#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 3.81 0.34 3.17 -0.21 -1.26 -1.38 119.66 124.12 1xqq s GLN 2 Ca 0.00 0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.51 1xqq s GLN 2 Cb 0.00 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.70 1xqq s GLN 2 CO 0.00 0.62 0.08 0.96 -2.12 0.00 0.00 175.29 174.83 1xqq s ILE 3 N -0.67 0.96 -0.19 1.08 -4.36 -0.10 -1.93 121.20 115.98 1xqq s ILE 3 Ca 0.18 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1xqq s ILE 3 Cb -0.14 -2.66 0.04 0.00 1.25 0.00 0.00 42.46 40.95 1xqq s ILE 3 CO 0.07 0.00 -0.12 -0.36 0.24 0.00 0.00 174.94 174.77 1xqq s PHE 4 N -3.33 2.46 -0.32 1.37 0.08 -0.48 -1.44 117.98 116.32 1xqq s PHE 4 Ca 0.33 -1.58 -0.10 0.00 0.12 0.00 0.00 56.93 55.70 1xqq s PHE 4 Cb 0.07 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1xqq s PHE 4 CO 0.15 -0.75 0.17 0.08 -0.10 0.00 0.00 175.22 174.77 1xqq s VAL 5 N 1.38 4.70 -0.04 -0.44 1.01 -1.00 -0.29 120.40 125.71 1xqq s VAL 5 Ca -0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1xqq s VAL 5 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1xqq s VAL 5 CO -0.09 0.04 0.69 -0.75 0.00 0.00 0.00 175.10 175.00 1xqq s LYS 6 N 1.63 4.43 0.53 2.72 2.20 0.61 -1.97 119.74 129.89 1xqq s LYS 6 Ca 0.05 0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 56.49 1xqq s LYS 6 Cb -0.17 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1xqq s LYS 6 CO 0.07 0.13 0.83 0.95 -0.36 0.00 0.00 175.35 176.97 1xqq s THR 7 N 0.56 4.30 0.31 3.43 -4.23 -0.10 -0.98 115.64 118.92 1xqq s THR 7 Ca 0.37 0.07 0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1xqq s THR 7 Cb -0.18 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.11 1xqq s THR 7 CO 0.19 -0.65 1.80 0.25 -0.54 0.00 0.00 174.62 175.66 1xqq h LEU 8 N 0.06 0.00 -0.28 4.79 5.85 -1.85 -2.82 115.31 121.05 1xqq h LEU 8 Ca -0.46 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1xqq h LEU 8 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1xqq h LEU 8 CO 0.61 0.38 0.15 0.74 -0.34 0.00 0.00 178.44 179.99 1xqq h THR 9 N 0.00 1.02 0.00 1.05 2.02 -1.94 -3.47 112.91 111.58 1xqq h THR 9 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1xqq h THR 9 Cb 0.75 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1xqq h THR 9 CO 0.05 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.61 1xqq n GLY 10 N -1.18 0.38 2.96 2.16 0.00 -1.06 -5.15 105.19 103.29 1xqq n GLY 10 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 0.27 -0.33 1.61 1.02 -1.26 -4.97 119.74 116.08 1xqq s LYS 11 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.48 1xqq s LYS 11 Cb 0.00 -0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 1xqq s LYS 11 CO 0.00 0.01 0.24 0.99 -0.92 0.00 0.00 175.35 175.67 1xqq s THR 12 N -0.78 5.28 -0.14 2.17 2.01 -1.26 -0.92 115.64 121.99 1xqq s THR 12 Ca -0.07 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 1xqq s THR 12 Cb -0.06 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1xqq s THR 12 CO -0.00 0.02 0.01 0.27 -0.69 0.00 0.00 174.62 174.23 1xqq s ILE 13 N 1.74 4.38 -0.30 1.82 -4.36 -0.83 -5.00 121.20 118.65 1xqq s ILE 13 Ca 0.07 -0.19 -0.17 0.00 -0.26 0.00 0.00 60.65 60.09 1xqq s ILE 13 Cb -0.17 -2.92 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 1xqq s ILE 13 CO 0.11 0.52 0.48 -0.89 0.24 0.00 0.00 174.94 175.39 1xqq s THR 14 N -0.06 5.07 0.00 8.37 2.01 -1.26 -2.38 115.64 127.40 1xqq s THR 14 Ca 0.04 0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1xqq s THR 14 Cb -0.13 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1xqq s THR 14 CO 0.02 -0.03 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.92 1xqq s LEU 15 N 2.28 2.20 -0.36 4.42 1.43 -0.52 -4.98 118.68 123.14 1xqq s LEU 15 Ca 0.18 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1xqq s LEU 15 Cb -0.16 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1xqq s LEU 15 CO 0.11 0.30 0.19 -0.70 0.23 0.00 0.00 176.35 176.48 1xqq s GLU 16 N -0.88 2.95 0.29 1.70 2.12 -1.26 -0.93 118.70 122.68 1xqq s GLU 16 Ca 0.11 -0.99 0.03 0.00 0.36 0.00 0.00 54.97 54.48 1xqq s GLU 16 Cb -0.10 -3.69 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 1xqq s GLU 16 CO 0.01 -0.63 0.06 0.14 -0.54 0.00 0.00 175.26 174.29 1xqq s VAL 17 N 1.57 0.98 0.30 3.70 -7.23 -0.48 -4.97 120.40 114.26 1xqq s VAL 17 Ca 0.03 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 1xqq s VAL 17 Cb -0.19 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1xqq s VAL 17 CO 0.07 -0.06 0.56 -0.70 -0.31 0.00 0.00 175.10 174.66 1xqq s GLU 18 N -3.93 3.63 0.00 4.82 2.56 -1.26 0.13 118.70 124.65 1xqq s GLU 18 Ca 0.35 0.01 0.31 0.00 0.00 0.00 0.00 54.97 55.64 1xqq s GLU 18 Cb 0.08 -2.64 1.65 0.00 2.00 0.00 0.00 34.13 35.22 1xqq s GLU 18 CO 0.14 0.20 2.11 -0.35 -0.56 0.00 0.00 175.26 176.80 1xqq n PRO 19 N -0.98 0.61 0.21 4.30 -0.04 -1.26 -2.55 135.00 135.28 1xqq n PRO 19 Ca -0.02 -0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1xqq n PRO 19 Cb 0.54 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.79 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xqq h SER 20 N 0.00 0.00 -4.12 3.54 0.02 -1.95 0.15 113.55 111.19 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.19 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.83 1xqq h SER 20 CO 0.00 0.18 0.43 -1.81 -1.14 0.00 0.00 176.83 174.49 1xqq s ASP 21 N -6.18 5.32 0.08 3.07 1.01 -1.06 -4.72 116.67 114.20 1xqq s ASP 21 Ca 0.04 2.23 0.01 0.00 0.71 0.00 0.00 52.55 55.53 1xqq s ASP 21 Cb 0.08 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1xqq s ASP 21 CO 0.66 -1.49 0.08 0.35 0.21 0.00 0.00 175.17 174.97 1xqq n THR 22 N -1.71 0.00 0.36 -1.27 -2.24 -1.26 -1.61 114.28 106.55 1xqq n THR 22 Ca 0.12 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1xqq n THR 22 Cb 0.51 -0.98 0.13 0.00 -2.10 0.00 0.00 70.33 67.89 1xqq n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xqq h ILE 23 N -0.02 0.00 0.00 2.28 1.08 -1.40 -2.86 117.51 116.59 1xqq h ILE 23 Ca -0.03 -0.74 -0.11 0.00 -0.39 0.00 0.00 64.86 63.59 1xqq h ILE 23 Cb 0.12 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 1xqq h ILE 23 CO 0.04 0.00 -0.54 -0.08 -0.69 0.00 0.00 178.15 176.87 1xqq h GLU 24 N 0.00 0.00 -0.07 2.37 4.81 -1.55 -2.40 114.58 117.75 1xqq h GLU 24 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1xqq h GLU 24 Cb 0.