#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 4.54 0.19 3.17 0.74 -1.26 -1.40 119.66 125.64 1xqq s GLN 2 Ca 0.00 1.18 0.04 0.00 0.05 0.00 0.00 55.36 56.63 1xqq s GLN 2 Cb 0.00 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1xqq s GLN 2 CO 0.00 0.17 -0.04 0.96 -0.55 0.00 0.00 175.29 175.83 1xqq s ILE 3 N 0.30 1.04 0.31 -2.34 -4.36 -0.67 0.08 121.20 115.57 1xqq s ILE 3 Ca 0.43 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.84 1xqq s ILE 3 Cb -0.21 -2.11 -0.06 0.00 1.25 0.00 0.00 42.46 41.33 1xqq s ILE 3 CO 0.25 -0.52 -0.04 -0.36 0.24 0.00 0.00 174.94 174.51 1xqq s PHE 4 N -3.41 2.08 -0.10 1.37 0.08 0.51 -1.25 117.98 117.26 1xqq s PHE 4 Ca 0.23 -0.71 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1xqq s PHE 4 Cb 0.04 -1.25 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1xqq s PHE 4 CO 0.05 0.30 0.36 0.08 -0.10 0.00 0.00 175.22 175.90 1xqq s VAL 5 N -2.97 0.02 -0.03 -0.44 1.01 -0.16 -1.96 120.40 115.87 1xqq s VAL 5 Ca 0.32 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1xqq s VAL 5 Cb 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1xqq s VAL 5 CO 0.14 -0.08 -0.24 -0.75 0.00 0.00 0.00 175.10 174.17 1xqq s LYS 6 N -0.29 2.25 0.73 2.72 2.47 -0.71 0.37 119.74 127.28 1xqq s LYS 6 Ca -0.04 -0.89 -0.10 0.00 -1.56 0.00 0.00 55.97 53.37 1xqq s LYS 6 Cb -0.03 -2.11 0.05 0.00 -1.46 0.00 0.00 37.83 34.28 1xqq s LYS 6 CO 0.02 0.53 1.09 0.95 0.16 0.00 0.00 175.35 178.10 1xqq s THR 7 N -0.53 2.67 0.10 3.43 -4.23 -0.44 -3.40 115.64 113.24 1xqq s THR 7 Ca 0.08 0.08 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 1xqq s THR 7 Cb -0.11 -3.19 -0.11 0.00 1.34 0.00 0.00 72.50 70.44 1xqq s THR 7 CO 0.00 -0.23 1.64 0.25 -0.54 0.00 0.00 174.62 175.74 1xqq h LEU 8 N -0.75 -0.74 0.33 4.79 5.85 -1.92 -3.13 115.31 119.74 1xqq h LEU 8 Ca -0.45 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1xqq h LEU 8 Cb 1.30 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1xqq h LEU 8 CO 0.64 -0.38 -0.16 0.71 -0.34 0.00 0.00 178.44 178.91 1xqq h THR 9 N -0.53 0.69 0.00 1.05 1.35 -1.95 -3.47 112.91 110.04 1xqq h THR 9 Ca 0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1xqq h THR 9 Cb 0.52 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1xqq h THR 9 CO -0.10 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1xqq n GLY 10 N -0.92 -0.67 3.03 5.82 0.00 -1.18 -5.17 105.19 106.10 1xqq n GLY 10 Ca -0.10 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 2.13 -0.58 1.61 2.20 -1.25 -4.88 119.74 118.97 1xqq s LYS 11 Ca 0.00 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 1xqq s LYS 11 Cb 0.00 -1.86 0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1xqq s LYS 11 CO 0.00 -0.10 1.22 0.99 -0.36 0.00 0.00 175.35 177.10 1xqq s THR 12 N 1.11 3.99 -0.35 3.43 2.01 -1.26 -1.33 115.64 123.23 1xqq s THR 12 Ca -0.04 0.88 