#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 4.18 0.14 2.12 -0.21 -1.26 -0.53 119.66 124.10 1xqq s GLN 2 Ca 0.00 0.34 0.11 0.00 0.02 0.00 0.00 55.36 55.83 1xqq s GLN 2 Cb 0.00 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1xqq s GLN 2 CO 0.00 0.36 -0.26 0.96 -2.12 0.00 0.00 175.29 174.22 1xqq s ILE 3 N 0.02 2.30 -0.41 1.08 -4.36 -0.24 -1.11 121.20 118.49 1xqq s ILE 3 Ca 0.23 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1xqq s ILE 3 Cb -0.15 -2.04 0.11 0.00 1.25 0.00 0.00 42.46 41.63 1xqq s ILE 3 CO 0.10 0.05 0.21 -0.36 0.24 0.00 0.00 174.94 175.18 1xqq s PHE 4 N -1.18 3.55 -0.35 1.37 0.08 0.83 -2.01 117.98 120.26 1xqq s PHE 4 Ca 0.15 -2.30 -0.19 0.00 0.12 0.00 0.00 56.93 54.71 1xqq s PHE 4 Cb -0.10 -3.19 -0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1xqq s PHE 4 CO 0.07 -0.96 0.56 0.08 -0.10 0.00 0.00 175.22 174.86 1xqq s VAL 5 N 1.18 4.97 -0.23 -0.44 1.01 -0.33 0.35 120.40 126.91 1xqq s VAL 5 Ca 0.07 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1xqq s VAL 5 Cb -0.23 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1xqq s VAL 5 CO -0.03 -0.25 0.21 -0.54 0.00 0.00 0.00 175.10 174.48 1xqq s LYS 6 N 2.51 4.09 0.83 2.72 1.02 -0.34 0.15 119.74 130.71 1xqq s LYS 6 Ca 0.21 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 1xqq s LYS 6 Cb -0.15 -3.54 0.18 0.00 -0.52 0.00 0.00 37.83 33.80 1xqq s LYS 6 CO 0.14 0.04 1.13 0.25 -0.92 0.00 0.00 175.35 175.99 1xqq n THR 7 N 4.30 0.00 -0.19 2.17 -2.24 -0.80 -0.45 114.28 117.07 1xqq n THR 7 Ca -0.14 -1.10 -0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1xqq n THR 7 Cb 0.52 -1.33 0.09 0.00 -2.10 0.00 0.00 70.33 67.50 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 -0.18 0.00 3.22 6.46 -1.92 -3.35 115.31 119.54 1xqq h LEU 8 Ca -0.37 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1xqq h LEU 8 Cb 1.11 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1xqq h LEU 8 CO 0.30 -0.07 -0.21 0.35 -0.62 0.00 0.00 178.44 178.19 1xqq n THR 9 N -5.23 0.46 0.00 1.05 -2.24 -1.26 -5.00 114.28 102.07 1xqq n THR 9 Ca 0.08 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1xqq n THR 9 Cb 0.32 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.64 -1.73 3.21 3.38 0.00 -1.26 -5.12 105.19 105.31 1xqq n GLY 10 Ca -0.03 0.75 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 2.98 -0.87 1.61 2.20 -1.26 -4.95 119.74 119.45 1xqq s LYS 11 Ca 0.00 -0.88 -0.23 0.00 -0.36 0.00 0.00 55.97 54.51 1xqq s LYS 11 Cb 0.00 -2.93 0.07 0.00 -1.51 0.00 0.00 37.83 33.46 1xqq s LYS 11 CO 0.00 -0.33 1.24 0.99 -0.36 0.00 0.00 175.35 176.90 1xqq s THR 12 N 1.35 4.15 -0.56 3.43 2.01 -1.26 -1.91 115.64 122.85 1xqq s THR 12 Ca 0.02 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 1xqq s THR 12 Cb -0.16 -4.89 0.04 0.00 0.01 0.00 0.00 72.50 67.50 1xqq s THR 12 CO -0.05 -1.73 0.97 -0.63 -0.69 0.00 0.00 