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1xqq h GLU 24 CO 0.00 0.54 -0.69 -0.97 -0.73 0.00 0.00 179.01 177.17 1xqq h ASN 25 N 0.00 0.37 -0.17 1.04 -0.73 -1.80 -1.25 115.58 113.05 1xqq h ASN 25 Ca -0.01 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 57.90 1xqq h ASN 25 Cb 1.25 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 1xqq h ASN 25 CO 0.07 0.95 0.02 0.58 -0.37 0.00 0.00 177.43 178.68 1xqq h VAL 26 N 0.22 1.23 -0.76 2.57 2.07 -1.50 -0.94 116.25 119.14 1xqq h VAL 26 Ca -0.02 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1xqq h VAL 26 Cb 1.24 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1xqq h VAL 26 CO 0.11 0.23 0.42 0.11 0.02 0.00 0.00 177.57 178.46 1xqq h LYS 27 N 0.06 0.70 -0.89 1.57 1.57 -1.42 -0.70 116.57 117.46 1xqq h LYS 27 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xqq h LYS 27 Cb 0.33 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1xqq h LYS 27 CO 0.01 0.46 0.51 0.00 -0.57 0.00 0.00 179.45 179.86 1xqq h ALA 28 N 1.43 1.23 -0.32 3.86 0.00 -1.02 -1.63 119.26 122.81 1xqq h ALA 28 Ca 0.36 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1xqq h ALA 28 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xqq h ALA 28 CO -0.24 0.64 -0.45 0.87 0.00 0.00 0.00 179.25 180.07 1xqq h LYS 29 N 1.23 0.82 -0.32 0.00 1.57 -0.26 -1.46 116.57 118.16 1xqq h LYS 29 Ca 0.32 -0.46 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1xqq h LYS 29 Cb -0.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xqq h LYS 29 CO -0.06 1.10 -0.18 0.82 -0.57 0.00 0.00 179.45 180.56 1xqq h ILE 30 N 0.66 1.25 -0.67 1.86 2.04 -1.17 -0.57 117.51 120.92 1xqq h ILE 30 Ca 0.04 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1xqq h ILE 30 Cb 1.03 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1xqq h ILE 30 CO 0.10 0.39 0.13 -0.61 0.00 0.00 0.00 178.15 178.16 1xqq h GLN 31 N 0.53 1.08 0.36 2.37 4.15 -1.15 -1.26 115.11 121.18 1xqq h GLN 31 Ca 0.09 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1xqq h GLN 31 Cb 0.61 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1xqq h GLN 31 CO 0.04 0.97 -0.17 0.22 -1.93 0.00 0.00 178.83 177.96 1xqq h ASP 32 N 1.01 -0.41 -0.03 -0.69 3.58 -0.68 -2.06 116.42 117.15 1xqq h ASP 32 Ca 0.21 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1xqq h ASP 32 Cb 0.40 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1xqq h ASP 32 CO 0.01 0.02 0.01 0.50 -2.88 0.00 0.00 179.24 176.90 1xqq h LYS 33 N -1.11 0.04 0.00 0.28 3.64 -1.23 -3.37 116.57 114.82 1xqq h LYS 33 Ca -0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xqq h LYS 33 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xqq h LYS 33 CO 0.08 0.11 -1.39 0.39 -2.27 0.00 0.00 179.45 176.38 1xqq n GLU 34 N -5.03 0.83 -1.13 1.90 -0.58 -0.59 -5.02 120.64 111.03 1xqq n GLU 34 Ca -0.07 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1xqq n GLU 34 Cb 0.07 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.72 0.84 3.76 0.62 0.00 -0.58 -4.98 105.19 106.56 1xqq n GLY 35 Ca -0.01 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 5.09 0.62 -0.61 1.01 -1.23 -4.94 121.20 119.13 1xqq s ILE 36 Ca 0.00 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 61.47 1xqq s ILE 36 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1xqq s ILE 36 CO 0.00 0.41 1.10 -2.84 0.00 0.00 0.00 174.94 173.62 1xqq s PRO 37 N 0.02 3.01 0.24 2.79 0.02 -1.26 -4.10 135.00 135.72 1xqq s PRO 37 Ca 0.26 1.41 0.11 0.00 0.02 0.00 0.00 61.00 62.80 1xqq s PRO 37 Cb -0.16 -1.98 0.21 0.00 0.02 0.00 0.00 34.50 32.59 1xqq s PRO 37 CO 0.12 -1.09 1.51 -1.35 -0.33 0.00 0.00 177.00 175.87 1xqq h PRO 38 N 0.35 0.00 0.00 5.54 0.11 -1.95 -3.15 132.00 132.90 1xqq h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 38 