#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 4.42 -0.05 3.17 -2.07 -1.26 -1.53 119.66 122.34 1xqq s GLN 2 Ca 0.00 1.54 0.04 0.00 -1.82 0.00 0.00 55.36 55.12 1xqq s GLN 2 Cb 0.00 -3.52 -0.02 0.00 -1.09 0.00 0.00 33.01 28.38 1xqq s GLN 2 CO 0.00 -0.32 -0.16 0.96 -1.32 0.00 0.00 175.29 174.45 1xqq s ILE 3 N 1.85 2.88 -0.42 3.63 -4.36 -0.01 -0.62 121.20 124.14 1xqq s ILE 3 Ca 0.53 -0.79 -0.15 0.00 -0.26 0.00 0.00 60.65 59.98 1xqq s ILE 3 Cb -0.22 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.40 1xqq s ILE 3 CO 0.22 0.59 0.32 -0.36 0.24 0.00 0.00 174.94 175.95 1xqq s PHE 4 N -0.65 3.24 -0.51 1.37 0.08 -0.41 -1.78 117.98 119.31 1xqq s PHE 4 Ca 0.10 -0.64 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 1xqq s PHE 4 Cb -0.11 -2.70 0.05 0.00 -0.57 0.00 0.00 43.02 39.69 1xqq s PHE 4 CO 0.01 -0.63 0.71 0.08 -0.10 0.00 0.00 175.22 175.28 1xqq s VAL 5 N 1.69 4.75 0.09 -0.44 1.01 -0.27 -0.82 120.40 126.40 1xqq s VAL 5 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1xqq s VAL 5 Cb -0.20 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1xqq s VAL 5 CO 0.09 -0.87 0.69 -0.54 0.00 0.00 0.00 175.10 174.47 1xqq s LYS 6 N 2.98 4.42 0.53 2.72 1.02 0.12 -0.19 119.74 131.35 1xqq s LYS 6 Ca 0.19 0.97 0.09 0.00 0.02 0.00 0.00 55.97 57.24 1xqq s LYS 6 Cb -0.17 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.91 1xqq s LYS 6 CO 0.14 0.50 0.73 0.95 -0.92 0.00 0.00 175.35 176.75 1xqq s THR 7 N -0.76 2.39 -0.04 2.17 -4.23 -0.65 -1.05 115.64 113.48 1xqq s THR 7 Ca 0.34 -1.00 -0.21 0.00 -1.18 0.00 0.00 61.69 59.65 1xqq s THR 7 Cb -0.21 -2.40 -0.14 0.00 1.34 0.00 0.00 72.50 71.09 1xqq s THR 7 CO 0.22 0.00 0.89 0.25 -0.54 0.00 0.00 174.62 175.44 1xqq h LEU 8 N 0.31 -0.27 0.45 4.79 5.85 -1.90 -3.33 115.31 121.21 1xqq h LEU 8 Ca -0.33 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1xqq h LEU 8 Cb 1.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1xqq h LEU 8 CO 0.42 0.22 -0.34 0.71 -0.34 0.00 0.00 178.44 179.11 1xqq h THR 9 N -0.90 0.00 0.00 1.05 1.35 -1.97 -3.49 112.91 108.95 1xqq h THR 9 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1xqq h THR 9 Cb 0.50 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1xqq h THR 9 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1xqq n GLY 10 N -1.41 -1.10 3.54 5.82 0.00 -1.25 -5.19 105.19 105.61 1xqq n GLY 10 Ca -0.09 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 1.81 -0.11 1.61 2.20 -1.26 -4.96 119.74 119.03 1xqq s LYS 11 Ca 0.00 -1.96 0.02 0.00 -0.36 0.00 0.00 55.97 53.67 1xqq s LYS 11 Cb 0.00 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 34.74 1xqq s LYS 11 CO 0.00 0.06 -0.19 0.99 -0.36 0.00 0.00 175.35 175.85 1xqq s THR 12 N -2.72 2.48 -0.37 3.43 2.01 -1.26 -1.64 115.64 117.56 1xqq s THR 12 Ca 0.33 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1xqq s THR 12 Cb 0.05 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1xqq s THR 12 CO 0.16 0.55 0.25 -0.63 -0.69 0.00 0.00 174.62 174.26 1xqq s ILE 13 N 0.32 5.06 -0.34 1.82 1.01 0.74 -4.93 121.20 124.86 1xqq s ILE 13 Ca -0.15 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 1xqq s ILE 13 Cb -0.17 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1xqq s ILE 13 CO 0.07 -0.18 0.51 -0.89 0.00 0.00 0.00 174.94 174.46 1xqq s THR 14 N 1.66 5.02 -0.07 2.92 2.01 -1.26 -1.12 115.64 124.80 1xqq s