#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 3.57 0.14 3.17 -0.21 -1.26 -2.22 119.66 122.85 1xqq s GLN 2 Ca 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 1xqq s GLN 2 Cb 0.00 -3.78 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 1xqq s GLN 2 CO 0.00 -0.40 0.33 0.96 -2.12 0.00 0.00 175.29 174.07 1xqq s ILE 3 N 1.73 5.25 0.08 1.08 -4.36 -1.24 -1.20 121.20 122.53 1xqq s ILE 3 Ca 0.06 -0.26 0.04 0.00 -0.26 0.00 0.00 60.65 60.23 1xqq s ILE 3 Cb -0.17 -3.67 -0.04 0.00 1.25 0.00 0.00 42.46 39.83 1xqq s ILE 3 CO 0.10 -0.02 0.02 -0.36 0.24 0.00 0.00 174.94 174.93 1xqq s PHE 4 N -1.70 3.06 -0.05 1.37 0.40 -0.52 -1.15 117.98 119.38 1xqq s PHE 4 Ca 0.38 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.77 1xqq s PHE 4 Cb -0.12 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1xqq s PHE 4 CO 0.27 0.49 -0.16 0.08 0.70 0.00 0.00 175.22 176.60 1xqq s VAL 5 N -1.31 1.38 -0.08 -0.44 1.01 -0.83 -0.68 120.40 119.46 1xqq s VAL 5 Ca 0.26 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1xqq s VAL 5 Cb -0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1xqq s VAL 5 CO 0.19 0.40 -0.03 -0.75 0.00 0.00 0.00 175.10 174.90 1xqq s LYS 6 N 0.18 2.91 0.00 2.72 2.20 -0.57 0.09 119.74 127.27 1xqq s LYS 6 Ca -0.07 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1xqq s LYS 6 Cb -0.13 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1xqq s LYS 6 CO 0.03 0.66 0.00 0.25 -0.36 0.00 0.00 175.35 175.93 1xqq n THR 7 N 2.25 0.00 0.36 3.43 -2.24 -0.95 0.33 114.28 117.47 1xqq n THR 7 Ca -0.18 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1xqq n THR 7 Cb 0.53 -1.60 -0.08 0.00 -2.10 0.00 0.00 70.33 67.09 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 -0.80 -1.04 3.22 5.85 -1.93 -3.25 115.31 117.37 1xqq h LEU 8 Ca 0.00 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1xqq h LEU 8 Cb 0.00 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1xqq h LEU 8 CO 0.00 -0.44 -0.48 0.71 -0.34 0.00 0.00 178.44 177.89 1xqq h THR 9 N -1.18 1.35 0.00 1.05 1.35 -1.96 -3.47 112.91 110.05 1xqq h THR 9 Ca -0.10 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1xqq h THR 9 Cb 0.74 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1xqq h THR 9 CO 0.16 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1xqq n GLY 10 N -0.15 0.72 3.62 5.82 0.00 -1.23 -5.10 105.19 108.88 1xqq n GLY 10 Ca -0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.01 3.98 -0.42 1.61 2.20 -1.26 -4.71 119.74 121.13 1xqq s LYS 11 Ca 0.00 0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 56.18 1xqq s LYS 11 Cb 0.00 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1xqq s LYS 11 CO 0.00 -0.86 0.94 0.99 -0.36 0.00 0.00 175.35 176.06 1xqq s THR 12 N 3.43 4.51 0.28 3.43 2.01 -1.26 -2.23 115.64 125.81 1xqq s THR 12 Ca 0.40 0.98 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1xqq s THR 12 Cb -0.13 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1xqq s THR 12 CO 0.15 -0.71 0.33 0.27 -0.69 0.00 0.00 174.62 173.98 1xqq s ILE 13 N 3.67 4.45 -0.36 1.82 -4.36 0.11 -4.94 121.20 121.59 1xqq s ILE 13 Ca 0.38 -1.17 0.03 0.00 -0.26 0.00 0.00 60.65 59.63 1xqq s ILE 13 Cb -0.11 -3.51 0.11 0.00 1.25 0.00 0.00 42.46 40.20 1xqq s ILE 13 CO 0.23 -0.26 0.10 -0.89 0.24 0.00 0.00 174.94 174.36 1xqq s THR 14 N -2.13 1.89 0.38 8.37 2.01 -1.26 -1.96 115.64 122.95 1xqq s THR 14 Ca 0.38 -2.