#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 4.02 0.19 3.17 0.74 -1.26 -1.35 119.66 125.17 1xqq s GLN 2 Ca 0.00 -0.12 0.11 0.00 0.05 0.00 0.00 55.36 55.41 1xqq s GLN 2 Cb 0.00 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1xqq s GLN 2 CO 0.00 0.41 -0.23 0.96 -0.55 0.00 0.00 175.29 175.88 1xqq s ILE 3 N 0.01 2.31 -0.12 -2.34 -4.36 -0.02 -1.53 121.20 115.15 1xqq s ILE 3 Ca 0.12 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1xqq s ILE 3 Cb -0.12 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1xqq s ILE 3 CO 0.01 -0.14 -0.16 -0.36 0.24 0.00 0.00 174.94 174.53 1xqq s PHE 4 N -1.73 2.08 -0.42 1.37 0.08 0.14 -0.81 117.98 118.68 1xqq s PHE 4 Ca 0.21 -1.00 -0.06 0.00 0.12 0.00 0.00 56.93 56.19 1xqq s PHE 4 Cb -0.08 -1.49 0.10 0.00 -0.57 0.00 0.00 43.02 40.98 1xqq s PHE 4 CO 0.10 -0.51 0.24 0.08 -0.10 0.00 0.00 175.22 175.03 1xqq s VAL 5 N 1.00 3.81 -0.11 -0.44 1.01 -0.31 -0.54 120.40 124.81 1xqq s VAL 5 Ca -0.06 -1.71 -0.26 0.00 0.00 0.00 0.00 61.98 59.95 1xqq s VAL 5 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1xqq s VAL 5 CO -0.02 -0.60 0.85 -0.54 0.00 0.00 0.00 175.10 174.79 1xqq s LYS 6 N 1.30 4.39 0.92 2.72 1.02 -0.22 -1.01 119.74 128.85 1xqq s LYS 6 Ca 0.05 1.10 -0.14 0.00 0.02 0.00 0.00 55.97 56.99 1xqq s LYS 6 Cb -0.23 -3.52 0.16 0.00 -0.52 0.00 0.00 37.83 33.71 1xqq s LYS 6 CO -0.01 -0.20 1.24 0.95 -0.92 0.00 0.00 175.35 176.42 1xqq s THR 7 N 1.65 1.98 0.13 2.17 -4.23 -0.33 -0.63 115.64 116.38 1xqq s THR 7 Ca 0.42 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1xqq s THR 7 Cb -0.18 -2.95 -0.18 0.00 1.34 0.00 0.00 72.50 70.54 1xqq s THR 7 CO 0.17 0.00 1.31 0.25 -0.54 0.00 0.00 174.62 175.80 1xqq h LEU 8 N -1.47 0.58 -1.12 4.79 5.85 -1.78 -3.18 115.31 118.98 1xqq h LEU 8 Ca -0.46 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 1xqq h LEU 8 Cb 1.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1xqq h LEU 8 CO 0.50 1.24 0.35 0.71 -0.34 0.00 0.00 178.44 180.91 1xqq h THR 9 N 0.26 1.21 0.00 1.05 1.35 -1.94 -3.48 112.91 111.37 1xqq h THR 9 Ca -0.08 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1xqq h THR 9 Cb 1.56 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1xqq h THR 9 CO 0.16 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1xqq n GLY 10 N -1.16 0.98 3.63 5.82 0.00 -1.20 -5.15 105.19 108.10 1xqq n GLY 10 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.04 2.32 -0.34 1.61 2.20 -1.26 -4.93 119.74 119.38 1xqq s LYS 11 Ca 0.00 -0.99 -0.15 0.00 -0.36 0.00 0.00 55.97 54.47 1xqq s LYS 11 Cb 0.00 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.92 1xqq s LYS 11 CO 0.00 0.50 0.35 0.99 -0.36 0.00 0.00 175.35 176.83 1xqq s THR 12 N -1.38 5.18 -0.83 3.43 2.01 -1.26 -1.18 115.64 121.60 1xqq s THR 12 Ca 0.24 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.11 1xqq s THR 12 Cb -0.11 -3.81 0.15 0.00 0.01 0.00 0.00 72.50 68.74 1xqq s THR 12 CO 0.16 -0.07 0.96 -0.63 -0.69 0.00 0.00 174.62 174.34 1xqq s ILE 13 N 1.99 4.96 -0.59 1.82 1.01 -0.18 -4.88 121.20 125.34 1xqq s ILE 13 Ca 0.11 -1.65 -0.26 0.00 0.00 0.00 0.00 60.65 58.85 1xqq s ILE 13 Cb -0.17 -4.65 0.04 0.00 0.01 0.00 0.00 42.46 37.69 1xqq s ILE 13 CO 0.11 -1.32 1.09 -0.89 0.00 0.00 0.00 174.94 173.94 1xqq s THR 14 N 2.09 4.15 0.23 2.92 2.01 -1.26 -1.16 115.64 124.62 1xqq s THR 14 Ca 0.25 