THR 14 Ca 0.05 0.39 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1xqq s THR 14 Cb -0.18 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1xqq s THR 14 CO 0.09 -0.19 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.83 1xqq s LEU 15 N 2.39 2.14 -0.72 4.42 1.43 -0.74 -4.96 118.68 122.63 1xqq s LEU 15 Ca 0.19 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 1xqq s LEU 15 Cb -0.15 -1.40 0.16 0.00 0.03 0.00 0.00 46.19 44.82 1xqq s LEU 15 CO 0.13 0.23 0.75 -1.61 0.23 0.00 0.00 176.35 176.09 1xqq s GLU 16 N -0.08 3.33 0.27 1.70 2.02 -1.26 -0.83 118.70 123.85 1xqq s GLU 16 Ca -0.06 -1.90 0.12 0.00 0.02 0.00 0.00 54.97 53.15 1xqq s GLU 16 Cb -0.14 -4.44 -0.05 0.00 0.10 0.00 0.00 34.13 29.60 1xqq s GLU 16 CO 0.05 -1.44 -0.19 0.14 0.02 0.00 0.00 175.26 173.83 1xqq s VAL 17 N 1.52 2.54 0.20 2.63 -7.23 -0.58 -4.84 120.40 114.64 1xqq s VAL 17 Ca 0.16 -2.32 0.09 0.00 -1.81 0.00 0.00 61.98 58.10 1xqq s VAL 17 Cb -0.17 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1xqq s VAL 17 CO -0.03 -0.36 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.73 1xqq s GLU 18 N -3.41 2.14 0.00 4.82 0.41 -1.26 -0.70 118.70 120.70 1xqq s GLU 18 Ca 0.29 -1.30 0.08 0.00 -0.41 0.00 0.00 54.97 53.63 1xqq s GLU 18 Cb -0.06 -2.17 0.35 0.00 -1.78 0.00 0.00 34.13 30.48 1xqq s GLU 18 CO 0.15 0.42 1.25 -0.35 -0.49 0.00 0.00 175.26 176.23 1xqq n PRO 19 N -0.21 0.01 0.01 0.39 -0.04 -1.26 -2.14 135.00 131.76 1xqq n PRO 19 Ca -0.09 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1xqq n PRO 19 Cb 0.56 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.48 0.69 -4.76 3.54 7.64 -1.26 -1.30 113.62 116.69 1xqq n SER 20 Ca 0.02 -0.49 -0.39 0.00 1.01 0.00 0.00 58.87 59.02 1xqq n SER 20 Cb 0.09 0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 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 -3.27 6.06 0.46 6.43 1.01 -0.91 -4.85 116.67 121.60 1xqq s ASP 21 Ca 0.08 2.70 0.01 0.00 0.71 0.00 0.00 52.55 56.04 1xqq s ASP 21 Cb 0.16 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1xqq s ASP 21 CO 0.79 -1.03 0.68 0.42 0.21 0.00 0.00 175.17 176.23 1xqq s THR 22 N -1.28 3.85 0.35 -1.27 -4.23 -1.26 -3.03 115.64 108.77 1xqq s THR 22 Ca 0.60 -0.53 0.09 0.00 -1.18 0.00 0.00 61.69 60.68 1xqq s THR 22 Cb -0.39 -3.42 0.10 0.00 1.34 0.00 0.00 72.50 70.13 1xqq s THR 22 CO 0.49 -0.29 1.81 0.40 -0.54 0.00 0.00 174.62 176.49 1xqq h ILE 23 N 0.38 1.25 -0.62 2.99 1.08 -0.71 -1.48 117.51 120.40 1xqq h ILE 23 Ca -0.46 -1.19 0.13 0.00 -0.39 0.00 0.00 64.86 62.95 1xqq h ILE 23 Cb 1.26 1.52 -0.10 0.00 -3.07 0.00 0.00 36.82 36.43 1xqq h ILE 23 CO 0.56 0.36 0.01 -0.08 -0.69 0.00 0.00 178.15 178.31 1xqq h GLU 24 N 0.15 0.13 0.00 2.37 4.81 -0.59 0.15 114.58 121.59 1xqq h GLU 24 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xqq h GLU 24 Cb 0.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1xqq h GLU 24 CO 0.04 0.08 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.41 1xqq h ASN 25 N 0.13 0.00 0.02 1.04 2.35 -1.64 -2.35 115.58 115.13 1xqq h ASN 25 Ca 0.32 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 1xqq h ASN 25 Cb 0.53 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1xqq h ASN 25 CO -0.52 0.01 -0.34 0.58 -1.65 0.00 0.00 177.43 175.51 1xqq h VAL 26 N 0.00 1.55 -0.99 2.81 2.07 -0.22 -3.11 116.25 118.37 1xqq h VAL 26 Ca 0.00 -2.09 0.21 0.00 0.82 0.00 0.00 66.70 65.65 1xqq h VAL 26 Cb 0.81 2.87 -0.10 0.00 -1.52 0.00 0.00 31.29 33.35 1xqq h VAL 26 CO 0.00 0.58 0.62 0.11 0.02 0.00 0.00 177.57 178.89 1xqq h LYS 27 N -0.49 0.60 -0.61 1.57 1.57 -0.75 0.71 116.57 119.18 1xqq h LYS 27 Ca -0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1xqq h LYS 27 Cb 1.