174.62 172.49 1xqq s ILE 13 N 4.40 4.34 -0.45 1.82 1.01 0.12 -4.89 121.20 127.56 1xqq s ILE 13 Ca 0.36 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 1xqq s ILE 13 Cb -0.06 -4.57 0.02 0.00 0.01 0.00 0.00 42.46 37.87 1xqq s ILE 13 CO -0.01 -1.16 0.84 -0.89 0.00 0.00 0.00 174.94 173.72 1xqq s THR 14 N 4.06 4.59 -0.04 2.92 2.01 -1.26 -1.18 115.64 126.73 1xqq s THR 14 Ca 0.31 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.93 1xqq s THR 14 Cb -0.12 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 1xqq s THR 14 CO 0.19 -0.74 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.50 1xqq s LEU 15 N 3.45 2.87 -0.17 4.42 1.43 -0.85 -4.99 118.68 124.84 1xqq s LEU 15 Ca 0.33 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1xqq s LEU 15 Cb -0.11 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1xqq s LEU 15 CO 0.24 0.34 0.05 -0.70 0.23 0.00 0.00 176.35 176.51 1xqq s GLU 16 N -0.85 3.85 0.40 1.70 2.12 -1.26 -1.08 118.70 123.59 1xqq s GLU 16 Ca 0.12 -0.35 0.05 0.00 0.36 0.00 0.00 54.97 55.15 1xqq s GLU 16 Cb -0.11 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1xqq s GLU 16 CO 0.02 0.33 0.17 0.14 -0.54 0.00 0.00 175.26 175.37 1xqq s VAL 17 N 0.20 0.43 0.58 3.70 -7.23 0.32 -4.95 120.40 113.45 1xqq s VAL 17 Ca 0.04 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1xqq s VAL 17 Cb -0.12 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1xqq s VAL 17 CO 0.01 0.00 0.91 -1.61 -0.31 0.00 0.00 175.10 174.10 1xqq s GLU 18 N -3.63 3.12 0.11 4.82 2.02 -1.26 0.31 118.70 124.20 1xqq s GLU 18 Ca 0.26 0.18 0.24 0.00 0.02 0.00 0.00 54.97 55.67 1xqq s GLU 18 Cb 0.02 -2.25 0.94 0.00 0.10 0.00 0.00 34.13 32.95 1xqq s GLU 18 CO 0.17 -0.61 1.76 -2.30 0.02 0.00 0.00 175.26 174.30 1xqq n PRO 19 N -2.58 0.12 -0.08 0.39 -0.02 -1.26 -2.80 135.00 128.76 1xqq n PRO 19 Ca 0.04 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.82 1xqq n PRO 19 Cb 0.57 -1.66 0.14 0.00 -0.02 0.00 0.00 33.50 32.52 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xqq n SER 20 N -1.87 2.96 -4.82 2.55 7.64 -1.26 -1.65 113.62 117.17 1xqq n SER 20 Ca 0.05 -1.89 -0.32 0.00 1.01 0.00 0.00 58.87 57.71 1xqq n SER 20 Cb 0.32 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -1.53 6.09 0.55 6.43 1.01 -1.12 -4.71 116.67 123.38 1xqq s ASP 21 Ca 0.29 1.73 0.01 0.00 0.71 0.00 0.00 52.55 55.28 1xqq s ASP 21 Cb 0.18 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1xqq s ASP 21 CO 0.27 -0.95 0.78 0.42 0.21 0.00 0.00 175.17 175.89 1xqq s THR 22 N -2.52 2.74 0.14 -1.27 -4.23 -1.26 -1.30 115.64 107.95 1xqq s THR 22 Ca 0.62 -0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1xqq s THR 22 Cb -0.14 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.69 1xqq s THR 22 CO 0.35 -0.02 1.62 0.40 -0.54 0.00 0.00 174.62 176.43 1xqq h ILE 23 N 0.07 1.25 -0.47 2.99 1.08 -1.20 -2.48 117.51 118.76 1xqq h