0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.87 1xqq s THR 14 Cb -0.10 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 1xqq s THR 14 CO -0.06 -1.30 0.15 -0.76 -0.69 0.00 0.00 174.62 171.96 1xqq s LEU 15 N 4.58 3.72 -0.12 4.42 1.43 0.01 -4.95 118.68 127.77 1xqq s LEU 15 Ca 0.36 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1xqq s LEU 15 Cb -0.10 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1xqq s LEU 15 CO 0.21 0.00 -0.08 -1.61 0.23 0.00 0.00 176.35 175.11 1xqq s GLU 16 N -3.58 3.28 0.20 1.70 2.02 -1.26 -0.84 118.70 120.21 1xqq s GLU 16 Ca 0.32 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 1xqq s GLU 16 Cb -0.08 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 1xqq s GLU 16 CO 0.24 0.37 0.20 0.14 0.02 0.00 0.00 175.26 176.23 1xqq s VAL 17 N -0.03 0.02 0.49 2.63 -7.23 -0.46 -4.95 120.40 110.87 1xqq s VAL 17 Ca -0.01 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.42 1xqq s VAL 17 Cb -0.14 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1xqq s VAL 17 CO 0.03 -0.07 0.65 -1.61 -0.31 0.00 0.00 175.10 173.79 1xqq s GLU 18 N -4.11 2.55 0.24 4.82 0.41 -1.26 -0.19 118.70 121.17 1xqq s GLU 18 Ca 0.32 -1.47 0.26 0.00 -0.41 0.00 0.00 54.97 53.67 1xqq s GLU 18 Cb 0.05 -2.66 0.81 0.00 -1.78 0.00 0.00 34.13 30.55 1xqq s GLU 18 CO 0.09 -0.54 1.76 -1.00 -0.49 0.00 0.00 175.26 175.08 1xqq h PRO 19 N 0.47 0.00 0.00 0.39 0.13 -1.96 -3.23 132.00 127.80 1xqq h PRO 19 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1xqq h PRO 19 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xqq h PRO 19 CO 0.44 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.08 1xqq n SER 20 N -2.35 0.00 -4.78 1.44 3.41 -1.26 -1.73 113.62 108.35 1xqq n SER 20 Ca 0.05 -0.13 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 1xqq n SER 20 Cb 0.41 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.55 6.06 0.15 4.04 1.01 -1.22 -4.84 116.67 119.33 1xqq s ASP 21 Ca 0.26 2.19 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 1xqq s ASP 21 Cb 0.18 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 1xqq s ASP 21 CO 0.41 -0.98 0.46 0.42 0.21 0.00 0.00 175.17 175.68 1xqq s THR 22 N -1.70 5.03 0.48 -1.27 -4.23 -1.26 -1.68 115.64 111.01 1xqq s THR 22 Ca 0.67 0.39 0.23 0.00 -1.18 0.00 0.00 61.69 61.80 1xqq s THR 22 Cb -0.25 -3.64 0.42 0.00 1.34 0.00 0.00 72.50 70.37 1xqq s THR 22 CO 0.29 0.10 1.89 0.40 -0.54 0.00 0.00 174.62 176.76 1xqq h ILE 23 N 2.35 0.65 -0.48 2.99 1.08 -1.00 -1.67 117.51 121.44 1xqq h ILE 23 Ca -0.47 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 63.80 1xqq h ILE 23 Cb 1.18 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1xqq h ILE 23 CO 0.69 0.04 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.94 1xqq h GLU 24 N 0.21 0.95 0.00 2.37 4.81 -0.84 0.31 114.58 122.39 1xqq h GLU 24 Ca 0.42 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xqq h GLU 24 Cb 1.