#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 4.46 0.27 3.17 -0.21 -1.26 -0.56 119.66 125.53 1xqq s GLN 2 Ca 0.00 1.43 0.12 0.00 0.02 0.00 0.00 55.36 56.93 1xqq s GLN 2 Cb 0.00 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 1xqq s GLN 2 CO 0.00 -0.23 -0.18 0.96 -2.12 0.00 0.00 175.29 173.71 1xqq s ILE 3 N 1.67 2.58 -0.09 1.08 -5.25 -0.58 -1.14 121.20 119.46 1xqq s ILE 3 Ca 0.50 -2.33 0.02 0.00 -0.99 0.00 0.00 60.65 57.84 1xqq s ILE 3 Cb -0.20 -2.35 -0.02 0.00 2.95 0.00 0.00 42.46 42.84 1xqq s ILE 3 CO 0.22 -0.38 -0.13 -0.36 -1.79 0.00 0.00 174.94 172.50 1xqq s PHE 4 N -2.44 2.78 -0.17 1.37 0.08 -0.10 -1.69 117.98 117.80 1xqq s PHE 4 Ca 0.30 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1xqq s PHE 4 Cb -0.05 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1xqq s PHE 4 CO 0.15 0.03 -0.16 0.08 -0.10 0.00 0.00 175.22 175.23 1xqq s VAL 5 N -0.26 1.78 -0.11 -0.44 1.01 -0.16 -0.38 120.40 121.84 1xqq s VAL 5 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1xqq s VAL 5 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1xqq s VAL 5 CO 0.03 0.44 -0.01 -0.54 0.00 0.00 0.00 175.10 175.02 1xqq s LYS 6 N 1.39 3.24 0.52 2.72 1.02 -0.56 -1.34 119.74 126.73 1xqq s LYS 6 Ca 0.04 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.65 1xqq s LYS 6 Cb -0.14 -2.85 0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1xqq s LYS 6 CO -0.11 0.54 0.72 0.95 -0.92 0.00 0.00 175.35 176.53 1xqq s THR 7 N -0.44 2.62 0.10 2.17 -4.23 -0.17 -3.05 115.64 112.64 1xqq s THR 7 Ca 0.08 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1xqq s THR 7 Cb -0.12 -2.74 -0.23 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 7 CO 0.02 0.00 1.22 -0.07 -0.54 0.00 0.00 174.62 175.25 1xqq h LEU 8 N 0.27 0.51 0.02 4.79 3.38 -1.88 -3.37 115.31 119.03 1xqq h LEU 8 Ca -0.38 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1xqq h LEU 8 Cb 1.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 8 CO 0.45 1.31 -0.01 0.71 0.09 0.00 0.00 178.44 180.99 1xqq h THR 9 N 0.16 0.00 0.00 0.22 1.35 -1.98 -3.49 112.91 109.18 1xqq h THR 9 Ca -0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1xqq h THR 9 Cb 1.77 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1xqq h THR 9 CO 0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1xqq n GLY 10 N -0.20 -1.00 3.13 5.82 0.00 -1.26 -5.16 105.19 106.52 1xqq n GLY 10 Ca -0.00 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 0.71 -0.44 1.61 2.20 -1.26 -4.98 119.74 117.57 1xqq s LYS 11 Ca 0.00 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1xqq s LYS 11 Cb 0.00 -0.62 0.13 0.00 -1.51 0.00 0.00 37.83 35.83 1xqq s LYS 11 CO 0.00 0.13 0.23 0.99 -0.36 0.00 0.00 175.35 176.34 1xqq s THR 12 N -1.33 1.66 -0.07 3.43 2.01 -1.26 -1.00 115.64 119.08 1xqq s THR 12 Ca -0.05 -2.64 -0.30 0.00 0.31 0.00 0.00 61.69 59.01 1xqq s THR 12 Cb -0.10 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1xqq s THR 12 CO 0.02 -0.85 1.13 0.27 -0.69 0.00 0.00 174.62 174.50 1xqq s ILE 13 N 0.32 4.44 -0.32 1.82 -4.36 -0.45 -4.84 121.20 117.82 1xqq s ILE 13 Ca 0.17 1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 62.16 1xqq s ILE 13 Cb -0.24 -4.12 -0.02 0.00 1.25 0.00 0.00 42.46 39.32 1xqq s ILE 13 CO -0.01 0.00 0.33 -0.89 0.24 0.00 0.00 174.94 174.61 1xqq s THR 14 N 2.12 5.20 -0.02 8.37 2.01 -1.26 -0.99 115.64 131.07 1xqq s THR 14 Ca 0.53 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.65 1xqq s THR 14 Cb -0.22 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1xqq s THR 14 CO 0.21 0.02 0.20 -0.76 -0.69 0.00 0.00 174.62 173.60 1xqq s LEU 15 N 1.97 4.38 -0.40 4.42 2.01 -0.68 -4.94 118.68 125.43 1xqq s LEU 15 Ca 0.11 0.45 -0.24 0.00 0.01 0.00 0.00 54.13 54.46 1xqq s LEU 15 Cb -0.16 -2.53 0.02 0.00 0.01 0.00 0.00 46.19 43.52 1xqq s LEU 15 CO 0.11 0.29 0.81 -1.61 1.01 0.00 0.00 176.35 176.96 1xqq s GLU 16 N -1.70 3.64 0.31 1.70 2.02 -1.26 -1.53 118.70 121.88 1xqq s GLU 16 Ca 0.25 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1xqq s GLU 16 Cb -0.13 -3.86 -0.00 0.00 0.10 0.00 0.00 34.13 30.24 1xqq s GLU 16 CO 0.15 -0.98 0.03 1.33 0.02 0.00 0.00 175.26 175.82 1xqq n VAL 17 N 5.98 0.00 -4.40 2.63 0.24 0.27 -4.87 118.33 118.19 1xqq n VAL 17 Ca 0.04 -1.56 -0.19 0.00 -2.04 0.00 0.00 64.34 60.58 1xqq n VAL 17 Cb 0.48 0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 33.11 1xqq n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xqq s GLU 18 N -3.13 0.82 0.47 7.34 2.02 -1.26 0.05 118.70 125.00 1xqq s GLU 18 Ca 0.05 -0.45 0.31 0.00 0.02 0.00 0.00 54.97 54.90 1xqq s GLU 18 Cb 0.00 -0.79 1.34 0.00 0.10 0.00 0.00 34.13 34.78 1xqq s GLU 18 CO 0.03 0.21 1.93 -1.00 0.02 0.00 0.00 175.26 176.45 1xqq h PRO 19 N 5.66 0.00 0.00 0.39 0.13 -1.96 -2.15 132.00 134.07 1xqq h PRO 19 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xqq h PRO 19 CO 0.48 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.68 1xqq n SER 20 N -2.80 0.05 -4.96 1.44 7.64 -1.26 -1.67 113.62 112.06 1xqq n SER 20 Ca 0.01 0.51 -0.22 0.00 1.01 0.00 0.00 58.87 60.17 1xqq n SER 20 Cb 0.25 -0.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -3.09 5.84 0.72 6.43 2.15 -0.81 -4.80 116.67 123.10 1xqq s ASP 21 Ca 0.11 0.19 -0.11 0.00 0.43 0.00 0.00 52.55 53.18 1xqq s ASP 21 Cb 0.16 -1.46 0.02 0.00 -0.30 0.00 0.00 42.92 41.34 1xqq s ASP 21 CO 0.45 -0.67 1.07 0.42 -0.17 0.00 0.00 175.17 176.27 1xqq s THR 22 N -2.49 3.80 0.15 1.71 -4.23 -1.26 -2.56 115.64 110.76 1xqq s THR 22 Ca 0.48 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.63 1xqq s THR 22 Cb -0.10 -3.35 -0.17 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 22 CO 0.37 -0.77 1.34 0.40 -0.54 0.00 0.00 174.62 175.42 1xqq h ILE 23 N -0.79 1.60 -0.63 2.99 2.04 -0.78 -3.02 117.51 118.93 1xqq h ILE 23 Ca -0.45 -2.99 0.13 0.00 1.00 0.00 0.00 64.86 62.56 1xqq h ILE 23 Cb 1.23 2.65 -0.11 0.00 -0.74 0.00 0.00 36.82 39.86 1xqq h ILE 23 CO 0.58 0.86 0.01 -0.08 0.00 0.00 0.00 178.15 179.52 1xqq h GLU 24 N 0.03 0.12 0.00 2.37 4.81 -1.56 -0.64 114.58 119.72 1xqq h GLU 24 Ca -0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xqq h GLU 24 Cb 1.