ILE 23 Ca -0.42 -0.97 0.09 0.00 -0.39 0.00 0.00 64.86 63.17 1xqq h ILE 23 Cb 1.29 0.95 -0.09 0.00 -3.07 0.00 0.00 36.82 35.90 1xqq h ILE 23 CO 0.53 0.34 -0.12 -0.62 -0.69 0.00 0.00 178.15 177.58 1xqq n GLU 24 N -4.40 -0.05 0.03 2.37 -0.58 -0.47 -0.19 120.64 117.35 1xqq n GLU 24 Ca 0.01 0.74 -0.15 0.00 -0.42 0.00 0.00 57.16 57.33 1xqq n GLU 24 Cb 0.27 -1.10 -0.05 0.00 -0.57 0.00 0.00 31.44 29.99 1xqq n GLU 24 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xqq h ASN 25 N 0.00 0.75 -0.68 1.62 -0.26 -1.75 -1.80 115.58 113.45 1xqq h ASN 25 Ca 0.22 -0.53 0.03 0.00 -0.56 0.00 0.00 56.30 55.46 1xqq h ASN 25 Cb 0.34 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 1xqq h ASN 25 CO -0.49 1.32 0.43 0.58 -1.06 0.00 0.00 177.43 178.21 1xqq h VAL 26 N 0.39 1.10 -0.57 2.81 2.07 -0.47 -1.60 116.25 119.97 1xqq h VAL 26 Ca -0.07 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1xqq h VAL 26 Cb 1.47 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1xqq h VAL 26 CO 0.16 0.15 0.21 0.11 0.02 0.00 0.00 177.57 178.22 1xqq h LYS 27 N 0.84 0.83 -0.57 1.57 1.57 -0.73 -2.14 116.57 117.93 1xqq h LYS 27 Ca 0.27 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 27 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1xqq h LYS 27 CO -0.10 0.70 -0.03 0.00 -0.57 0.00 0.00 179.45 179.44 1xqq h ALA 28 N 1.41 0.85 -0.01 3.86 0.00 -0.78 -1.81 119.26 122.79 1xqq h ALA 28 Ca 0.19 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xqq h ALA 28 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xqq h ALA 28 CO -0.01 0.66 -0.57 0.87 0.00 0.00 0.00 179.25 180.19 1xqq h LYS 29 N 0.93 0.03 -0.26 0.00 1.57 -1.06 0.47 116.57 118.24 1xqq h LYS 29 Ca 0.16 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1xqq h LYS 29 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xqq h LYS 29 CO 0.03 0.59 -0.56 0.82 -0.57 0.00 0.00 179.45 179.77 1xqq h ILE 30 N 0.02 1.28 -0.78 1.86 2.04 -1.24 0.12 117.51 120.81 1xqq h ILE 30 Ca -0.01 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 1xqq h ILE 30 Cb 1.02 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1xqq h ILE 30 CO 0.08 0.57 0.33 -0.61 0.00 0.00 0.00 178.15 178.52 1xqq h GLN 31 N 0.62 1.14 -0.15 2.37 4.15 -0.73 -2.71 115.11 119.81 1xqq h GLN 31 Ca 0.01 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.11 1xqq h GLN 31 Cb 1.16 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.66 1xqq h GLN 31 CO 0.12 0.91 -0.40 0.22 -1.93 0.00 0.00 178.83 177.76 1xqq h ASP 32 N 1.11 0.60 0.06 -0.69 3.58 0.73 -1.80 116.42 120.03 1xqq h ASP 32 Ca 0.26 -0.59 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1xqq h ASP 32 Cb 0.18 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1xqq h ASP 32 CO -0.03 1.08 -0.03 0.50 -2.88 0.00 0.00 179.24 177.89 1xqq h LYS 33 N 0.15 -0.08 0.00 0.28 1.63 -0.82 -3.41 116.57 114.33 1xqq h LYS 33 Ca -0.01 0.01 -0.26 0.00 -0.85 0.00 0.00 60.65 59.53 1xqq h LYS 33 Cb 1.01 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 1xqq h LYS 33 CO 0.09 0.36 -1.99 0.39 -3.45 0.00 0.00 179.45 174.84 1xqq n GLU 34 N -4.91 1.35 -1.96 1.90 -0.58 -1.02 -5.05 120.64 110.37 1xqq n GLU 34 Ca -0.08 0.02 -0.03 0.00 -0.42 0.00 0.00 57.16 56.65 1xqq n GLU 34 Cb 0.24 -1.36 0.01 0.00 -0.57 0.00 0.00 31.44 29.76 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 2.26 0.46 3.38 0.62 0.00 -0.68 -5.05 105.19 106.19 1xqq n GLY 35 Ca -0.26 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.07 3.56 0.37 -0.61 1.01 -1.26 -5.03 121.20 116.17 1xqq s ILE 36 Ca 0.06 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1xqq s ILE 36 Cb -0.01 -2.59 -0.11 0.00 0.01 0.00 0.00 42.46 39.76 1xqq s ILE 36 CO 0.13 0.45 1.48 -2.84 0.00 0.00 0.00 174.94 174.16 1xqq s PRO 37 N 1.02 4.13 0.30 2.79 0.02 -1.26 -4.18 135.00 137.82 1xqq s PRO 37 Ca 0.01 2.55 0.23 0.00 0.02 0.00 0.00 61.00 63.80 1xqq s PRO 37 Cb -0.15 -2.98 1.11 0.00 0.02 0.00 0.00 34.50 32.51 1xqq s PRO 37 CO 0.00 -0.52 1.69 -0.35 -0.33 0.00 0.00 177.00 177.50 1xqq n PRO 38 N 0.62 0.17 0.13 5.54 -0.04 -1.26 -1.75 135.00 138.40 1xqq n PRO 38 Ca 0.01 0.56 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 1xqq n PRO 38 Cb 0.39 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 0.00 0.00 1.17 3.54 3.04 -1.91 -3.12 116.42 119.14 1xqq h ASP 39 Ca 0.00 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.71 1xqq h ASP 39 Cb 0.15 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.42 1xqq h ASP 39 CO 0.00 0.47 -0.40 1.56 -2.04 0.00 0.00 179.24 178.83 1xqq h GLN 40 N 0.00 0.00 -6.14 4.15 4.20 -1.62 -3.42 115.11 112.28 1xqq h GLN 40 Ca -0.02 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.12 1xqq h GLN 40 Cb 1.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 1xqq h GLN 40 CO 0.06 0.40 0.74 -0.65 -0.67 0.00 0.00 178.83 178.71 1xqq s GLN 41 N -3.31 4.31 0.10 1.46 -0.21 -1.18 -1.59 119.66 119.23 1xqq s GLN 41 Ca 0.02 1.40 0.06 0.00 0.02 0.00 0.00 55.36 56.87 1xqq s GLN 41 Cb 0.09 -3.62 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 1xqq s GLN 41 CO 0.70 -0.54 -0.16 0.50 -2.12 0.00 0.00 175.29 173.67 1xqq s ARG 42 N 2.85 0.99 0.02 2.91 3.52 -0.06 -4.66 118.95 124.51 1xqq s ARG 42 Ca 0.46 -1.12 0.04 0.00 -0.13 0.00 0.00 55.73 54.99 1xqq s ARG 42 Cb -0.17 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.17 1xqq s ARG 42 CO 0.11 0.22 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.19 1xqq s LEU 43 N -2.04 2.11 -0.01 -0.88 1.43 -1.26 -0.24 118.68 117.79 1xqq s LEU 43 Ca 0.04 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1xqq s LEU 43 Cb -0.08 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1xqq s LEU 43 CO 0.03 0.06 -0.25 -0.63 0.23 0.00 0.00 176.35 175.79 1xqq s ILE 44 N -0.63 2.00 -0.17 -0.59 -1.09 -0.77 -1.96 121.20 