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1xqq h GLU 24 CO -0.09 1.04 0.00 0.09 -0.73 0.00 0.00 179.01 179.32 1xqq n ASN 25 N -4.13 0.00 0.00 1.04 3.02 -0.66 -1.43 115.26 113.11 1xqq n ASN 25 Ca 0.01 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.38 1xqq n ASN 25 Cb 0.43 -0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.99 -0.92 2.41 2.07 -1.08 -3.26 116.25 116.45 1xqq h VAL 26 Ca 0.00 -2.39 0.23 0.00 0.82 0.00 0.00 66.70 65.37 1xqq h VAL 26 Cb 0.32 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 1xqq h VAL 26 CO 0.00 0.71 0.62 0.11 0.02 0.00 0.00 177.57 179.03 1xqq h LYS 27 N -0.29 0.24 0.00 1.57 1.57 -0.17 -2.66 116.57 116.83 1xqq h LYS 27 Ca -0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1xqq h LYS 27 Cb 1.77 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1xqq h LYS 27 CO 0.05 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 1xqq h ALA 28 N 1.59 1.00 0.19 3.86 0.00 -1.29 0.12 119.26 124.73 1xqq h ALA 28 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.06 1xqq h ALA 28 Cb 1.42 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1xqq h ALA 28 CO -0.13 0.00 -1.37 0.87 0.00 0.00 0.00 179.25 178.62 1xqq h LYS 29 N 0.00 0.59 -0.09 0.00 1.57 -1.55 -3.06 116.57 114.03 1xqq h LYS 29 Ca 0.00 -0.89 -0.23 0.00 -1.87 0.00 0.00 60.65 57.66 1xqq h LYS 29 Cb 0.46 0.31 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1xqq h LYS 29 CO 0.00 1.42 -0.84 0.82 -0.57 0.00 0.00 179.45 180.28 1xqq h ILE 30 N 0.22 1.29 -0.62 1.86 2.04 -1.40 -2.11 117.51 118.79 1xqq h ILE 30 Ca -0.22 -2.05 0.09 0.00 1.00 0.00 0.00 64.86 63.67 1xqq h ILE 30 Cb 2.05 2.15 -0.07 0.00 -0.74 0.00 0.00 36.82 40.21 1xqq h ILE 30 CO 0.26 0.64 0.25 -0.61 0.00 0.00 0.00 178.15 178.69 1xqq h GLN 31 N 0.44 0.43 0.20 2.37 4.15 -0.91 0.23 115.11 122.02 1xqq h GLN 31 Ca -0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1xqq h GLN 31 Cb 1.48 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1xqq h GLN 31 CO 0.17 0.28 -0.10 0.22 -1.93 0.00 0.00 178.83 177.47 1xqq h ASP 32 N 0.44 -0.23 0.15 -0.69 3.58 -1.41 -2.99 116.42 115.27 1xqq h ASP 32 Ca 0.31 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1xqq h ASP 32 Cb 0.37 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1xqq h ASP 32 CO -0.29 0.04 -0.07 0.11 -2.88 0.00 0.00 179.24 176.15 1xqq h LYS 33 N -0.51 -0.19 -0.01 0.28 6.56 -1.27 -3.39 116.57 118.03 1xqq h LYS 33 Ca -0.03 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1xqq h LYS 33 Cb 0.39 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1xqq h LYS 33 CO 0.05 -0.13 -0.00 0.93 -2.06 0.00 0.00 179.45 178.24 1xqq h GLU 34 N -0.36 0.03 0.00 3.15 4.39 -1.12 -3.48 114.58 117.19 1xqq h GLU 34 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xqq h GLU 34 Cb 0.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xqq h GLU 34 CO 0.03 0.39 0.00 0.41 -1.16 0.00 0.00 179.01 178.69 1xqq n GLY 35 N -0.09 1.33 3.69 -3.84 0.00 -1.12 -5.05 105.19 100.12 1xqq n GLY 35 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 5.07 0.31 -0.61 1.01 -1.26 -4.99 121.20 118.73 1xqq s ILE 36 Ca 0.00 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 1xqq s ILE 36 Cb 0.00 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 1xqq s ILE 36 CO 0.00 0.21 1.29 -2.84 0.00 0.00 0.00 174.94 173.60 1xqq s PRO 37 N 1.24 4.38 0.24 2.79 0.02 -1.26 -4.09 135.00 138.32 1xqq s PRO 37 Ca 0.31 2.17 0.24 0.00 0.02 0.00 0.00 61.00 63.74 1xqq s PRO 37 Cb -0.16 -3.09 0.93 0.00 0.02 0.00 0.00 34.50 32.19 1xqq s PRO 37 CO 0.13 -0.17 1.73 -2.30 -0.33 0.00 0.00 177.00 176.06 1xqq n PRO 38 N 1.03 0.21 0.05 5.54 -0.02 -1.26 -2.15 135.00 138.40 1xqq n PRO 38 Ca 0.01 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1xqq n PRO 38 Cb 0.42 