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1xqq h LYS 27 CO 0.07 0.40 0.25 0.00 -0.57 0.00 0.00 179.45 179.60 1xqq h ALA 28 N 1.64 1.29 -0.05 3.86 0.00 -1.44 -0.73 119.26 123.85 1xqq h ALA 28 Ca 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1xqq h ALA 28 Cb 1.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xqq h ALA 28 CO -0.34 0.53 -0.02 0.87 0.00 0.00 0.00 179.25 180.29 1xqq h LYS 29 N 0.87 0.10 -0.52 0.00 1.79 -0.80 -1.60 116.57 116.41 1xqq h LYS 29 Ca 0.21 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1xqq h LYS 29 Cb 0.16 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1xqq h LYS 29 CO -0.02 0.46 0.10 0.82 -1.08 0.00 0.00 179.45 179.73 1xqq h ILE 30 N -0.27 1.23 -0.77 1.86 2.04 -1.40 0.01 117.51 120.20 1xqq h ILE 30 Ca 0.01 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1xqq h ILE 30 Cb 0.43 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1xqq h ILE 30 CO 0.01 0.31 0.42 -0.61 0.00 0.00 0.00 178.15 178.27 1xqq h GLN 31 N 0.77 1.06 -0.12 2.37 4.15 -1.12 -1.47 115.11 120.75 1xqq h GLN 31 Ca 0.17 -0.12 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 1xqq h GLN 31 Cb 0.32 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.81 1xqq h GLN 31 CO 0.00 0.78 -0.47 0.22 -1.93 0.00 0.00 178.83 177.43 1xqq h ASP 32 N 1.07 0.63 0.01 -0.69 3.58 -0.03 -2.89 116.42 118.10 1xqq h ASP 32 Ca 0.27 -0.62 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1xqq h ASP 32 Cb 0.03 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1xqq h ASP 32 CO -0.04 1.14 -0.01 0.50 -2.88 0.00 0.00 179.24 177.95 1xqq h LYS 33 N 0.15 -0.01 -0.02 0.28 3.64 -1.12 -3.38 116.57 116.11 1xqq h LYS 33 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xqq h LYS 33 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1xqq h LYS 33 CO 0.10 -0.01 -0.18 0.39 -2.27 0.00 0.00 179.45 177.48 1xqq n GLU 34 N -2.05 1.45 -3.11 1.90 -0.58 -0.56 -4.97 120.64 112.72 1xqq n GLU 34 Ca -0.00 -1.03 -0.14 0.00 -0.42 0.00 0.00 57.16 55.58 1xqq n GLU 34 Cb 0.01 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.45 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 1.31 0.04 3.31 0.62 0.00 -1.09 -5.02 105.19 104.37 1xqq n GLY 35 Ca 0.14 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.20 4.29 0.48 -0.61 -1.09 -1.25 -5.04 121.20 114.79 1xqq s ILE 36 Ca 0.30 -1.14 -0.23 0.00 -2.23 0.00 0.00 60.65 57.35 1xqq s ILE 36 Cb -0.13 -3.50 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1xqq s ILE 36 CO 0.44 -0.34 1.17 -2.65 -1.23 0.00 0.00 174.94 172.33 1xqq n PRO 37 N 4.93 1.55 0.09 2.79 -0.02 -1.26 -4.03 135.00 139.05 1xqq n PRO 37 Ca -0.11 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1xqq n PRO 37 Cb 0.44 -2.31 0.44 0.00 -0.02 0.00 0.00 33.50 32.05 1xqq n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xqq n PRO 38 N -0.36 0.14 0.00 0.52 -0.04 -1.26 -1.06 135.00 132.93 1xqq n PRO 38 Ca 0.09 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1xqq n PRO 38 Cb 0.42 -1.75 0.42 0.00 -0.04 0.00 0.00 33.50 32.55 