117.99 1xqq s ILE 44 Ca 0.02 -1.12 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 1xqq s ILE 44 Cb -0.06 -1.67 -0.07 0.00 -1.58 0.00 0.00 42.46 39.08 1xqq s ILE 44 CO 0.00 0.52 -0.28 0.33 -1.23 0.00 0.00 174.94 174.29 1xqq n PHE 45 N 2.35 0.00 -3.31 3.97 7.35 -1.26 -2.32 117.46 124.23 1xqq n PHE 45 Ca -0.16 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.46 1xqq n PHE 45 Cb 0.51 -0.59 -0.07 0.00 0.35 0.00 0.00 39.48 39.69 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq s ALA 46 N -2.56 -1.28 0.00 3.13 0.00 -1.26 -4.74 121.76 115.04 1xqq s ALA 46 Ca -0.27 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1xqq s ALA 46 Cb 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1xqq s ALA 46 CO 0.36 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1xqq n GLY 47 N 5.37 0.97 3.98 0.00 0.00 -1.26 -4.89 105.19 109.37 1xqq n GLY 47 Ca -0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.91 0.36 1.61 -2.85 -1.26 -5.03 119.74 115.48 1xqq s LYS 48 Ca 0.00 -0.84 -0.28 0.00 -1.00 0.00 0.00 55.97 53.85 1xqq s LYS 48 Cb 0.00 -2.65 -0.11 0.00 -2.06 0.00 0.00 37.83 33.01 1xqq s LYS 48 CO 0.00 -0.28 1.51 1.14 0.10 0.00 0.00 175.35 177.82 1xqq s GLN 49 N -4.46 4.11 -0.23 1.78 -2.07 -1.26 -4.22 119.66 113.30 1xqq s GLN 49 Ca 0.51 2.58 -0.26 0.00 -1.82 0.00 0.00 55.36 56.37 1xqq s GLN 49 Cb -0.10 -2.98 -0.00 0.00 -1.09 0.00 0.00 33.01 28.84 1xqq s GLN 49 CO 0.35 -0.56 0.89 -0.51 -1.32 0.00 0.00 175.29 174.15 1xqq s LEU 50 N -1.81 4.10 0.35 2.60 1.43 -0.83 -5.00 118.68 119.53 1xqq s LEU 50 Ca 0.55 1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1xqq s LEU 50 Cb -0.47 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1xqq s LEU 50 CO 0.61 -0.55 0.66 -1.61 0.23 0.00 0.00 176.35 175.69 1xqq s GLU 51 N 2.87 3.69 0.05 1.70 2.02 -1.26 -4.80 118.70 122.97 1xqq s GLU 51 Ca 0.38 0.22 -0.27 0.00 0.02 0.00 0.00 54.97 55.32 1xqq s GLU 51 Cb -0.15 -2.52 -0.17 0.00 0.10 0.00 0.00 34.13 31.39 1xqq s GLU 51 CO 0.08 0.08 1.49 -0.44 0.02 0.00 0.00 175.26 176.48 1xqq h ASP 52 N 1.39 -0.36 -0.86 -0.19 3.32 -1.97 -3.17 116.42 114.58 1xqq h ASP 52 Ca -0.47 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 55.94 1xqq h ASP 52 Cb 1.19 0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.54 1xqq h ASP 52 CO 0.65 -0.14 0.41 0.61 -1.72 0.00 0.00 179.24 179.05 1xqq n GLY 53 N -0.85 5.51 3.71 2.75 0.00 -1.26 -1.36 105.19 113.69 1xqq n GLY 53 Ca -0.10 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.59 2.77 0.85 1.61 0.52 -1.20 -4.95 118.95 114.97 1xqq s ARG 54 Ca 0.58 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 1xqq s ARG 54 Cb 0.47 -2.67 0.10 0.00 0.52 0.00 0.00 34.95 33.38 1xqq s ARG 54 CO 0.03 0.59 1.16 0.95 0.02 0.00 0.00 175.30 178.05 1xqq s THR 55 N -1.23 2.06 0.17 0.02 -4.23 -1.26 -2.39 115.64 108.78 1xqq s THR 55 Ca 0.24 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1xqq