3.81 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 1xqq s GLN 49 CO 0.29 -0.86 1.23 -0.51 -0.55 0.00 0.00 175.29 174.89 1xqq s LEU 50 N 3.85 4.41 0.22 3.68 1.43 -0.42 -4.96 118.68 126.88 1xqq s LEU 50 Ca 0.56 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1xqq s LEU 50 Cb -0.20 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1xqq s LEU 50 CO 0.18 -0.45 0.40 -1.61 0.23 0.00 0.00 176.35 175.09 1xqq s GLU 51 N 0.39 3.50 0.00 1.70 2.02 -1.26 -4.62 118.70 120.44 1xqq s GLU 51 Ca 0.57 -0.40 -0.20 0.00 0.02 0.00 0.00 54.97 54.96 1xqq s GLU 51 Cb -0.32 -2.83 -0.11 0.00 0.10 0.00 0.00 34.13 30.96 1xqq s GLU 51 CO 0.33 0.39 0.96 -0.44 0.02 0.00 0.00 175.26 176.51 1xqq h ASP 52 N 1.80 -0.60 -0.34 -0.19 3.32 -1.95 -3.38 116.42 115.08 1xqq h ASP 52 Ca -0.49 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1xqq h ASP 52 Cb 1.20 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 1xqq h ASP 52 CO 0.67 -0.30 0.06 0.61 -1.72 0.00 0.00 179.24 178.56 1xqq n GLY 53 N -0.39 2.45 3.54 2.75 0.00 -1.26 -2.34 105.19 109.95 1xqq n GLY 53 Ca -0.09 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.89 1.95 0.60 1.61 0.52 -1.26 -4.97 118.95 115.51 1xqq s ARG 54 Ca 0.29 -1.41 -0.07 0.00 -0.52 0.00 0.00 55.73 54.01 1xqq s ARG 54 Cb 0.22 -2.05 -0.00 0.00 0.52 0.00 0.00 34.95 33.65 1xqq s ARG 54 CO 0.08 0.40 0.93 0.95 0.02 0.00 0.00 175.30 177.68 1xqq s THR 55 N -1.93 3.89 -0.67 0.02 -4.23 -1.26 -3.40 115.64 108.06 1xqq s THR 55 Ca 0.26 0.19 0.23 0.00 -1.18 0.00 0.00 61.69 61.19 1xqq s THR 55 Cb -0.08 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.45 1xqq s THR 55 CO 0.15 -0.61 1.71 0.18 -0.54 0.00 0.00 174.62 175.51 1xqq n LEU 56 N -2.63 0.55 -0.09 4.79 4.77 -0.39 -1.88 117.00 122.12 1xqq n LEU 56 Ca 0.04 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1xqq n LEU 56 Cb 0.57 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xqq n LEU 56 CO 0.54 -0.37 0.52 -1.28 -1.33 0.00 0.00 177.39 175.47 1xqq h SER 57 N 0.00 0.92 -0.77 -1.43 0.87 -1.68 -0.92 113.55 110.54 1xqq h SER 57 Ca 0.00 -0.44 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1xqq h SER 57 Cb 0.45 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1xqq h SER 57 CO 0.00 1.22 0.30 -0.78 -0.53 0.00 0.00 176.83 177.04 1xqq h ASP 58 N 0.68 1.07 0.87 6.23 3.58 -1.64 -3.02 116.42 124.19 1xqq h ASP 58 Ca 0.04 -0.18 -0.22 0.00 0.42 0.00 0.00 57.03 57.10 1xqq h ASP 58 Cb 1.02 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1xqq h ASP 58 CO 0.10 0.96 -1.03 1.88 -2.88 0.00 0.00 179.24 178.27 1xqq h TYR 59 N 1.12 0.13 -3.55 0.28 0.05 -1.47 -3.48 116.97 110.05 1xqq h TYR 59 Ca 0.26 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 1xqq h TYR 59 Cb 0.22 -0.01 0.07 0.00 1.01 0.00 0.00 36.73 38.02 1xqq h TYR 59 CO 0.02 1.04 -0.29 0.09 -1.05 0.00 0.00 178.16 177.97 1xqq n ASN 60 N -3.43 -2.69 -4.43 3.88 3.02 -0.39 -5.04 115.26 106.19 1xqq n ASN 60 Ca -0.02 -0.24 -0.44 0.00 -0.03 0.00 0.00 54.58 53.85 1xqq n ASN 60 Cb 0.94 -2.19 -0.08 0.00 -0.61 0.00 0.00 39.78 37.84 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 -3.13 5.16 0.00 2.41 1.01 -0.98 -5.05 121.20 120.62 1xqq s ILE 61 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1xqq s ILE 61 Cb -0.01 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1xqq s ILE 61 CO 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 174.94 174.67 1xqq n GLN 62 N 5.42 1.85 -2.06 2.79 6.02 -1.26 -4.77 117.38 125.36 1xqq n GLN 62 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 1xqq n GLN 62 Cb 0.45 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.69 1xqq n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xqq