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xqq n ASP 39 N -2.01 0.33 -0.00 3.54 5.75 -1.26 -3.23 116.55 119.67 1xqq n ASP 39 Ca 0.03 -0.02 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 1xqq n ASP 39 Cb 0.22 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.16 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xqq n GLN 40 N -1.43 1.36 -2.61 0.11 6.02 -0.23 -4.76 117.38 115.85 1xqq n GLN 40 Ca 0.07 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1xqq n GLN 40 Cb 0.33 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 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 -2.67 3.21 -0.49 -1.09 -0.21 -1.06 -0.55 119.66 116.80 1xqq s GLN 41 Ca -0.00 -0.41 -0.21 0.00 0.02 0.00 0.00 55.36 54.76 1xqq s GLN 41 Cb 0.10 -4.27 0.04 0.00 1.00 0.00 0.00 33.01 29.88 1xqq s GLN 41 CO 0.58 -2.09 0.69 0.50 -2.12 0.00 0.00 175.29 172.84 1xqq s ARG 42 N 5.38 3.22 -0.15 2.91 3.52 -0.64 -4.82 118.95 128.36 1xqq s ARG 42 Ca 0.33 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 55.25 1xqq s ARG 42 Cb -0.09 -4.04 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 1xqq s ARG 42 CO 0.12 -1.20 0.18 -0.51 -0.81 0.00 0.00 175.30 173.08 1xqq s LEU 43 N 2.95 4.30 -0.07 -0.88 1.43 -1.26 -0.73 118.68 124.43 1xqq s LEU 43 Ca 0.21 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1xqq s LEU 43 Cb -0.16 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1xqq s LEU 43 CO 0.16 0.26 -0.20 -0.63 0.23 0.00 0.00 176.35 176.17 1xqq s ILE 44 N -0.24 1.70 -0.33 -0.59 -1.09 0.55 -2.40 121.20 118.80 1xqq s ILE 44 Ca 0.13 -0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1xqq s ILE 44 Cb -0.12 -1.47 0.02 0.00 -1.58 0.00 0.00 42.46 39.31 1xqq s ILE 44 CO 0.02 0.48 0.12 0.12 -1.23 0.00 0.00 174.94 174.45 1xqq s PHE 45 N 0.18 3.21 0.00 3.97 5.36 -0.72 -0.59 117.98 129.39 1xqq s PHE 45 Ca -0.10 -1.14 0.00 0.00 -0.96 0.00 0.00 56.93 54.73 1xqq s PHE 45 Cb -0.15 -2.30 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1xqq s PHE 45 CO 0.05 -0.65 0.00 0.00 -1.46 0.00 0.00 175.22 173.16 1xqq n ALA 46 N 4.87 0.00 -1.58 11.12 0.00 -1.26 -0.35 120.51 133.31 1xqq n ALA 46 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 -0.21 3.66 0.00 0.00 -1.26 -5.07 105.19 102.31 1xqq n GLY 47 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.21 4.22 -0.54 1.61 1.02 0.52 -5.03 119.74 121.33 1xqq s LYS 48 Ca 0.02 0.78 -0.25 0.00 0.02 0.00 0.00 55.97 56.53 1xqq s LYS 48 Cb 0.02 -3.60 0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1xqq s LYS 48 CO 0.00 -0.33 0.99 -1.14 -0.92 0.00 0.00 175.35 173.95 1xqq s GLN 49 N 2.20 3.40 0.35 1.68 0.74 -1.26 -1.75 119.66 125.01 1xqq s GLN 49 Ca 0.32 -0.10 -0.29 0.00 0.05 0.00 0.00 55.36 55.35 1xqq s GLN 49 Cb -0.16 -4.03 -0.11 0.00 1.10 0.00 0.00 33.01 29.82 1xqq s GLN 49 CO 0.10 -1.49 1.42 -0.51 -0.55 0.00 0.00 175.29 174.26 1xqq s LEU 50 N 4.12 4.37 -0.10 3.68 1.43 -1.01 -5.02 118.68 126.14 1xqq s LEU 50 Ca 0.34 2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 56.26 1xqq s LEU 50 Cb -0.11 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1xqq s LEU 50 CO 0.22 -0.73 0.14 -1.61 0.23 0.00 0.00 176.35 174.59 1xqq s GLU 51 N -1.80 3.42 0.12 1.70 0.41 -1.26 -4.76 118.70 116.52 1xqq s GLU 51 Ca 0.52 -0.17 -0.26 0.00 -0.41 0.00 0.00 54.97 54.65 1xqq s GLU 51 Cb -0.44 -3.16 -0.07 0.00 -1.78 0.00 0.00 