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 1xqq s THR 12 Cb -0.14 -4.70 0.02 0.00 0.01 0.00 0.00 72.50 67.69 1xqq s THR 12 CO -0.03 -1.32 1.03 -0.63 -0.69 0.00 0.00 174.62 172.98 1xqq s ILE 13 N 5.08 4.50 -0.53 1.82 1.01 0.16 -4.91 121.20 128.33 1xqq s ILE 13 Ca 0.44 1.50 -0.19 0.00 0.00 0.00 0.00 60.65 62.41 1xqq s ILE 13 Cb -0.08 -4.41 0.07 0.00 0.01 0.00 0.00 42.46 38.05 1xqq s ILE 13 CO 0.25 -0.56 0.64 -0.89 0.00 0.00 0.00 174.94 174.39 1xqq s THR 14 N 3.68 4.87 0.33 2.92 2.01 -1.26 -0.99 115.64 127.20 1xqq s THR 14 Ca 0.43 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1xqq s THR 14 Cb -0.11 -4.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1xqq s THR 14 CO 0.18 -0.88 0.50 -0.76 -0.69 0.00 0.00 174.62 172.97 1xqq s LEU 15 N 2.62 4.02 -0.21 4.42 1.43 -0.38 -4.96 118.68 125.63 1xqq s LEU 15 Ca 0.14 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 15 Cb -0.21 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.03 1xqq s LEU 15 CO 0.10 -0.35 -0.12 -1.61 0.23 0.00 0.00 176.35 174.61 1xqq s GLU 16 N -4.22 3.09 0.26 1.70 2.02 -1.26 -1.66 118.70 118.62 1xqq s GLU 16 Ca 0.41 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.66 1xqq s GLU 16 Cb -0.09 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 1xqq s GLU 16 CO 0.33 -0.24 -0.02 0.14 0.02 0.00 0.00 175.26 175.48 1xqq s VAL 17 N 1.36 1.34 0.28 2.63 -7.23 -0.49 -4.96 120.40 113.33 1xqq s VAL 17 Ca 0.04 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1xqq s VAL 17 Cb -0.14 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1xqq s VAL 17 CO -0.08 -0.29 0.27 -1.61 -0.31 0.00 0.00 175.10 173.08 1xqq s GLU 18 N -3.80 2.97 0.00 4.82 0.41 -1.26 0.34 118.70 122.17 1xqq s GLU 18 Ca 0.29 -1.07 0.30 0.00 -0.41 0.00 0.00 54.97 54.08 1xqq s GLU 18 Cb 0.05 -2.61 1.40 0.00 -1.78 0.00 0.00 34.13 31.19 1xqq s GLU 18 CO 0.11 0.30 1.98 -0.35 -0.49 0.00 0.00 175.26 176.80 1xqq n PRO 19 N -1.30 0.40 -0.05 0.39 -0.04 -1.26 -1.78 135.00 131.36 1xqq n PRO 19 Ca -0.06 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1xqq n PRO 19 Cb 0.58 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 33.01 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.26 1.35 -4.87 3.54 3.41 -1.26 -0.66 113.62 113.87 1xqq n SER 20 Ca 0.13 -1.59 -0.31 0.00 -0.26 0.00 0.00 58.87 56.84 1xqq n SER 20 Cb 0.26 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.70 6.61 0.41 4.04 1.01 -0.73 -4.87 116.67 121.43 1xqq s ASP 21 Ca 0.34 1.12 0.02 0.00 0.71 0.00 0.00 52.55 54.73 1xqq s ASP 21 Cb 0.18 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1xqq s ASP 21 CO 0.28 -0.28 0.61 0.42 0.21 0.00 0.00 175.17 176.41 1xqq s THR 22 N -2.16 4.16 0.24 -1.27 -4.23 -1.26 -2.83 115.64 108.29 1xqq s THR 22 Ca 0.51 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1xqq s THR 22 Cb -0.10 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1xqq