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.14 1xqq s THR 14 Cb -0.08 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1xqq s THR 14 CO 0.28 -0.66 0.61 -0.76 -0.69 0.00 0.00 174.62 173.40 1xqq s LEU 15 N 0.92 3.90 -0.43 4.42 1.43 -0.30 -4.99 118.68 123.62 1xqq s LEU 15 Ca 0.12 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.67 1xqq s LEU 15 Cb -0.20 -3.43 0.09 0.00 0.03 0.00 0.00 46.19 42.68 1xqq s LEU 15 CO -0.11 -0.39 0.29 -0.70 0.23 0.00 0.00 176.35 175.67 1xqq s GLU 16 N -4.43 2.61 0.32 1.70 2.56 -1.26 -3.62 118.70 116.57 1xqq s GLU 16 Ca 0.42 -1.51 0.08 0.00 0.00 0.00 0.00 54.97 53.96 1xqq s GLU 16 Cb -0.10 -3.84 -0.06 0.00 2.00 0.00 0.00 34.13 32.13 1xqq s GLU 16 CO 0.38 -1.01 -0.07 0.14 -0.56 0.00 0.00 175.26 174.14 1xqq s VAL 17 N 1.43 1.95 0.38 3.70 -7.23 -0.94 -4.90 120.40 114.78 1xqq s VAL 17 Ca 0.04 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1xqq s VAL 17 Cb -0.24 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.07 1xqq s VAL 17 CO 0.02 -0.24 0.04 -1.83 -0.31 0.00 0.00 175.10 172.78 1xqq s GLU 18 N -3.67 1.83 0.00 4.82 -1.05 -1.26 -0.29 118.70 119.08 1xqq s GLU 18 Ca 0.31 -2.04 0.10 0.00 -0.15 0.00 0.00 54.97 53.19 1xqq s GLU 18 Cb 0.03 -1.23 0.43 0.00 -0.44 0.00 0.00 34.13 32.92 1xqq s GLU 18 CO 0.14 -0.15 1.30 -2.30 0.95 0.00 0.00 175.26 175.20 1xqq n PRO 19 N -0.86 0.02 0.17 -4.83 -0.02 -1.26 -1.95 135.00 126.27 1xqq n PRO 19 Ca -0.05 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 1xqq n PRO 19 Cb 0.67 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.73 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 -3.78 2.55 0.02 -1.97 -2.50 113.55 107.87 1xqq h SER 20 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1xqq h SER 20 Cb 0.16 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.84 1xqq h SER 20 CO 0.00 0.16 0.45 0.47 -1.14 0.00 0.00 176.83 176.76 1xqq n ASP 21 N -3.04 2.13 -4.84 3.07 8.00 -0.82 -4.80 116.55 116.25 1xqq n ASP 21 Ca 0.02 0.96 -0.22 0.00 0.71 0.00 0.00 54.79 56.26 1xqq n ASP 21 Cb 0.60 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.16 1xqq n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xqq s THR 22 N -1.32 4.55 0.26 -3.53 -4.23 -1.26 -1.05 115.64 109.06 1xqq s THR 22 Ca 0.70 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1xqq s THR 22 Cb -0.44 -3.46 0.25 0.00 1.34 0.00 0.00 72.50 70.19 1xqq s THR 22 CO 0.50 -0.35 1.86 0.40 -0.54 0.00 0.00 174.62 176.50 1xqq h ILE 23 N 1.46 1.03 -0.91 2.99 1.08 -1.50 0.37 117.51 122.02 1xqq h ILE 23 Ca -0.49 -0.36 0.20 0.00 -0.39 0.00 0.00 64.86 63.82 1xqq h ILE 23 Cb 1.24 -0.12 -0.11 0.00 -3.07 0.00 0.00 36.82 34.75 1xqq h ILE 23 CO 0.61 0.19 0.47 -0.08 -0.69 0.00 0.00 178.15 178.65 1xqq h GLU 24 N 1.06 0.52 0.00 2.37 4.81 -1.74 -2.12 114.58 119.49 1xqq h GLU 24 Ca 0.43 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1xqq h GLU 24 Cb 0.24 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1xqq h GLU 24 CO -0.20 0.34 -0.19 -0.97 -0.73 0.00 0.00 179.01 177.27 1xqq h ASN 25 N 0.54 0.00 0.00 1.04 -1.24 -1.29 -2.71 115.58 111.92 1xqq h ASN 25 Ca 0.55 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.56 1xqq h ASN 25 Cb 0.