34.13 28.69 1xqq s GLU 51 CO 0.57 0.76 1.64 -0.44 -0.49 0.00 0.00 175.26 177.31 1xqq h ASP 52 N 4.85 -0.71 -0.04 -0.19 5.19 -1.96 -2.90 116.42 120.66 1xqq h ASP 52 Ca -0.54 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1xqq h ASP 52 Cb 1.22 0.28 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1xqq h ASP 52 CO 0.59 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 177.00 1xqq n GLY 53 N -1.37 -0.80 3.86 2.75 0.00 -1.26 0.11 105.19 108.49 1xqq n GLY 53 Ca -0.06 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.95 2.48 0.45 1.61 1.81 -1.10 -4.92 118.95 117.33 1xqq s ARG 54 Ca 0.16 -1.60 0.07 0.00 -1.72 0.00 0.00 55.73 52.64 1xqq s ARG 54 Cb 0.08 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.24 1xqq s ARG 54 CO 0.12 -0.21 0.32 0.95 -0.68 0.00 0.00 175.30 175.80 1xqq s THR 55 N -2.50 2.26 0.12 0.02 -4.23 -1.26 -1.28 115.64 108.77 1xqq s THR 55 Ca 0.47 -1.50 -0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1xqq s THR 55 Cb -0.02 -2.76 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 1xqq s THR 55 CO 0.27 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.04 1xqq h LEU 56 N 1.09 0.15 -2.53 4.79 3.38 -1.59 -3.05 115.31 117.54 1xqq h LEU 56 Ca -0.41 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1xqq h LEU 56 Cb 1.27 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xqq h LEU 56 CO 0.62 0.11 0.09 0.77 0.09 0.00 0.00 178.44 180.11 1xqq h SER 57 N 0.21 0.00 0.01 -0.43 4.64 -1.41 0.09 113.55 116.66 1xqq h SER 57 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xqq h SER 57 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xqq h SER 57 CO -0.05 0.00 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.12 1xqq h ASP 58 N 0.00 -0.02 1.25 4.97 3.58 -1.84 -3.32 116.42 121.04 1xqq h ASP 58 Ca 0.02 -0.67 -0.02 0.00 0.42 0.00 0.00 57.03 56.78 1xqq h ASP 58 Cb 0.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1xqq h ASP 58 CO -0.00 0.68 -0.11 1.88 -2.88 0.00 0.00 179.24 178.81 1xqq h TYR 59 N -0.73 0.00 -1.72 0.28 0.05 -1.54 -3.47 116.97 109.84 1xqq h TYR 59 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xqq h TYR 59 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1xqq h TYR 59 CO 0.17 0.11 0.00 0.09 -1.05 0.00 0.00 178.16 177.48 1xqq n ASN 60 N -3.20 -1.92 -4.73 3.88 3.02 -0.63 -5.08 115.26 106.61 1xqq n ASN 60 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.15 1xqq n ASN 60 Cb 0.43 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 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 -2.93 4.21 0.00 2.41 1.01 -0.08 -5.01 121.20 120.81 1xqq s ILE 61 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1xqq s ILE 61 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1xqq s ILE 61 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1xqq n GLN 62 N 2.65 3.77 -1.85 2.79 6.02 -1.26 -4.45 117.38 125.05 1xqq n GLN 62 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 1xqq n GLN 62 Cb 0.48 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.76 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 1.19 3.39 -1.53 -1.09 -2.85 -1.26 -4.14 119.74 113.45 1xqq s LYS 63 Ca 0.00 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 55.86 1xqq s LYS 63 Cb 0.00 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 1xqq s LYS 63 CO 0.00 -0.74 0.00 0.39 0.10 0.00 0.00 175.35 