s THR 22 CO 0.26 -0.32 1.62 0.40 -0.54 0.00 0.00 174.62 176.04 1xqq h ILE 23 N 0.55 1.30 -0.78 2.99 1.08 -0.55 -1.14 117.51 120.96 1xqq h ILE 23 Ca -0.47 -1.56 0.07 0.00 -0.39 0.00 0.00 64.86 62.52 1xqq h ILE 23 Cb 1.25 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 36.53 1xqq h ILE 23 CO 0.57 0.49 0.45 -0.08 -0.69 0.00 0.00 178.15 178.89 1xqq h GLU 24 N 0.39 0.78 -0.07 2.37 4.81 -1.07 -1.73 114.58 120.06 1xqq h GLU 24 Ca 0.03 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1xqq h GLU 24 Cb 0.88 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1xqq h GLU 24 CO 0.07 0.52 -0.56 -0.97 -0.73 0.00 0.00 179.01 177.34 1xqq h ASN 25 N 0.80 0.24 0.19 1.04 -0.73 -1.71 -1.68 115.58 113.73 1xqq h ASN 25 Ca 0.36 -0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1xqq h ASN 25 Cb 0.25 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 1xqq h ASN 25 CO -0.21 0.75 -0.46 0.58 -0.37 0.00 0.00 177.43 177.72 1xqq h VAL 26 N 0.17 0.00 -0.89 2.57 2.07 -0.74 -2.01 116.25 117.43 1xqq h VAL 26 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 1xqq h VAL 26 Cb 1.03 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1xqq h VAL 26 CO 0.08 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.37 1xqq h LYS 27 N -0.72 0.45 -0.15 1.57 1.57 -0.97 -1.52 116.57 116.81 1xqq h LYS 27 Ca -0.02 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1xqq h LYS 27 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xqq h LYS 27 CO -0.20 0.30 -0.58 0.00 -0.57 0.00 0.00 179.45 178.39 1xqq h ALA 28 N 1.62 0.72 -0.72 3.86 0.00 -1.16 -1.26 119.26 122.31 1xqq h ALA 28 Ca 0.46 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xqq h ALA 28 Cb 1.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1xqq h ALA 28 CO -0.18 0.70 0.35 0.87 0.00 0.00 0.00 179.25 180.99 1xqq h LYS 29 N 0.36 1.04 -0.49 0.00 1.79 -0.53 -2.86 116.57 115.88 1xqq h LYS 29 Ca -0.00 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1xqq h LYS 29 Cb 1.12 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 1xqq h LYS 29 CO 0.10 0.81 0.10 0.82 -1.08 0.00 0.00 179.45 180.20 1xqq h ILE 30 N 1.01 1.22 -0.74 1.86 2.04 -0.85 -1.27 117.51 120.78 1xqq h ILE 30 Ca 0.25 -0.79 0.16 0.00 1.00 0.00 0.00 64.86 65.48 1xqq h ILE 30 Cb 0.11 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1xqq h ILE 30 CO -0.03 0.29 0.50 -0.61 0.00 0.00 0.00 178.15 178.30 1xqq h GLN 31 N 0.72 0.30 0.00 2.37 4.15 -1.14 -2.01 115.11 119.50 1xqq h GLN 31 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1xqq h GLN 31 Cb 0.29 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1xqq h GLN 31 CO 0.00 0.20 -0.00 0.22 -1.93 0.00 0.00 178.83 177.31 1xqq h ASP 32 N 0.30 -0.00 0.45 -0.69 3.58 -1.05 -2.54 116.42 116.48 1xqq h ASP 32 Ca 0.36 -0.84 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 1xqq h ASP 32 Cb 0.98 