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1xqq h GLU 24 CO 0.13 0.08 0.00 0.09 -0.73 0.00 0.00 179.01 178.58 1xqq n ASN 25 N -5.27 0.57 -0.02 1.04 3.02 -1.15 -0.92 115.26 112.53 1xqq n ASN 25 Ca 0.09 0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 55.12 1xqq n ASN 25 Cb 0.36 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 0.00 1.31 -0.27 2.41 2.07 -1.09 -3.03 116.25 117.67 1xqq h VAL 26 Ca 0.00 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1xqq h VAL 26 Cb 0.48 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1xqq h VAL 26 CO 0.00 0.26 0.01 0.11 0.02 0.00 0.00 177.57 177.97 1xqq h LYS 27 N -0.30 0.39 -0.34 1.57 1.57 -1.03 -2.51 116.57 115.91 1xqq h LYS 27 Ca 0.01 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1xqq h LYS 27 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xqq h LYS 27 CO 0.00 0.41 0.03 0.00 -0.57 0.00 0.00 179.45 179.33 1xqq h ALA 28 N 1.64 0.45 -0.39 3.86 0.00 -1.06 -2.23 119.26 121.53 1xqq h ALA 28 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xqq h ALA 28 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xqq h ALA 28 CO 0.00 0.18 0.05 0.87 0.00 0.00 0.00 179.25 180.35 1xqq h LYS 29 N 0.40 0.60 0.00 0.00 1.57 -1.33 -1.81 116.57 116.00 1xqq h LYS 29 Ca 0.10 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1xqq h LYS 29 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1xqq h LYS 29 CO 0.01 0.59 -0.52 0.82 -0.57 0.00 0.00 179.45 179.78 1xqq h ILE 30 N 0.58 1.18 0.02 1.86 2.04 -1.09 -2.50 117.51 119.59 1xqq h ILE 30 Ca 0.13 -1.91 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 1xqq h ILE 30 Cb 0.30 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1xqq h ILE 30 CO 0.00 0.51 -0.01 -0.61 0.00 0.00 0.00 178.15 178.05 1xqq h GLN 31 N 0.00 -0.02 -0.72 2.37 4.15 -1.19 -1.26 115.11 118.43 1xqq h GLN 31 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 1xqq h GLN 31 Cb 1.05 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.63 1xqq h GLN 31 CO 0.07 0.51 0.10 0.22 -1.93 0.00 0.00 178.83 177.80 1xqq h ASP 32 N -0.57 -0.13 0.00 -0.69 3.58 -1.14 0.17 116.42 117.63 1xqq h ASP 32 Ca -0.00 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1xqq h ASP 32 Cb 0.54 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1xqq h ASP 32 CO 0.00 -0.09 -0.18 0.50 -2.88 0.00 0.00 179.24 176.59 1xqq h LYS 33 N 0.19 0.00 0.00 0.28 3.64 -1.39 -3.41 116.57 115.88 1xqq h LYS 33 Ca 0.40 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.68 1xqq h LYS 33 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1xqq h LYS 33 CO -0.56 0.30 -2.10 0.39 -2.27 0.00 0.00 179.45 175.21 1xqq n GLU 34 N -4.69 0.67 -0.06 1.90 -0.58 -0.48 -5.03 120.64 112.37 1xqq n GLU 34 Ca -0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1xqq n GLU 34 Cb 0.21 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.40 1.72 3.48 0.62 0.00 0.05 -5.02 105.19 107.43 1xqq n GLY 35 Ca -0.12 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1xqq n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xqq s ILE 36 N -2.00 3.42 0.91 -0.61 2.07 -1.25 -5.04 121.20 118.70 1xqq s ILE 36 Ca 0.00 -0.56 -0.12 0.00 -1.41 0.00 0.00 60.65 58.56 1xqq s ILE 36 Cb 0.00 -2.42 0.14 0.00 0.13 0.00 0.00 42.46 40.31 1xqq s ILE 36 CO 0.00 0.56 1.10 -2.16 -1.91 0.00 0.00 174.94 172.53 1xqq s PRO 37 N -0.23 1.12 0.04 3.50 0.04 -1.26 -4.28 135.00 133.92 1xqq s PRO 37 Ca 0.02 0.60 0.26 0.00 0.04 0.00 0.00 61.00 61.93 1xqq s PRO 37 Cb -0.13 -1.81 0.78 0.00 0.04 0.00 0.00 34.50 33.38 1xqq s PRO 37 CO 0.03 -2.28 1.62 -0.35 0.04 0.00 0.00 177.00 176.06 1xqq n PRO 38 N -3.88 0.06 0.23 0.56 -0.04 -1.26 -2.94 135.00 