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xqq h PRO 38 CO 0.55 0.69 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1xqq n ASP 39 N -3.58 0.76 -0.57 -2.05 5.75 -1.26 -3.06 116.55 112.53 1xqq n ASP 39 Ca -0.00 0.61 0.06 0.00 -0.01 0.00 0.00 54.79 55.45 1xqq n ASP 39 Cb 0.71 -0.80 0.09 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.25 1.42 -3.14 0.11 10.64 -1.19 -4.80 117.38 118.16 1xqq n GLN 40 Ca 0.04 -1.53 -0.39 0.00 -1.83 0.00 0.00 57.00 53.29 1xqq n GLN 40 Cb 0.35 -1.26 -0.05 0.00 -0.86 0.00 0.00 30.24 28.42 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1xqq s GLN 41 N -1.03 4.37 -0.09 2.61 -0.21 -1.17 0.42 119.66 124.56 1xqq s GLN 41 Ca 0.18 0.84 0.01 0.00 0.02 0.00 0.00 55.36 56.41 1xqq s GLN 41 Cb 0.11 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.80 1xqq s GLN 41 CO 0.16 0.35 -0.09 0.50 -2.12 0.00 0.00 175.29 174.09 1xqq s ARG 42 N -0.17 1.55 -0.06 2.91 3.52 -0.95 -4.71 118.95 121.04 1xqq s ARG 42 Ca 0.33 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1xqq s ARG 42 Cb -0.19 -1.45 0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1xqq s ARG 42 CO 0.19 -0.12 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.89 1xqq s LEU 43 N 1.17 1.85 -0.07 -0.88 1.43 -1.26 -2.00 118.68 118.92 1xqq s LEU 43 Ca -0.05 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1xqq s LEU 43 Cb -0.14 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1xqq s LEU 43 CO -0.02 0.12 -0.24 -0.63 0.23 0.00 0.00 176.35 175.81 1xqq s ILE 44 N 0.28 2.17 -0.10 -0.59 -1.09 0.38 -2.26 121.20 120.00 1xqq s ILE 44 Ca -0.09 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 1xqq s ILE 44 Cb -0.14 -1.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.96 1xqq s ILE 44 CO 0.04 0.57 -0.10 0.12 -1.23 0.00 0.00 174.94 174.33 1xqq s PHE 45 N -0.12 1.53 0.00 3.97 5.36 -0.51 -1.61 117.98 126.61 1xqq s PHE 45 Ca -0.05 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 1xqq s PHE 45 Cb -0.14 -1.20 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 1xqq s PHE 45 CO 0.04 -0.43 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 1xqq n ALA 46 N 4.47 0.00 -1.27 11.12 0.00 -1.26 -0.88 120.51 132.69 1xqq n ALA 46 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.51 0.00 0.05 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 2.00 3.77 0.00 0.00 -1.26 -5.07 105.19 104.63 1xqq n GLY 47 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.20 3.16 -0.15 1.61 1.02 -0.05 -5.08 119.74 119.05 1xqq s LYS 48 Ca 0.12 -0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1xqq s LYS 48 Cb 0.10 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1xqq s LYS 48 CO 0.01 0.72 0.88 -0.65 -0.92 0.00 0.00 175.35 175.39 1xqq s GLN 49 N -1.12 4.34 -0.41 1.68 -0.21 -1.26 -1.42 119.66 121.25 1xqq s GLN 49 Ca 0.16 1.12 -0.19 0.00 0.02 0.00 0.00 55.36 56.47 1xqq s GLN 49 Cb -0.12 -3.56 0.02 0.00 1.00 0.00 0.00 33.01 30.35 1xqq s GLN 49 CO 0.05 -0.32 0.57 -0.51 -2.12 0.00 0.00 175.29 172.97 1xqq s LEU 50 N 2.09 4.52 0.36 2.90 2.01 -0.96 -5.01 118.68 124.59 1xqq s LEU 50 Ca 0.41 -0.30 -0.28 0.00 0.01 0.00 0.00 54.13 53.97 1xqq s LEU 50 Cb -0.17 -2.63 -0.11 0.00 0.01 0.00 0.00 46.19 43.30 1xqq s LEU 50 CO 0.14 -0.65 1.42 -0.70 1.01 0.00 0.00 176.35 177.56 1xqq s GLU 51 N 2.57 4.18 0.18 1.70 2.12 -1.26 -4.87 118.70 123.31 1xqq s GLU 51 Ca 0.20 2.43 -0.17 0.00 0.36 0.00 