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1xqq h ASP 32 CO -0.09 0.91 -0.35 0.11 -2.88 0.00 0.00 179.24 176.94 1xqq h LYS 33 N -0.99 -0.74 0.00 0.28 1.79 -1.16 -3.37 116.57 112.38 1xqq h LYS 33 Ca -0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1xqq h LYS 33 Cb 0.84 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1xqq h LYS 33 CO 0.00 -0.50 -0.81 0.39 -1.08 0.00 0.00 179.45 177.46 1xqq n GLU 34 N -4.53 2.58 -2.77 3.15 -0.58 -0.77 -5.02 120.64 112.71 1xqq n GLU 34 Ca -0.09 -0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.53 1xqq n GLU 34 Cb 0.34 -1.05 0.03 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.48 0.30 3.56 0.62 0.00 -0.95 -5.02 105.19 105.17 1xqq n GLY 35 Ca 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.13 5.11 0.64 -0.61 -1.09 -1.26 -4.98 121.20 115.89 1xqq s ILE 36 Ca 0.14 0.24 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 1xqq s ILE 36 Cb -0.06 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1xqq s ILE 36 CO 0.28 -0.10 1.17 -2.84 -1.23 0.00 0.00 174.94 172.22 1xqq s PRO 37 N 2.17 2.76 0.00 2.79 0.02 -1.26 -3.68 135.00 137.79 1xqq s PRO 37 Ca 0.15 1.66 0.31 0.00 0.02 0.00 0.00 61.00 63.14 1xqq s PRO 37 Cb -0.16 -1.92 1.81 0.00 0.02 0.00 0.00 34.50 34.25 1xqq s PRO 37 CO 0.12 -1.34 2.15 -0.35 -0.33 0.00 0.00 177.00 177.25 1xqq n PRO 38 N -2.07 0.93 -0.09 5.54 -0.04 -1.26 -3.22 135.00 134.79 1xqq n PRO 38 Ca 0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1xqq n PRO 38 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.01 1.84 -0.03 3.54 5.75 -1.26 -4.46 116.55 120.92 1xqq n ASP 39 Ca 0.23 0.52 0.13 0.00 -0.01 0.00 0.00 54.79 55.65 1xqq n ASP 39 Cb 0.11 -0.91 0.51 0.00 -1.03 0.00 0.00 41.12 39.79 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 -4.51 0.18 -2.93 0.11 10.64 -1.21 -4.75 117.38 114.92 1xqq n GLN 40 Ca -0.21 -0.06 -0.28 0.00 -1.83 0.00 0.00 57.00 54.62 1xqq n GLN 40 Cb 0.50 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.36 1xqq n GLN 40 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1xqq s GLN 41 N -2.86 3.62 -0.02 2.61 -2.07 -1.20 -0.76 119.66 118.99 1xqq s GLN 41 Ca 0.17 0.17 -0.05 0.00 -1.82 0.00 0.00 55.36 53.84 1xqq s GLN 41 Cb 0.19 -2.47 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 1xqq s GLN 41 CO 0.57 -0.03 0.11 0.50 -1.32 0.00 0.00 175.29 175.12 1xqq s ARG 42 N -4.18 0.28 -0.08 9.60 3.52 -0.37 -4.53 118.95 123.21 1xqq s ARG 42 Ca 0.47 -0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.85 1xqq s ARG 42 Cb -0.10 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 1xqq s ARG 42 CO 0.37 -0.06 0.24 -0.51 -0.81 0.00 0.00 175.30 174.53 1xqq s LEU 43 N -0.63 4.42 -0.01 -0.88 1.43 -1.26 -1.49 118.68 120.27 1xqq s LEU 43 Ca -0.07 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1xqq s LEU 43 Cb -0.04 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1xqq