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xqq h ASP 39 N 0.00 0.56 -0.90 2.55 3.04 -2.00 -3.12 116.42 116.55 1xqq h ASP 39 Ca 0.00 -0.40 0.02 0.00 -3.24 0.00 0.00 57.03 53.40 1xqq h ASP 39 Cb 0.49 -0.17 -0.05 0.00 -1.04 0.00 0.00 39.33 38.56 1xqq h ASP 39 CO 0.00 1.18 0.59 -0.61 -2.04 0.00 0.00 179.24 178.36 1xqq h GLN 40 N 0.29 1.15 -6.26 4.15 4.15 -1.77 -3.44 115.11 113.37 1xqq h GLN 40 Ca -0.06 -0.07 -0.55 0.00 0.77 0.00 0.00 58.65 58.74 1xqq h GLN 40 Cb 1.44 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1xqq h GLN 40 CO 0.15 0.76 1.22 -0.65 -1.93 0.00 0.00 178.83 178.38 1xqq s GLN 41 N -6.12 3.93 -0.36 1.69 -0.21 -1.04 0.33 119.66 117.88 1xqq s GLN 41 Ca -0.13 2.24 0.01 0.00 0.02 0.00 0.00 55.36 57.50 1xqq s GLN 41 Cb 0.17 -4.13 0.10 0.00 1.00 0.00 0.00 33.01 30.15 1xqq s GLN 41 CO 0.80 -1.17 0.10 0.50 -2.12 0.00 0.00 175.29 173.40 1xqq s ARG 42 N 4.69 1.80 -0.34 2.91 3.52 0.31 -4.83 118.95 127.00 1xqq s ARG 42 Ca 0.83 -1.78 -0.16 0.00 -0.13 0.00 0.00 55.73 54.49 1xqq s ARG 42 Cb -0.36 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1xqq s ARG 42 CO 0.35 -0.95 0.39 -1.17 -0.81 0.00 0.00 175.30 173.11 1xqq s LEU 43 N 1.03 4.41 0.18 -0.88 2.96 -1.26 -1.91 118.68 123.22 1xqq s LEU 43 Ca 0.08 -0.18 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 1xqq s LEU 43 Cb -0.21 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xqq s LEU 43 CO -0.06 -0.36 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.87 1xqq s ILE 44 N 2.09 3.11 0.00 6.68 1.01 0.62 -0.57 121.20 134.13 1xqq s ILE 44 Ca 0.13 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1xqq s ILE 44 Cb -0.16 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1xqq s ILE 44 CO 0.12 -0.11 0.00 0.33 0.00 0.00 0.00 174.94 175.28 1xqq n PHE 45 N 0.06 0.00 0.00 3.97 7.35 -0.15 0.10 117.46 128.79 1xqq n PHE 45 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1xqq n PHE 45 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.38 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 0.31 -0.08 3.13 0.00 -1.26 -4.01 120.51 115.61 1xqq n ALA 46 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1xqq n ALA 46 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 2.27 -0.59 3.93 0.00 0.00 -1.26 -5.02 105.19 104.52 1xqq n GLY 47 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N -2.35 3.47 -0.03 1.61 -2.85 -1.26 -5.09 119.74 113.24 1xqq s LYS 48 Ca -0.12 -0.43 -0.21 0.00 -1.00 0.00 0.00 55.97 54.21 1xqq s LYS 48 Cb 0.05 -2.97 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 1xqq s LYS 48 CO 0.54 0.54 0.60 1.14 0.10 0.00 0.00 175.35 178.27 1xqq s GLN 49 N -2.85 4.34 -0.20 1.78 -2.07 -1.26 -0.98 119.66 118.42 1xqq s GLN 49 Ca 0.36 0.72 -0.20 0.00 -1.82 0.00 0.00 55.36 54.42 1xqq s GLN 49 Cb -0.12 -3.37 -0.03 0.00 -1.09 0.00 0.00 33.01 28.40 1xqq s GLN 49 CO 0.28 0.29 0.60 -0.51 -1.32 0.00 0.00 175.29 174.63 1xqq s LEU 50 N 0.08 4.15 -0.06 2.60 1.43 0.26 -4.97 118.68 122.17 1xqq s LEU 50 Ca 0.31 0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 1xqq s LEU 50 Cb -0.18 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1xqq s LEU 50 CO 0.16 -0.25 0.32 -1.61 0.23 0.00 0.00 176.35 175.20 1xqq s GLU 51 N 1.82 3.83 0.20 1.70 0.41 -1.26 -4.57 118.70 120.84 1xqq s GLU 51 Ca 0.28 0.21 -0.05 0.00 -0.41 0.00 0.00 54.97 54.99 1xqq