s LYS 63 N -0.35 4.30 -0.98 -1.09 2.20 -1.26 -3.41 119.74 119.14 1xqq s LYS 63 Ca 0.00 2.24 -0.06 0.00 -0.36 0.00 0.00 55.97 57.79 1xqq s LYS 63 Cb 0.00 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1xqq s LYS 63 CO 0.00 -0.36 0.86 0.39 -0.36 0.00 0.00 175.35 175.88 1xqq n GLU 64 N 2.16 -5.77 -4.16 4.03 1.02 -0.36 -5.01 120.64 112.56 1xqq n GLU 64 Ca 0.06 0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 57.50 1xqq n GLU 64 Cb 0.41 -4.98 -0.08 0.00 -0.02 0.00 0.00 31.44 26.77 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 -3.30 4.97 -0.42 1.62 0.15 -1.22 -4.81 113.70 110.68 1xqq s SER 65 Ca 0.39 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 1xqq s SER 65 Cb -0.17 -1.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.99 1xqq s SER 65 CO 0.53 0.18 0.41 -0.89 1.20 0.00 0.00 173.24 174.68 1xqq s THR 66 N -1.28 5.13 0.17 6.45 2.01 -1.26 0.09 115.64 126.95 1xqq s THR 66 Ca 0.25 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1xqq s THR 66 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1xqq s THR 66 CO 0.17 -0.42 0.08 -0.76 -0.69 0.00 0.00 174.62 173.00 1xqq s LEU 67 N 2.01 3.58 -0.04 4.42 1.43 0.22 -4.71 118.68 125.59 1xqq s LEU 67 Ca 0.10 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1xqq s LEU 67 Cb -0.18 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1xqq s LEU 67 CO 0.12 0.07 -0.25 -1.00 0.23 0.00 0.00 176.35 175.52 1xqq s HIS 68 N -1.77 2.36 -0.43 0.29 3.76 -0.22 -0.09 115.29 119.19 1xqq s HIS 68 Ca 0.29 -0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 54.41 1xqq s HIS 68 Cb -0.10 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.08 1xqq s HIS 68 CO 0.21 -0.14 0.64 -1.17 -0.85 0.00 0.00 174.74 173.44 1xqq s LEU 69 N -0.35 4.48 0.19 0.89 2.96 0.57 -2.32 118.68 125.10 1xqq s LEU 69 Ca 0.02 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 1xqq s LEU 69 Cb -0.12 -2.73 -0.08 0.00 0.50 0.00 0.00 46.19 43.76 1xqq s LEU 69 CO 0.02 -0.77 0.64 -0.69 -1.32 0.00 0.00 176.35 174.23 1xqq s VAL 70 N 2.81 4.71 0.43 1.68 1.01 -0.53 -3.52 120.40 126.99 1xqq s VAL 70 Ca 0.23 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.34 1xqq s VAL 70 Cb -0.14 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1xqq s VAL 70 CO 0.19 0.22 0.38 -0.76 0.00 0.00 0.00 175.10 175.13 1xqq s LEU 71 N -1.98 3.34 0.33 3.92 1.43 -1.26 -3.02 118.68 121.43 1xqq s LEU 71 Ca 0.41 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1xqq s LEU 71 Cb -0.16 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1xqq s LEU 71 CO 0.20 -0.69 0.20 -0.60 0.23 0.00 0.00 176.35 175.69 1xqq s ARG 72 N -4.14 2.53 -0.12 1.70 3.52 -1.23 -4.85 118.95 116.37 1xqq s ARG 72 Ca 0.47 -1.42 -0.07 0.00 -0.13 0.00 0.00 55.73 54.58 1xqq s ARG 72 Cb -0.03 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1xqq s ARG 72 CO 0.28 0.13 -0.14 1.25 -0.81 0.00 0.00 175.30 176.00 1xqq h LEU 73 N 1.44 0.00 0.00 -0.88 5.85 -1.98 -3.51 115.31 116.22 1xqq h LEU 73 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1xqq h LEU 73 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1xqq h LEU 73 CO 0.61 0.63 0.00 -1.14 -0.34 0.00 0.00 178.44 178.20 1xqq n ARG 74 N -4.29 0.00 -3.82 1.25 3.00 -1.26 -5.09 116.66 106.46 1xqq n ARG 74 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.43 1xqq n ARG 74 Cb 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.54 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xqq s GLY 75 N 0.00 1.71 0.00 5.14 0.00 -1.26 -5.09 107.32 107.82 1xqq s GLY 75 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1xqq s GLY 75 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.20