0.00 54.97 57.79 1xqq s GLU 51 Cb -0.15 -2.99 0.14 0.00 0.26 0.00 0.00 34.13 31.39 1xqq s GLU 51 CO 0.16 -0.42 1.63 -0.44 -0.54 0.00 0.00 175.26 175.65 1xqq h ASP 52 N 3.10 -0.66 -0.44 -1.70 3.32 -1.96 -2.76 116.42 115.32 1xqq h ASP 52 Ca -0.50 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1xqq h ASP 52 Cb 1.24 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.16 1xqq h ASP 52 CO 0.64 -0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1xqq n GLY 53 N -1.39 2.42 3.90 2.75 0.00 -1.26 -1.34 105.19 110.27 1xqq n GLY 53 Ca 0.04 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.13 3.55 0.47 1.61 0.52 -1.04 -4.87 118.95 117.05 1xqq s ARG 54 Ca 0.39 -0.19 -0.20 0.00 -0.52 0.00 0.00 55.73 55.21 1xqq s ARG 54 Cb 0.28 -2.99 -0.09 0.00 0.52 0.00 0.00 34.95 32.67 1xqq s ARG 54 CO 0.13 0.58 0.98 0.95 0.02 0.00 0.00 175.30 177.96 1xqq s THR 55 N -1.48 4.25 0.39 0.02 -4.23 -1.26 -3.27 115.64 110.06 1xqq s THR 55 Ca 0.34 1.32 0.12 0.00 -1.18 0.00 0.00 61.69 62.29 1xqq s THR 55 Cb -0.13 -3.58 0.13 0.00 1.34 0.00 0.00 72.50 70.27 1xqq s THR 55 CO 0.22 -0.39 1.89 -0.07 -0.54 0.00 0.00 174.62 175.74 1xqq h LEU 56 N 1.55 0.09 -0.58 4.79 3.38 -0.84 -2.67 115.31 121.02 1xqq h LEU 56 Ca -0.49 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1xqq h LEU 56 Cb 1.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1xqq h LEU 56 CO 0.60 0.35 0.37 0.77 0.09 0.00 0.00 178.44 180.62 1xqq h SER 57 N 0.08 0.63 -0.91 -0.43 4.64 -0.99 0.30 113.55 116.88 1xqq h SER 57 Ca 0.01 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1xqq h SER 57 Cb 0.50 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1xqq h SER 57 CO 0.04 0.45 0.60 -0.78 -0.87 0.00 0.00 176.83 176.26 1xqq h ASP 58 N 0.75 1.03 1.63 4.97 3.58 -1.75 -1.94 116.42 124.69 1xqq h ASP 58 Ca 0.22 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 1xqq h ASP 58 Cb -0.04 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.75 1xqq h ASP 58 CO -0.07 0.74 -0.11 1.88 -2.88 0.00 0.00 179.24 178.80 1xqq h TYR 59 N 1.22 0.00 -5.83 0.28 0.05 -1.38 -3.48 116.97 107.82 1xqq h TYR 59 Ca 0.34 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.76 1xqq h TYR 59 Cb -0.11 0.00 0.13 0.00 1.01 0.00 0.00 36.73 37.75 1xqq h TYR 59 CO -0.01 0.11 -0.83 -1.71 -1.05 0.00 0.00 178.16 174.67 1xqq n ASN 60 N -3.15 -3.03 -4.67 3.88 5.15 0.98 -5.02 115.26 109.40 1xqq n ASN 60 Ca 0.03 -0.75 -0.42 0.00 -0.60 0.00 0.00 54.58 52.83 1xqq n ASN 60 Cb 0.51 -4.57 -0.03 0.00 -0.53 0.00 0.00 39.78 35.17 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 -3.49 3.24 0.44 -1.44 -1.09 -0.69 -5.00 121.20 113.17 1xqq s ILE 61 Ca 0.15 0.45 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 1xqq s ILE 61 Cb -0.03 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 1xqq s ILE 61 CO 0.78 -0.03 0.62 -1.10 -1.23 0.00 0.00 174.94 173.98 1xqq s GLN 62 N 3.65 2.88 0.42 2.79 -0.21 -1.26 -4.78 119.66 123.14 1xqq s GLN 62 Ca 0.77 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 55.03 1xqq s GLN 62 Cb -0.38 -2.66 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 1xqq s GLN 62 CO 0.34 -0.30 1.12 -1.59 -2.12 0.00 0.00 175.29 172.73 1xqq s LYS 63 N -4.46 4.02 -1.87 2.91 -2.85 -1.26 -3.43 119.74 112.79 1xqq s LYS 63 Ca 0.52 1.68 0.00 0.00 -1.00 0.00 0.00 55.97 57.17 1xqq s LYS 63 Cb -0.10 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 