s THR 55 Cb -0.12 -2.91 -0.15 0.00 1.34 0.00 0.00 72.50 70.65 1xqq s THR 55 CO 0.15 -0.03 1.38 -0.07 -0.54 0.00 0.00 174.62 175.52 1xqq h LEU 56 N -1.22 0.09 -0.01 4.79 3.38 -1.25 -3.13 115.31 117.95 1xqq h LEU 56 Ca -0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1xqq h LEU 56 Cb 1.33 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1xqq h LEU 56 CO 0.64 0.93 -0.00 -1.28 0.09 0.00 0.00 178.44 178.82 1xqq h SER 57 N 0.03 0.01 -0.73 -0.43 0.87 -1.54 0.26 113.55 112.02 1xqq h SER 57 Ca -0.02 -0.32 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1xqq h SER 57 Cb 1.54 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.44 1xqq h SER 57 CO 0.12 0.34 0.42 -0.78 -0.53 0.00 0.00 176.83 176.40 1xqq h ASP 58 N -0.31 0.63 0.60 6.23 3.58 -1.87 -1.25 116.42 124.03 1xqq h ASP 58 Ca 0.00 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1xqq h ASP 58 Cb 0.33 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1xqq h ASP 58 CO 0.00 0.40 -0.37 1.88 -2.88 0.00 0.00 179.24 178.27 1xqq h TYR 59 N 0.76 0.00 -3.55 0.28 0.05 -1.58 -3.47 116.97 109.47 1xqq h TYR 59 Ca 0.33 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.94 1xqq h TYR 59 Cb 0.21 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.02 1xqq h TYR 59 CO -0.07 0.37 -0.34 -1.71 -1.05 0.00 0.00 178.16 175.36 1xqq n ASN 60 N -3.75 -2.71 -4.66 3.88 2.85 -0.47 -5.01 115.26 105.39 1xqq n ASN 60 Ca -0.01 -0.28 -0.43 0.00 -0.11 0.00 0.00 54.58 53.75 1xqq n ASN 60 Cb 0.45 -2.64 -0.02 0.00 1.24 0.00 0.00 39.78 38.81 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xqq s ILE 61 N -3.16 4.60 0.35 -1.44 1.01 0.85 -5.01 121.20 118.40 1xqq s ILE 61 Ca 0.09 1.94 0.04 0.00 0.00 0.00 0.00 60.65 62.72 1xqq s ILE 61 Cb -0.04 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1xqq s ILE 61 CO 0.34 -0.18 0.32 0.00 0.00 0.00 0.00 174.94 175.42 1xqq n GLN 62 N 6.39 0.93 -2.24 2.79 6.02 -1.26 -4.50 117.38 125.51 1xqq n GLN 62 Ca 0.12 -2.14 -0.41 0.00 -0.01 0.00 0.00 57.00 54.57 1xqq n GLN 62 Cb 0.46 0.15 -0.03 0.00 1.02 0.00 0.00 30.24 31.84 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 -3.48 4.41 -0.46 -1.09 -2.85 -1.26 -3.48 119.74 111.51 1xqq s LYS 63 Ca 0.24 2.04 -0.03 0.00 -1.00 0.00 0.00 55.97 57.22 1xqq s LYS 63 Cb -0.02 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.56 1xqq s LYS 63 CO 0.15 -0.21 0.34 0.39 0.10 0.00 0.00 175.35 176.11 1xqq n GLU 64 N 2.44 -2.33 -3.58 1.78 1.02 -0.26 -5.01 120.64 114.69 1xqq n GLU 64 Ca 0.05 0.28 -0.31 0.00 -0.02 0.00 0.00 57.16 57.16 1xqq n GLU 64 Cb 0.43 -3.69 -0.05 0.00 -0.02 0.00 0.00 31.44 28.11 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 -3.05 6.51 -0.25 1.62 0.01 -1.23 -4.77 113.70 112.55 1xqq s SER 65 Ca 0.17 0.66 -0.12 0.00 1.31 0.00 0.00 55.95 57.97 1xqq s SER 65 Cb -0.07 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 