s LEU 43 CO 0.01 0.38 -0.07 -0.63 0.23 0.00 0.00 176.35 176.26 1xqq s ILE 44 N -1.05 0.56 -0.34 -0.59 -1.09 -0.84 -3.33 121.20 114.52 1xqq s ILE 44 Ca 0.18 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1xqq s ILE 44 Cb -0.14 -0.48 0.06 0.00 -1.58 0.00 0.00 42.46 40.32 1xqq s ILE 44 CO 0.08 0.16 0.08 0.12 -1.23 0.00 0.00 174.94 174.15 1xqq s PHE 45 N -0.10 3.31 0.00 3.97 5.36 -0.67 -1.35 117.98 128.50 1xqq s PHE 45 Ca 0.02 -1.74 0.00 0.00 -0.96 0.00 0.00 56.93 54.25 1xqq s PHE 45 Cb -0.04 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 1xqq s PHE 45 CO -0.00 -0.80 0.00 0.00 -1.46 0.00 0.00 175.22 172.96 1xqq n ALA 46 N 4.71 0.00 -0.05 11.12 0.00 -1.26 -0.33 120.51 134.70 1xqq n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.74 3.77 0.00 0.00 -1.26 -5.01 105.19 103.43 1xqq n GLY 47 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.58 4.69 -0.26 1.61 -0.14 0.55 -5.02 119.74 120.59 1xqq s LYS 48 Ca 0.00 1.32 -0.16 0.00 -1.36 0.00 0.00 55.97 55.78 1xqq s LYS 48 Cb 0.00 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1xqq s LYS 48 CO 0.00 0.48 0.41 -1.14 -0.76 0.00 0.00 175.35 174.35 1xqq s GLN 49 N -1.38 4.05 -0.07 1.68 0.74 -1.26 -1.68 119.66 121.75 1xqq s GLN 49 Ca 0.41 0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.79 1xqq s GLN 49 Cb -0.23 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.19 1xqq s GLN 49 CO 0.28 -0.26 0.47 -0.51 -0.55 0.00 0.00 175.29 174.73 1xqq s LEU 50 N 2.01 4.35 -0.07 3.68 1.43 -1.21 -5.01 118.68 123.86 1xqq s LEU 50 Ca 0.17 0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 1xqq s LEU 50 Cb -0.16 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1xqq s LEU 50 CO 0.09 0.10 0.35 -0.70 0.23 0.00 0.00 176.35 176.42 1xqq s GLU 51 N 0.07 3.99 0.12 1.70 2.12 -1.26 -4.84 118.70 120.60 1xqq s GLU 51 Ca 0.26 0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.76 1xqq s GLU 51 Cb -0.16 -3.29 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 1xqq s GLU 51 CO 0.12 0.52 1.33 -0.44 -0.54 0.00 0.00 175.26 176.26 1xqq h ASP 52 N 5.49 0.78 0.00 -1.70 5.19 -1.97 -1.77 116.42 122.45 1xqq h ASP 52 Ca -0.48 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.40 1xqq h ASP 52 Cb 1.20 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1xqq h ASP 52 CO 0.66 1.31 0.00 0.61 -3.12 0.00 0.00 179.24 178.71 1xqq n GLY 53 N 0.71 -0.33 3.91 2.75 0.00 -1.26 -0.54 105.19 110.43 1xqq n GLY 53 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.80 2.46 0.47 1.61 0.52 -0.67 -4.89 118.95 116.65 1xqq s ARG 54 Ca 0.00 -1.63 0.07 0.00 -0.52 0.00 0.00 55.73 53.65 1xqq s ARG 54 Cb 0.00 -2.38 0.03 0.00 0.52 0.00 0.00 34.95 33.12 1xqq s ARG 54 CO 0.00 -0.37 0.65 0.95 0.02 0.00 0.00 175.30 176.54 1xqq s THR 55 N -2.55 2.80 0.22 0.02 -4.23 -1.26 -0.34 115.64 110.30 1xqq s THR 55 Ca 0.47 -0.93 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1xqq s THR 55 Cb -0.04 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.12 1xqq s THR 55 CO 0.28 0.00 1.83 -0.07 -0.54 0.00 0.00 174.62 176.12 1xqq h LEU 56 N 0.45 1.09 -1.60 4.79 3.38 -1.54 -2.92 115.31 118.95 1xqq h LEU 56 Ca -0.39 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1xqq h LEU 56 Cb 1.