s GLU 51 Cb -0.16 -3.24 0.34 0.00 -1.78 0.00 0.00 34.13 29.29 1xqq s GLU 51 CO 0.10 0.65 1.11 -0.25 -0.49 0.00 0.00 175.26 176.38 1xqq n ASP 52 N 2.14 -0.25 -0.11 -0.19 9.92 -1.26 -3.00 116.55 123.80 1xqq n ASP 52 Ca -0.15 1.23 0.11 0.00 -0.53 0.00 0.00 54.79 55.45 1xqq n ASP 52 Cb 0.53 -0.37 0.12 0.00 -0.64 0.00 0.00 41.12 40.76 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 -1.45 -0.89 3.86 0.44 0.00 -1.26 -0.16 105.19 105.73 1xqq n GLY 53 Ca 0.12 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.85 3.86 0.57 1.61 1.81 -1.16 -4.75 118.95 118.04 1xqq s ARG 54 Ca 0.13 0.68 -0.03 0.00 -1.72 0.00 0.00 55.73 54.79 1xqq s ARG 54 Cb 0.17 -2.29 0.02 0.00 -0.45 0.00 0.00 34.95 32.41 1xqq s ARG 54 CO 0.71 -0.12 0.84 0.95 -0.68 0.00 0.00 175.30 176.99 1xqq s THR 55 N -2.46 3.27 0.45 0.02 -4.23 -1.26 -1.45 115.64 109.98 1xqq s THR 55 Ca 0.55 -0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.86 1xqq s THR 55 Cb -0.10 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.69 1xqq s THR 55 CO 0.30 -0.25 2.05 -0.07 -0.54 0.00 0.00 174.62 176.12 1xqq h LEU 56 N -0.06 0.18 -1.82 4.79 4.07 -1.29 -1.09 115.31 120.09 1xqq h LEU 56 Ca -0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.28 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 1xqq h LEU 56 CO 0.58 0.21 -0.01 0.28 -1.08 0.00 0.00 178.44 178.41 1xqq h SER 57 N 0.20 0.08 -0.18 -0.43 0.02 -1.57 0.24 113.55 111.92 1xqq h SER 57 Ca 0.05 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1xqq h SER 57 Cb 0.11 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1xqq h SER 57 CO -0.00 0.11 -0.45 0.44 -1.14 0.00 0.00 176.83 175.80 1xqq h ASP 58 N 0.09 0.70 1.42 3.07 3.32 -1.52 -3.29 116.42 120.21 1xqq h ASP 58 Ca 0.02 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1xqq h ASP 58 Cb 0.09 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xqq h ASP 58 CO 0.00 1.15 -0.28 1.88 -1.72 0.00 0.00 179.24 180.27 1xqq h TYR 59 N 0.28 0.00 -1.90 4.55 0.05 -1.36 -3.48 116.97 115.11 1xqq h TYR 59 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1xqq h TYR 59 Cb 1.06 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.81 1xqq h TYR 59 CO 0.09 0.00 -0.05 0.09 -1.05 0.00 0.00 178.16 177.24 1xqq n ASN 60 N -2.53 -2.13 -4.67 3.88 4.13 -0.37 -5.05 115.26 108.51 1xqq n ASN 60 Ca 0.04 -0.04 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1xqq n ASN 60 Cb 0.48 -0.84 -0.04 0.00 -1.54 0.00 0.00 39.78 37.84 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 -3.03 4.85 0.00 2.41 1.01 0.71 -5.01 121.20 122.13 1xqq s ILE 61 Ca 0.02 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1xqq s ILE 61 Cb -0.01 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1xqq s ILE 61 CO 0.05 0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.00 1xqq n GLN 62 N 5.23 3.73 -2.89 2.79 6.02 -1.26 -4.53 117.38 126.47 1xqq n GLN 62 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 1xqq n GLN 62 Cb 0.49 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.70 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N 2.05 3.87 -1.49 -1.09 -2.85 -1.26 -4.01 119.74 114.96 1xqq s LYS 63 Ca 0.00 0.59 -0.05 0.00 -1.00 0.00 0.00 55.97 55.51 1xqq s LYS 63 Cb 0.00 -2.37 0.02 0.00 -2.06 0.00 0.00 37.83 33.42 1xqq s LYS 63 CO 0.00 -0.00 0.45 0.39 0.10 0.00 0.00 175.35 176.29 1xqq n