1xqq s SER 65 CO 0.21 -0.01 0.23 -0.89 0.41 0.00 0.00 173.24 173.19 1xqq s THR 66 N -1.75 5.30 0.09 1.44 2.01 -1.26 -0.12 115.64 121.35 1xqq s THR 66 Ca 0.43 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.81 1xqq s THR 66 Cb -0.12 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1xqq s THR 66 CO 0.25 0.29 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.53 1xqq s LEU 67 N 1.37 2.69 -0.25 4.42 1.02 0.15 -4.84 118.68 123.25 1xqq s LEU 67 Ca 0.10 -0.50 -0.15 0.00 0.02 0.00 0.00 54.13 53.60 1xqq s LEU 67 Cb -0.15 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1xqq s LEU 67 CO 0.07 0.21 0.39 -1.00 0.02 0.00 0.00 176.35 176.04 1xqq s HIS 68 N -1.07 3.29 -0.36 0.29 3.76 -0.98 -1.20 115.29 119.03 1xqq s HIS 68 Ca 0.17 0.49 -0.28 0.00 -0.15 0.00 0.00 55.06 55.30 1xqq s HIS 68 Cb -0.11 -2.56 0.02 0.00 1.11 0.00 0.00 32.58 31.04 1xqq s HIS 68 CO 0.09 -0.15 1.02 -1.17 -0.85 0.00 0.00 174.74 173.67 1xqq s LEU 69 N 1.82 3.92 0.23 0.89 2.96 0.41 -1.84 118.68 127.06 1xqq s LEU 69 Ca 0.17 0.80 0.11 0.00 -0.22 0.00 0.00 54.13 54.98 1xqq s LEU 69 Cb -0.15 -3.43 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1xqq s LEU 69 CO 0.09 -0.91 -0.16 0.68 -1.32 0.00 0.00 176.35 174.72 1xqq s VAL 70 N 3.68 2.72 -0.09 1.68 -7.23 0.66 -4.26 120.40 117.56 1xqq s VAL 70 Ca 0.43 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1xqq s VAL 70 Cb -0.11 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1xqq s VAL 70 CO 0.19 -0.25 1.33 -0.22 -0.31 0.00 0.00 175.10 175.83 1xqq s LEU 71 N -3.14 4.25 -0.33 1.32 2.96 -1.26 -0.89 118.68 121.60 1xqq s LEU 71 Ca 0.26 1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 55.76 1xqq s LEU 71 Cb -0.07 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.09 1xqq s LEU 71 CO 0.14 -0.73 1.18 -0.60 -1.32 0.00 0.00 176.35 175.02 1xqq s ARG 72 N 3.01 3.96 -0.83 1.98 3.52 -0.62 -4.76 118.95 125.21 1xqq s ARG 72 Ca 0.59 1.09 0.01 0.00 -0.13 0.00 0.00 55.73 57.29 1xqq s ARG 72 Cb -0.26 -3.82 0.21 0.00 -1.56 0.00 0.00 34.95 29.52 1xqq s ARG 72 CO 0.21 -1.05 0.72 1.28 -0.81 0.00 0.00 175.30 175.65 1xqq n LEU 73 N 7.30 3.91 -4.43 -0.88 4.77 -1.26 -4.69 117.00 121.72 1xqq n LEU 73 Ca 0.13 -5.18 -0.21 0.00 -0.03 0.00 0.00 56.01 50.72 1xqq n LEU 73 Cb 0.47 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1xqq n LEU 73 CO 0.62 1.66 -0.25 -0.13 -1.33 0.00 0.00 177.39 177.96 1xqq s ARG 74 N -1.55 1.64 -0.75 3.23 1.81 -1.26 -5.11 118.95 116.97 1xqq s ARG 74 Ca 0.28 -1.92 0.04 0.00 -1.72 0.00 0.00 55.73 52.40 1xqq s ARG 74 Cb -0.04 -0.66 0.20 0.00 -0.45 0.00 0.00 34.95 34.00 1xqq s ARG 74 CO -0.12 -0.27 0.64 0.41 -0.68 0.00 0.00 175.30 175.28 1xqq n GLY 75 N -0.67 4.25 0.00 -3.53 0.00 -1.26 -5.11 105.19 98.87 1xqq n GLY 75 Ca -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.36 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93