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 1xqq h ASN 25 CO -0.46 0.13 -0.01 0.58 -1.29 0.00 0.00 177.43 176.39 1xqq h VAL 26 N 0.00 0.99 -0.99 2.57 2.07 -0.78 -0.86 116.25 119.25 1xqq h VAL 26 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1xqq h VAL 26 Cb 1.10 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1xqq h VAL 26 CO 0.02 0.00 0.65 0.11 0.02 0.00 0.00 177.57 178.37 1xqq h LYS 27 N -0.01 1.27 0.00 1.57 1.57 -1.32 -0.65 116.57 119.00 1xqq h LYS 27 Ca 0.00 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1xqq h LYS 27 Cb 0.01 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 1xqq h LYS 27 CO -0.00 0.84 -0.52 0.00 -0.57 0.00 0.00 179.45 179.20 1xqq h ALA 28 N 1.40 1.04 -0.06 3.86 0.00 -1.19 0.11 119.26 124.42 1xqq h ALA 28 Ca 0.37 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1xqq h ALA 28 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xqq h ALA 28 CO -0.09 0.65 -0.43 0.87 0.00 0.00 0.00 179.25 180.25 1xqq h LYS 29 N 0.00 0.13 0.17 0.00 1.57 0.19 0.13 116.57 118.77 1xqq h LYS 29 Ca -0.01 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.41 1xqq h LYS 29 Cb 0.98 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.31 1xqq h LYS 29 CO 0.07 0.54 -1.33 0.82 -0.57 0.00 0.00 179.45 178.98 1xqq h ILE 30 N 0.11 1.38 -0.77 1.86 2.04 -0.65 -0.03 117.51 121.45 1xqq h ILE 30 Ca 0.01 -2.81 -0.02 0.00 1.00 0.00 0.00 64.86 63.03 1xqq h ILE 30 Cb 0.81 2.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.78 1xqq h ILE 30 CO 0.06 0.83 0.39 -0.61 0.00 0.00 0.00 178.15 178.82 1xqq h GLN 31 N 0.14 1.08 0.50 2.37 4.15 -0.69 -1.78 115.11 120.88 1xqq h GLN 31 Ca -0.19 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 1xqq h GLN 31 Cb 2.03 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1xqq h GLN 31 CO 0.24 0.82 -0.24 0.22 -1.93 0.00 0.00 178.83 177.94 1xqq h ASP 32 N 1.08 -0.56 0.50 -0.69 3.58 -0.70 -3.15 116.42 116.48 1xqq h ASP 32 Ca 0.27 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1xqq h ASP 32 Cb 0.08 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1xqq h ASP 32 CO -0.04 -0.31 -0.24 0.50 -2.88 0.00 0.00 179.24 176.28 1xqq h LYS 33 N -0.80 -0.65 0.00 0.28 3.64 -1.01 -3.42 116.57 114.61 1xqq h LYS 33 Ca -0.07 0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 1xqq h LYS 33 Cb 0.57 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1xqq h LYS 33 CO 0.11 -0.35 -1.71 -1.91 -2.27 0.00 0.00 179.45 173.32 1xqq n GLU 34 N -5.24 0.56 0.00 1.90 4.07 -0.73 -5.06 120.64 116.14 1xqq n GLU 34 Ca -0.10 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1xqq n GLU 34 Cb 0.31 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xqq n GLY 35 N 1.38 1.18 3.26 8.31 0.00 -0.83 -5.04 105.19 113.45 1xqq n GLY 35 Ca -0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 2.95 0.69 -0.61 1.01 -1.25 -4.99 121.20 117.00 1xqq s ILE 36 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1xqq s ILE 36 Cb 0.00 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1xqq s ILE 36 CO 0.00 0.47 1.08 -2.84 0.00 0.00 0.00 174.94 173.64 1xqq s PRO 37 N 1.33 2.82 0.21 2.79 0.02 -1.26 -3.28 135.00 137.62 1xqq s PRO 37 Ca 0.04 1.15 0.04 0.00 0.02 0.00 0.00 61.00 62.26 1xqq s PRO 37 Cb -0.14 -1.97 0.15 0.00 0.02 0.00 0.00 34.50 32.56 1xqq s PRO 37 CO -0.05 -1.21 1.49 -1.00 -0.33 0.00 0.00 177.00 175.90 1xqq h PRO 38 N -0.42 0.19 -0.82 5.54 0.13 -1.97 -3.20 132.00 131.45 1xqq h PRO 38 Ca -0.45 -0.16 0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1xqq h PRO 38 Cb 1.22 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1xqq h PRO 38 CO 0.55 0.83 0.54 -0.44 -0.23 0.00 0.00 178.00 179.25 1xqq h ASP 39 N 0.12 0.93 0.35 1.44 3.32 -1.97 -2.81 116.42 117.80 1xqq h ASP 39 Ca -0.02 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1xqq h ASP 39 Cb 1.