175.10 1xqq n GLU 64 N -2.65 -1.18 -3.44 1.78 1.02 0.20 -4.95 120.64 111.43 1xqq n GLU 64 Ca 0.07 0.92 -0.33 0.00 -0.02 0.00 0.00 57.16 57.80 1xqq n GLU 64 Cb 0.54 -5.19 -0.05 0.00 -0.02 0.00 0.00 31.44 26.71 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 -2.58 6.66 -0.26 1.62 0.01 -1.26 -4.83 113.70 113.07 1xqq s SER 65 Ca 0.00 0.92 -0.09 0.00 1.31 0.00 0.00 55.95 58.09 1xqq s SER 65 Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1xqq s SER 65 CO 0.00 -0.01 0.13 -0.89 0.41 0.00 0.00 173.24 172.88 1xqq s THR 66 N -1.69 4.85 0.26 1.44 2.01 -1.26 -1.29 115.64 119.96 1xqq s THR 66 Ca 0.44 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.53 1xqq s THR 66 Cb -0.12 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1xqq s THR 66 CO 0.21 0.31 0.11 -0.76 -0.69 0.00 0.00 174.62 173.79 1xqq s LEU 67 N 1.58 3.51 -0.06 4.42 1.02 -0.00 -4.74 118.68 124.41 1xqq s LEU 67 Ca 0.07 -0.45 0.05 0.00 0.02 0.00 0.00 54.13 53.81 1xqq s LEU 67 Cb -0.15 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 1xqq s LEU 67 CO 0.07 -0.04 -0.21 -1.00 0.02 0.00 0.00 176.35 175.19 1xqq s HIS 68 N -2.23 2.15 -0.20 0.29 3.76 0.24 0.15 115.29 119.46 1xqq s HIS 68 Ca 0.33 -0.68 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 1xqq s HIS 68 Cb -0.07 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1xqq s HIS 68 CO 0.23 -0.23 0.12 -1.17 -0.85 0.00 0.00 174.74 172.83 1xqq s LEU 69 N 0.03 4.15 0.30 0.89 2.96 -0.21 -0.33 118.68 126.46 1xqq s LEU 69 Ca -0.07 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1xqq s LEU 69 Cb -0.14 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1xqq s LEU 69 CO 0.04 0.18 0.03 0.68 -1.32 0.00 0.00 176.35 175.96 1xqq s VAL 70 N 0.37 1.20 -0.15 1.68 -7.23 0.10 -3.53 120.40 112.83 1xqq s VAL 70 Ca 0.07 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.01 1xqq s VAL 70 Cb -0.11 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1xqq s VAL 70 CO -0.02 -0.11 0.63 -0.22 -0.31 0.00 0.00 175.10 175.07 1xqq s LEU 71 N -3.44 4.21 0.04 1.32 2.96 -1.26 -1.63 118.68 120.88 1xqq s LEU 71 Ca 0.34 0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 54.96 1xqq s LEU 71 Cb 0.07 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.79 1xqq s LEU 71 CO 0.14 -0.19 0.64 -0.60 -1.32 0.00 0.00 176.35 175.02 1xqq s ARG 72 N 1.42 4.36 -0.11 1.98 3.52 0.29 -4.77 118.95 125.63 1xqq s ARG 72 Ca 0.31 0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 56.74 1xqq s ARG 72 Cb -0.16 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1xqq s ARG 72 CO 0.12 0.42 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.45 1xqq s LEU 73 N -0.43 3.08 0.64 -0.88 1.43 -1.26 -4.71 118.68 116.56 1xqq s LEU 73 Ca 0.33 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1xqq s LEU 73 Cb -0.19 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1xqq s LEU 73 CO 0.20 0.25 1.00 0.00 0.23 0.00 0.00 176.35 178.03 1xqq s ARG 74 N -0.15 2.97 0.00 1.70 1.70 -1.26 -4.61 118.95 119.30 1xqq s ARG 74 Ca 0.02 0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1xqq s ARG 74 Cb -0.13 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 1xqq s ARG 74 CO 0.03 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.83 1xqq n GLY 75 N -2.79 1.22 0.00 3.88 0.00 -1.26 -5.29 105.19 100.96 1xqq n GLY 75 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93