GLU 64 N -1.04 -3.95 -2.64 1.78 1.02 -0.58 -4.96 120.64 110.27 1xqq n GLU 64 Ca 0.03 0.81 -0.40 0.00 -0.02 0.00 0.00 57.16 57.58 1xqq n GLU 64 Cb 0.54 -5.60 -0.05 0.00 -0.02 0.00 0.00 31.44 26.31 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 -2.56 7.48 -0.29 1.62 0.01 -1.25 -4.90 113.70 113.80 1xqq s SER 65 Ca 0.26 2.04 -0.12 0.00 1.31 0.00 0.00 55.95 59.43 1xqq s SER 65 Cb -0.12 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 1xqq s SER 65 CO 0.32 0.00 0.25 -0.89 0.41 0.00 0.00 173.24 173.33 1xqq s THR 66 N -0.92 5.27 0.52 1.44 2.01 -1.26 -0.69 115.64 122.01 1xqq s THR 66 Ca 0.44 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.68 1xqq s THR 66 Cb -0.28 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.65 1xqq s THR 66 CO 0.35 0.16 0.50 -0.76 -0.69 0.00 0.00 174.62 174.18 1xqq s LEU 67 N 1.84 2.99 -0.02 4.42 1.43 0.30 -4.74 118.68 124.90 1xqq s LEU 67 Ca 0.09 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1xqq s LEU 67 Cb -0.16 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1xqq s LEU 67 CO 0.11 -1.06 -0.03 -1.00 0.23 0.00 0.00 176.35 174.60 1xqq s HIS 68 N -2.67 0.43 -0.19 0.29 3.76 0.11 -1.06 115.29 115.96 1xqq s HIS 68 Ca 0.45 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 1xqq s HIS 68 Cb -0.03 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.31 1xqq s HIS 68 CO 0.28 -0.06 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.79 1xqq s LEU 69 N 0.33 2.40 0.37 0.89 2.96 0.20 -0.28 118.68 125.55 1xqq s LEU 69 Ca -0.03 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1xqq s LEU 69 Cb -0.07 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 1xqq s LEU 69 CO -0.00 -0.01 0.03 0.68 -1.32 0.00 0.00 176.35 175.73 1xqq s VAL 70 N 1.36 2.38 -0.21 1.68 -7.23 -0.80 -2.14 120.40 115.44 1xqq s VAL 70 Ca 0.05 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1xqq s VAL 70 Cb -0.13 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1xqq s VAL 70 CO -0.10 -0.12 0.04 -0.76 -0.31 0.00 0.00 175.10 173.85 1xqq s LEU 71 N -3.74 3.44 -0.29 1.32 1.43 -1.26 -0.53 118.68 119.04 1xqq s LEU 71 Ca 0.36 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1xqq s LEU 71 Cb 0.03 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 1xqq s LEU 71 CO 0.19 0.06 2.26 -1.14 0.23 0.00 0.00 176.35 177.95 1xqq n ARG 72 N 4.29 1.64 0.00 1.70 0.63 0.15 -4.90 116.66 120.17 1xqq n ARG 72 Ca -0.17 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1xqq n ARG 72 Cb 0.52 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.30 1xqq n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1xqq n LEU 73 N 12.08 0.00 -3.89 6.15 4.77 -1.26 -4.88 117.00 129.96 1xqq n LEU 73 Ca 0.33 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 1xqq n LEU 73 Cb 0.42 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 1xqq n LEU 73 CO 0.69 0.00 -0.29 -0.13 -1.33 0.00 0.00 177.39 176.33 1xqq s ARG 74 N 1.33 1.35 0.00 3.23 1.81 -1.26 -4.94 118.95 120.47 1xqq s ARG 74 Ca 0.00 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.18 1xqq s ARG 74 Cb 0.00 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 1xqq s ARG 74 CO 0.00 -1.01 0.00 0.41 -0.68 0.00 0.00 175.30 174.02 1xqq n GLY 75 N 4.09 0.03 0.00 -3.53 0.00 -1.26 -5.34 105.19 99.17 1xqq n GLY 75 Ca 0.03 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93