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1xqq h ASP 39 CO 0.11 0.67 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.47 1xqq h GLN 40 N 1.10 0.00 -7.21 3.56 4.15 -1.95 -3.45 115.11 111.31 1xqq h GLN 40 Ca 0.31 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 59.23 1xqq h GLN 40 Cb -0.10 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.65 1xqq h GLN 40 CO -0.08 0.22 0.38 -0.65 -1.93 0.00 0.00 178.83 176.77 1xqq s GLN 41 N -4.29 3.34 -0.31 1.69 -0.21 -1.06 -3.13 119.66 115.69 1xqq s GLN 41 Ca -0.03 1.15 -0.01 0.00 0.02 0.00 0.00 55.36 56.49 1xqq s GLN 41 Cb 0.14 -2.04 0.13 0.00 1.00 0.00 0.00 33.01 32.24 1xqq s GLN 41 CO 0.66 -0.79 0.24 0.50 -2.12 0.00 0.00 175.29 173.78 1xqq s ARG 42 N -4.19 0.35 -0.12 2.91 6.06 -0.69 -4.96 118.95 118.30 1xqq s ARG 42 Ca 0.62 -0.56 -0.18 0.00 -2.50 0.00 0.00 55.73 53.12 1xqq s ARG 42 Cb -0.15 -0.94 -0.04 0.00 0.06 0.00 0.00 34.95 33.88 1xqq s ARG 42 CO 0.39 -1.08 0.49 -0.51 -2.50 0.00 0.00 175.30 172.08 1xqq s LEU 43 N 1.95 4.27 -0.11 -0.88 1.43 -1.26 -2.32 118.68 121.75 1xqq s LEU 43 Ca 0.12 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1xqq s LEU 43 Cb -0.16 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1xqq s LEU 43 CO -0.25 -0.02 -0.23 -0.63 0.23 0.00 0.00 176.35 175.45 1xqq s ILE 44 N 0.72 2.05 -0.19 -0.59 1.01 -0.54 -0.65 121.20 123.01 1xqq s ILE 44 Ca 0.26 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1xqq s ILE 44 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1xqq s ILE 44 CO 0.10 0.56 -0.16 0.12 0.00 0.00 0.00 174.94 175.56 1xqq s PHE 45 N 0.47 2.84 0.00 3.97 5.36 0.13 -1.50 117.98 129.25 1xqq s PHE 45 Ca -0.16 -1.51 0.00 0.00 -0.96 0.00 0.00 56.93 54.30 1xqq s PHE 45 Cb -0.17 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1xqq s PHE 45 CO 0.06 -0.75 0.00 0.00 -1.46 0.00 0.00 175.22 173.07 1xqq n ALA 46 N 4.66 0.00 -1.69 11.12 0.00 -1.26 -2.10 120.51 131.23 1xqq n ALA 46 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1xqq n ALA 46 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 2.32 3.04 0.00 0.00 -1.26 -5.00 105.19 104.29 1xqq n GLY 47 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.18 0.57 -0.05 1.61 2.20 -0.89 -5.13 119.74 116.86 1xqq s LYS 48 Ca 0.16 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 1xqq s LYS 48 Cb 0.15 -0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 35.95 1xqq s LYS 48 CO -0.01 0.11 0.31 -0.65 -0.36 0.00 0.00 175.35 174.75 1xqq s GLN 49 N -0.92 3.78 0.04 4.03 -0.21 -1.26 -0.70 119.66 124.41 1xqq s GLN 49 Ca -0.03 0.21 -0.22 0.00 0.02 0.00 0.00 55.36 55.34 1xqq s GLN 49 Cb -0.06 -3.22 -0.06 0.00 1.00 0.00 0.00 33.01 30.66 1xqq s GLN 49 CO 0.00 0.69 0.66 -0.51 -2.12 0.00 0.00 175.29 174.01 1xqq s LEU 50 N -0.96 4.46 0.09 2.90 1.43 0.18 -4.95 118.68 121.82 1xqq s LEU 50 Ca 0.20 1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 54.55 1xqq s LEU 50 Cb -0.15 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1xqq s LEU 50 CO 0.10 0.12 0.34 -1.61 0.23 0.00 0.00 176.35 175.52 1xqq s GLU 51 N -0.39 3.61 0.17 1.70 2.02 -1.26 -4.81 118.70 119.74 1xqq s GLU 51 Ca 0.33 -0.09 -0.13 0.00 0.02 0.00 0.00 54.97 55.11 1xqq s GLU 51 Cb -0.20 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.15 