127.74 1xqq n PRO 38 Ca 0.06 0.03 0.15 0.00 -0.04 0.00 0.00 63.50 63.71 1xqq n PRO 38 Cb 0.57 -1.55 0.57 0.00 -0.04 0.00 0.00 33.50 33.04 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xqq h ASP 39 N 0.00 0.00 0.71 3.54 3.32 -1.98 -2.05 116.42 119.96 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xqq h ASP 39 CO 0.00 0.00 -1.07 0.00 -1.72 0.00 0.00 179.24 176.45 1xqq n GLN 40 N -2.88 0.48 -3.15 3.56 6.02 -1.15 -4.65 117.38 115.61 1xqq n GLN 40 Ca 0.02 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.66 1xqq n GLN 40 Cb 0.33 -1.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 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 -3.31 4.35 0.00 -1.09 -0.21 -0.77 -0.73 119.66 117.90 1xqq s GLN 41 Ca 0.01 0.67 -0.01 0.00 0.02 0.00 0.00 55.36 56.05 1xqq s GLN 41 Cb 0.12 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 1xqq s GLN 41 CO 0.80 0.01 0.01 0.50 -2.12 0.00 0.00 175.29 174.49 1xqq s ARG 42 N 1.04 0.15 -0.10 2.91 3.52 -1.19 -4.79 118.95 120.49 1xqq s ARG 42 Ca 0.31 -0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1xqq s ARG 42 Cb -0.16 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 1xqq s ARG 42 CO 0.13 -0.03 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.03 1xqq s LEU 43 N -0.56 3.17 -0.03 -0.88 1.43 -1.26 -0.97 118.68 119.57 1xqq s LEU 43 Ca -0.06 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1xqq s LEU 43 Cb -0.04 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1xqq s LEU 43 CO -0.00 0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 176.10 1xqq s ILE 44 N -0.38 1.21 -0.27 -0.59 -1.09 0.18 -2.31 121.20 117.95 1xqq s ILE 44 Ca 0.06 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1xqq s ILE 44 Cb -0.12 -1.04 0.07 0.00 -1.58 0.00 0.00 42.46 39.78 1xqq s ILE 44 CO 0.02 0.35 -0.07 0.12 -1.23 0.00 0.00 174.94 174.14 1xqq s PHE 45 N 0.04 3.23 0.00 3.97 5.36 -0.43 -0.87 117.98 129.27 1xqq s PHE 45 Ca -0.02 -2.37 0.00 0.00 -0.96 0.00 0.00 56.93 53.57 1xqq s PHE 45 Cb -0.10 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 1xqq s PHE 45 CO 0.01 -0.88 0.00 0.00 -1.46 0.00 0.00 175.22 172.89 1xqq n ALA 46 N 4.43 0.00 -0.95 11.12 0.00 -1.26 -1.30 120.51 132.55 1xqq n ALA 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 1.00 3.44 0.00 0.00 -1.26 -5.09 105.19 103.28 1xqq n GLY 47 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.58 0.10 1.61 1.02 -0.42 -5.11 119.74 118.52 1xqq s LYS 48 Ca 0.00 -1.45 -0.25 0.00 0.02 0.00 0.00 55.97 54.29 1xqq s LYS 48 Cb 0.00 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.34 1xqq s LYS 48 CO 0.00 0.42 0.77 1.14 -0.92 0.00 0.00 175.35 176.75 1xqq s GLN 49 N -2.56 4.52 -0.26 1.68 -2.07 -1.26 -1.31 119.66 118.41 1xqq s GLN 49 Ca 0.20 1.10 -0.16 0.00 -1.82 0.00 0.00 55.36 54.68 1xqq s GLN 49 Cb -0.09 -3.31 -0.03 0.00 -1.09 0.00 0.00 33.01 28.49 1xqq s GLN 49 CO 0.10 0.43 0.44 -0.51 -1.32 0.00 0.00 175.29 174.42 1xqq s LEU 50 N -0.60 4.06 0.27 2.60 1.43 -0.98 -4.96 118.68 120.50 1xqq s LEU 50 Ca 0.37 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.59 1xqq s LEU 50 Cb -0.22 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 1xqq s LEU 50 CO 0.24 -0.22 0.97 -0.70 0.23 0.00 0.00 176.35 176.88 1xqq s GLU 51 N 2.09 4.73 