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1xqq h LEU 56 CO 0.45 0.90 0.22 0.28 0.09 0.00 0.00 178.44 180.38 1xqq h SER 57 N 1.20 0.43 -0.26 -0.43 0.02 -1.19 -0.17 113.55 113.14 1xqq h SER 57 Ca 0.30 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1xqq h SER 57 Cb 0.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1xqq h SER 57 CO -0.04 0.33 -0.10 0.44 -1.14 0.00 0.00 176.83 176.31 1xqq h ASP 58 N 0.50 0.54 0.60 3.07 3.32 -1.80 -3.28 116.42 119.37 1xqq h ASP 58 Ca 0.13 -0.40 -0.19 0.00 0.02 0.00 0.00 57.03 56.59 1xqq h ASP 58 Cb -0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xqq h ASP 58 CO -0.03 0.82 -0.87 1.88 -1.72 0.00 0.00 179.24 179.32 1xqq h TYR 59 N 0.27 0.27 -2.54 4.55 0.05 -1.51 -3.49 116.97 114.57 1xqq h TYR 59 Ca 0.06 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1xqq h TYR 59 Cb 0.60 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1xqq h TYR 59 CO 0.06 0.96 0.00 -1.71 -1.05 0.00 0.00 178.16 176.42 1xqq n ASN 60 N -3.65 -1.69 -4.53 3.88 5.15 -0.13 -5.07 115.26 109.21 1xqq n ASN 60 Ca -0.03 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 1xqq n ASN 60 Cb 0.80 -0.76 -0.11 0.00 -0.53 0.00 0.00 39.78 39.18 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 -2.85 5.06 0.78 -1.44 1.01 -0.87 -5.04 121.20 117.86 1xqq s ILE 61 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1xqq s ILE 61 Cb 0.00 -3.48 0.14 0.00 0.01 0.00 0.00 42.46 39.13 1xqq s ILE 61 CO 0.00 0.17 1.07 -1.10 0.00 0.00 0.00 174.94 175.08 1xqq s GLN 62 N 1.71 1.44 0.53 2.79 -0.21 -1.26 -4.85 119.66 119.80 1xqq s GLN 62 Ca 0.06 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.28 1xqq s GLN 62 Cb -0.16 -2.22 -0.06 0.00 1.00 0.00 0.00 33.01 31.56 1xqq s GLN 62 CO 0.09 -1.67 1.12 -1.59 -2.12 0.00 0.00 175.29 171.12 1xqq s LYS 63 N -5.31 3.46 -0.59 2.91 -2.85 -1.26 -4.20 119.74 111.89 1xqq s LYS 63 Ca 0.68 1.58 -0.00 0.00 -1.00 0.00 0.00 55.97 57.23 1xqq s LYS 63 Cb -0.05 -2.05 -0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1xqq s LYS 63 CO 0.46 -0.76 0.49 0.39 0.10 0.00 0.00 175.35 176.04 1xqq n GLU 64 N -1.19 -3.00 -4.78 1.78 1.02 0.11 -5.00 120.64 109.59 1xqq n GLU 64 Ca 0.11 0.43 -0.26 0.00 -0.02 0.00 0.00 57.16 57.41 1xqq n GLU 64 Cb 0.51 -4.11 -0.16 0.00 -0.02 0.00 0.00 31.44 27.66 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 -3.61 2.12 -0.43 1.62 0.15 -1.26 -4.92 113.70 107.36 1xqq s SER 65 Ca 0.03 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.20 1xqq s SER 65 Cb -0.00 -0.81 0.06 0.00 -1.71 0.00 0.00 66.02 63.56 1xqq s SER 65 CO 0.36 0.10 0.31 -0.89 1.20 0.00 0.00 173.24 174.33 1xqq s THR 66 N 0.35 4.78 0.48 6.45 2.01 -1.26 -0.36 115.64 128.10 1xqq s THR 66 Ca -0.11 -1.12 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 1xqq s THR 66 Cb -0.14 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 1xqq s THR 66 CO 0.04 -0.48 0.87 -0.76 -0.69 0.00 0.00 174.62 173.60 1xqq s LEU 67 N 1.55 3.66 0.23 4.42 1.43 -0.83 -4.73 118.68 124.42 1xqq s LEU 67 Ca 0.03 1.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1xqq s LEU 67 Cb -0.23 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1xqq s LEU 67 CO 0.05 -0.55 0.02 -1.00 0.23 0.00 0.00 176.35 175.11 1xqq s HIS 68 N -2.61 2.80 -0.26 0.29 3.76 -0.46 -1.74 115.29 117.07 1xqq s HIS 68 Ca 0.53 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1xqq s HIS 68 Cb -0.10 -1.29 0.07 0.00 1.11 0.00 0.00 32.58 32.37 1xqq s HIS 68 CO 0.36 0.57 -0.00 -1.17 -0.85 0.00 0.00 174.74 173.65 1xqq s LEU 69 N -3.39 2.68 0.43 0.89 0.20 -1.22 -1.99 118.68 116.28 1xqq s LEU 69 Ca 0.30 -1.36 0.06 0.00 0.69 0.00 0.00 54.13 53.82 1xqq s LEU 69 Cb -0.08 -1.13 -0.06 0.00 -0.43 0.00 0.00 46.19 44.49 1xqq s LEU 69 CO 0.20 -0.29 0.04 0.68 -0.29 0.00 0.00 176.35 176.69 1xqq s VAL 70 N 1.41 1.91 0.06 1.68 -7.23 -0.55 -4.37 120.40 113.30 1xqq s VAL 70 Ca -0.00 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1xqq s VAL 70 Cb -0.18 -2.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 1xqq s VAL 70 CO -0.10 0.00 0.30 -0.22 -0.31 0.00 0.00 175.10 174.77 1xqq s LEU 71 N -3.78 4.34 -0.28 1.32 0.20 -1.26 -1.23 118.68 117.99 1xqq s LEU 71 Ca 0.31 0.54 -0.13 0.00 0.69 0.00 0.00 54.13 55.54 1xqq s LEU 71 Cb 0.08 -2.93 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 1xqq s LEU 71 CO 0.16 0.17 0.30 -0.60 -0.29 0.00 0.00 176.35 176.09 1xqq s ARG 72 N -2.16 3.96 0.49 1.98 3.52 0.06 -4.74 118.95 122.06 1xqq s ARG 72 Ca 0.33 -0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1xqq s ARG 72 Cb -0.13 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1xqq s ARG 72 CO 0.21 -0.25 0.73 -0.51 -0.81 0.00 0.00 175.30 174.67 1xqq s LEU 73 N 1.94 3.53 0.15 -0.88 1.43 -1.26 -4.85 118.68 118.73 1xqq s LEU 73 Ca 0.11 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 1xqq s LEU 73 Cb -0.16 -3.26 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1xqq s LEU 73 CO 0.10 -0.81 1.13 -0.60 0.23 0.00 0.00 176.35 176.41 1xqq s ARG 74 N -4.67 4.54 0.00 1.70 6.06 -1.26 -4.60 118.95 120.72 1xqq s ARG 74 Ca 0.50 1.74 0.00 0.00 -2.50 0.00 0.00 55.73 55.47 1xqq s ARG 74 Cb -0.10 -3.29 0.00 0.00 0.06 0.00 0.00 34.95 31.62 1xqq s ARG 74 CO 0.40 -0.03 0.00 0.41 -2.50 0.00 0.00 175.30 173.58 1xqq n GLY 75 N 2.35 -0.02 0.00 8.12 0.00 -1.26 -5.35 105.19 109.03 1xqq n GLY 75 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93