1xqq s GLU 51 CO 0.20 0.54 1.76 -0.44 0.02 0.00 0.00 175.26 177.34 1xqq h ASP 52 N 3.26 0.73 0.73 -0.19 3.32 -1.97 -3.10 116.42 119.21 1xqq h ASP 52 Ca -0.47 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 1xqq h ASP 52 Cb 1.18 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1xqq h ASP 52 CO 0.70 0.65 -0.15 1.23 -1.72 0.00 0.00 179.24 179.96 1xqq h GLY 53 N 0.76 0.00 -2.56 2.75 0.00 -1.97 -2.52 103.07 99.54 1xqq h GLY 53 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.04 1xqq h GLY 53 CO -0.03 0.00 0.17 0.50 0.00 0.00 0.00 176.54 177.18 1xqq s ARG 54 N -3.84 3.99 0.82 4.80 1.81 -1.17 -4.83 118.95 120.53 1xqq s ARG 54 Ca -0.01 0.73 -0.12 0.00 -1.72 0.00 0.00 55.73 54.62 1xqq s ARG 54 Cb 0.11 -2.35 0.10 0.00 -0.45 0.00 0.00 34.95 32.36 1xqq s ARG 54 CO 0.60 0.05 1.18 0.95 -0.68 0.00 0.00 175.30 177.40 1xqq s THR 55 N -2.15 2.05 0.22 0.02 -4.23 -1.26 -2.31 115.64 107.97 1xqq s THR 55 Ca 0.55 -0.06 0.24 0.00 -1.18 0.00 0.00 61.69 61.24 1xqq s THR 55 Cb -0.10 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1xqq s THR 55 CO 0.21 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 176.09 1xqq h LEU 56 N -1.10 0.00 -0.67 4.79 3.38 -1.19 -3.18 115.31 117.33 1xqq h LEU 56 Ca -0.45 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1xqq h LEU 56 Cb 1.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1xqq h LEU 56 CO 0.58 0.23 0.38 -1.28 0.09 0.00 0.00 178.44 178.44 1xqq h SER 57 N 0.00 0.56 0.45 -0.43 0.87 -1.69 -0.94 113.55 112.37 1xqq h SER 57 Ca -0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1xqq h SER 57 Cb 0.67 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1xqq h SER 57 CO 0.03 0.37 -0.32 -0.78 -0.53 0.00 0.00 176.83 175.59 1xqq h ASP 58 N 0.70 -0.83 1.42 6.23 1.82 -1.85 -3.03 116.42 120.87 1xqq h ASP 58 Ca 0.30 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1xqq h ASP 58 Cb 0.18 0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1xqq h ASP 58 CO -0.18 -0.49 -0.12 1.88 -1.61 0.00 0.00 179.24 178.73 1xqq h TYR 59 N -0.76 0.00 -5.22 0.28 0.05 -1.62 -3.48 116.97 106.23 1xqq h TYR 59 Ca -0.05 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.48 1xqq h TYR 59 Cb 0.64 0.00 0.17 0.00 1.01 0.00 0.00 36.73 38.55 1xqq h TYR 59 CO -0.13 0.12 -0.73 0.09 -1.05 0.00 0.00 178.16 176.45 1xqq n ASN 60 N -3.18 -4.25 -4.56 3.88 3.02 -0.76 -5.02 115.26 104.39 1xqq n ASN 60 Ca 0.02 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 1xqq n ASN 60 Cb 0.47 -4.68 -0.05 0.00 -0.61 0.00 0.00 39.78 34.91 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 -3.34 4.72 0.00 2.41 1.01 -0.43 -5.04 121.20 120.53 1xqq s ILE 61 Ca 0.22 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1xqq s ILE 61 Cb -0.03 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1xqq s ILE 61 CO 0.66 -0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.05 1xqq n GLN 62 N 6.50 3.54 -1.76 2.79 6.02 -1.26 -4.58 117.38 128.62 1xqq n GLN 62 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1xqq n GLN 62 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 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 2.27 4.15 0.00 -1.09 -2.85 -1.26 -2.61 119.74 118.35 1xqq s LYS 63 Ca 0.00 2.53 0.00 0.00 -1.00 0.00 0.00 55.97 57.50 1xqq s LYS 63 Cb 0.00 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.15 1xqq s LYS 63 CO 0.00 -0.82 0.00 0.39 0.10 0.00 0.00 175.35 175.02 1xqq