1xqq s LYS 63 CO 0.35 -0.31 0.00 0.39 0.10 0.00 0.00 175.35 175.88 1xqq n GLU 64 N -0.14 -1.23 -3.19 1.78 1.02 -0.81 -5.01 120.64 113.05 1xqq n GLU 64 Ca 0.05 1.12 -0.37 0.00 -0.02 0.00 0.00 57.16 57.95 1xqq n GLU 64 Cb 0.48 -5.37 -0.06 0.00 -0.02 0.00 0.00 31.44 26.47 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 -2.81 7.03 -0.31 1.62 0.15 -1.22 -4.85 113.70 113.31 1xqq s SER 65 Ca 0.00 1.32 -0.19 0.00 0.70 0.00 0.00 55.95 57.78 1xqq s SER 65 Cb 0.00 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1xqq s SER 65 CO 0.00 0.12 0.56 -0.89 1.20 0.00 0.00 173.24 174.23 1xqq s THR 66 N -1.39 4.99 0.06 6.45 2.01 -1.25 -1.39 115.64 125.12 1xqq s THR 66 Ca 0.38 0.66 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 1xqq s THR 66 Cb -0.17 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1xqq s THR 66 CO 0.21 -0.12 0.40 -0.76 -0.69 0.00 0.00 174.62 173.66 1xqq s LEU 67 N 2.47 4.39 -0.07 4.42 1.02 0.60 -4.87 118.68 126.64 1xqq s LEU 67 Ca 0.22 0.85 -0.15 0.00 0.02 0.00 0.00 54.13 55.06 1xqq s LEU 67 Cb -0.15 -2.86 -0.05 0.00 0.02 0.00 0.00 46.19 43.15 1xqq s LEU 67 CO 0.12 0.22 0.40 -1.00 0.02 0.00 0.00 176.35 176.11 1xqq s HIS 68 N -1.30 3.60 -0.15 0.29 3.76 -0.63 -0.28 115.29 120.58 1xqq s HIS 68 Ca 0.30 0.87 -0.05 0.00 -0.15 0.00 0.00 55.06 56.04 1xqq s HIS 68 Cb -0.15 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 1xqq s HIS 68 CO 0.16 0.41 0.01 -1.17 -0.85 0.00 0.00 174.74 173.31 1xqq s LEU 69 N -0.23 3.58 0.46 0.89 0.20 -0.16 -0.47 118.68 122.95 1xqq s LEU 69 Ca 0.23 0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.12 1xqq s LEU 69 Cb -0.15 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1xqq s LEU 69 CO 0.10 0.23 0.01 0.68 -0.29 0.00 0.00 176.35 177.08 1xqq s VAL 70 N 0.04 1.56 -0.10 1.68 -7.23 -0.85 -2.77 120.40 112.73 1xqq s VAL 70 Ca 0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1xqq s VAL 70 Cb -0.13 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1xqq s VAL 70 CO 0.02 0.00 0.07 -0.76 -0.31 0.00 0.00 175.10 174.12 1xqq s LEU 71 N -3.78 3.98 -0.17 1.32 1.43 -1.26 -2.25 118.68 117.93 1xqq s LEU 71 Ca 0.21 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 1xqq s LEU 71 Cb 0.06 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1xqq s LEU 71 CO 0.11 0.39 0.33 -0.60 0.23 0.00 0.00 176.35 176.81 1xqq s ARG 72 N -0.98 4.23 0.17 1.70 3.52 0.17 -4.84 118.95 122.92 1xqq s ARG 72 Ca 0.14 0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1xqq s ARG 72 Cb -0.12 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1xqq s ARG 72 CO 0.04 0.14 0.38 -0.51 -0.81 0.00 0.00 175.30 174.53 1xqq s LEU 73 N 0.76 4.24 -0.09 -0.88 1.43 -1.26 -4.61 118.68 118.27 1xqq s LEU 73 Ca 0.17 0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 1xqq s LEU 73 Cb -0.14 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 1xqq s LEU 73 CO 0.06 -0.00 1.81 -0.13 0.23 0.00 0.00 176.35 178.32 1xqq s ARG 74 N -3.05 3.94 0.00 1.70 0.52 -1.26 -3.36 118.95 117.44 1xqq s ARG 74 Ca 0.39 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1xqq s ARG 74 Cb -0.12 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.25 1xqq s ARG 74 CO 0.27 -1.15 0.00 0.41 0.02 0.00 0.00 175.30 174.85 1xqq n GLY 75 N 4.59 1.57 0.00 -3.53 0.00 -1.26 -5.30 105.19 101.26 1xqq n GLY 75 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93