n GLU 64 N 5.74 -0.06 -2.44 1.78 1.02 -0.34 -5.03 120.64 121.32 1xqq n GLU 64 Ca 0.17 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.90 1xqq n GLU 64 Cb 0.39 -2.84 -0.02 0.00 -0.02 0.00 0.00 31.44 28.95 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 -2.64 6.99 -0.29 1.62 0.15 -1.07 -4.76 113.70 113.70 1xqq s SER 65 Ca 0.00 1.76 -0.10 0.00 0.70 0.00 0.00 55.95 58.31 1xqq s SER 65 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1xqq s SER 65 CO 0.00 -0.68 0.17 -0.89 1.20 0.00 0.00 173.24 173.04 1xqq s THR 66 N 2.87 4.94 0.45 6.45 2.01 -1.26 -1.44 115.64 129.67 1xqq s THR 66 Ca 0.55 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.39 1xqq s THR 66 Cb -0.23 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1xqq s THR 66 CO 0.18 0.17 0.75 -0.76 -0.69 0.00 0.00 174.62 174.27 1xqq s LEU 67 N 1.69 3.70 -0.09 4.42 1.43 0.15 -4.84 118.68 125.14 1xqq s LEU 67 Ca 0.06 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1xqq s LEU 67 Cb -0.16 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1xqq s LEU 67 CO 0.08 -0.52 -0.06 -1.00 0.23 0.00 0.00 176.35 175.08 1xqq s HIS 68 N -2.64 2.95 -0.08 0.29 3.76 -0.56 -1.51 115.29 117.50 1xqq s HIS 68 Ca 0.47 -0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1xqq s HIS 68 Cb -0.10 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1xqq s HIS 68 CO 0.42 0.21 0.03 -1.17 -0.85 0.00 0.00 174.74 173.38 1xqq s LEU 69 N -0.45 3.72 -0.04 0.89 2.96 0.15 -1.47 118.68 124.44 1xqq s LEU 69 Ca 0.07 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1xqq s LEU 69 Cb -0.12 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1xqq s LEU 69 CO 0.02 0.37 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.58 1xqq s VAL 70 N -0.93 2.99 -0.10 1.68 1.01 -0.98 -3.85 120.40 120.21 1xqq s VAL 70 Ca 0.14 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1xqq s VAL 70 Cb -0.11 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1xqq s VAL 70 CO 0.03 0.58 -0.21 -0.76 0.00 0.00 0.00 175.10 174.75 1xqq s LEU 71 N -0.75 2.27 0.79 3.92 1.43 -1.26 -1.71 118.68 123.37 1xqq s LEU 71 Ca 0.11 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1xqq s LEU 71 Cb -0.11 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.74 1xqq s LEU 71 CO 0.01 0.19 1.14 0.00 0.23 0.00 0.00 176.35 177.92 1xqq s ARG 72 N 0.19 1.95 -0.14 1.70 1.70 -1.18 -5.05 118.95 118.13 1xqq s ARG 72 Ca -0.13 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.13 1xqq s ARG 72 Cb -0.16 -2.00 -0.09 0.00 -0.57 0.00 0.00 34.95 32.13 1xqq s ARG 72 CO 0.07 -1.55 -0.13 -0.11 -1.08 0.00 0.00 175.30 172.50 1xqq n LEU 73 N -3.24 2.88 0.00 -1.89 7.94 -1.26 -5.02 117.00 116.41 1xqq n LEU 73 Ca 0.08 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1xqq n LEU 73 Cb 0.61 -0.48 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1xqq n LEU 73 CO 0.55 0.71 0.00 -1.14 -1.11 0.00 0.00 177.39 176.40 1xqq n ARG 74 N -2.95 0.00 -3.59 1.96 0.63 -1.26 -5.14 116.66 106.31 1xqq n ARG 74 Ca -0.25 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.32 1xqq n ARG 74 Cb 0.76 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.61 1xqq n ARG 74 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xqq s GLY 75 N 0.00 2.37 0.00 5.14 0.00 -1.26 -5.12 107.32 108.45 1xqq s GLY 75 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1xqq s GLY 75 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.63