0.08 1.70 2.12 -1.26 -4.68 118.70 123.47 1xqq s GLU 51 Ca 0.18 1.51 -0.22 0.00 0.36 0.00 0.00 54.97 56.79 1xqq s GLU 51 Cb -0.16 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 1xqq s GLU 51 CO 0.09 0.39 1.36 -0.44 -0.54 0.00 0.00 175.26 176.12 1xqq h ASP 52 N 3.80 -1.12 0.00 -1.70 5.19 -1.97 -3.00 116.42 117.62 1xqq h ASP 52 Ca -0.46 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1xqq h ASP 52 Cb 1.20 0.44 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1xqq h ASP 52 CO 0.67 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 1xqq n GLY 53 N -1.28 -0.46 3.86 2.75 0.00 -1.26 -1.59 105.19 107.21 1xqq n GLY 53 Ca -0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.72 0.66 1.61 0.52 -1.13 -4.96 118.95 116.37 1xqq s ARG 54 Ca 0.12 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.05 1xqq s ARG 54 Cb 0.06 -2.48 0.11 0.00 0.52 0.00 0.00 34.95 33.15 1xqq s ARG 54 CO 0.10 0.05 0.91 0.95 0.02 0.00 0.00 175.30 177.33 1xqq s THR 55 N -2.32 2.20 -0.11 0.02 -4.23 -1.26 -1.20 115.64 108.74 1xqq s THR 55 Ca 0.42 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 60.35 1xqq s THR 55 Cb -0.06 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1xqq s THR 55 CO 0.27 0.00 1.39 -0.07 -0.54 0.00 0.00 174.62 175.67 1xqq h LEU 56 N -0.26 0.00 -0.48 4.79 3.38 -1.35 -3.15 115.31 118.24 1xqq h LEU 56 Ca -0.35 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1xqq h LEU 56 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 56 CO 0.41 0.60 -0.39 0.28 0.09 0.00 0.00 178.44 179.43 1xqq h SER 57 N 0.00 0.00 -0.96 -0.43 0.02 -1.58 0.10 113.55 110.71 1xqq h SER 57 Ca -0.01 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1xqq h SER 57 Cb 1.46 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.93 1xqq h SER 57 CO 0.08 0.39 0.61 0.44 -1.14 0.00 0.00 176.83 177.21 1xqq h ASP 58 N 0.00 0.84 0.05 3.07 3.32 -1.85 -2.97 116.42 118.87 1xqq h ASP 58 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xqq h ASP 58 Cb 1.11 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1xqq h ASP 58 CO 0.05 0.44 -1.15 -1.22 -1.72 0.00 0.00 179.24 175.64 1xqq n TYR 59 N -4.59 0.02 -3.37 4.55 4.02 -1.21 -5.00 117.16 111.58 1xqq n TYR 59 Ca 0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.88 1xqq n TYR 59 Cb 0.38 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1xqq n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xqq n ASN 60 N -1.66 -6.30 -4.60 7.72 4.13 -1.01 -5.02 115.26 108.53 1xqq n ASN 60 Ca 0.03 -0.79 -0.40 0.00 1.68 0.00 0.00 54.58 55.09 1xqq n ASN 60 Cb 0.38 -4.70 -0.07 0.00 -1.54 0.00 0.00 39.78 33.85 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -3.41 5.03 0.28 2.41 1.01 0.33 -5.01 121.20 121.84 1xqq s ILE 61 Ca 0.46 0.76 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1xqq s ILE 61 Cb -0.09 -3.89 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1xqq s ILE 61 CO 0.77 -0.02 0.32 0.00 0.00 0.00 0.00 174.94 176.02 1xqq n GLN 62 N 5.65 0.91 -1.67 2.79 6.02 -1.26 -4.64 117.38 125.19 1xqq n GLN 62 Ca -0.04 -1.59 -0.33 0.00 -0.01 0.00 0.00 57.00 55.03 1xqq n GLN 62 Cb 0.49 -0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.80 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 -3.22 2.69 -1.52 -1.09 -2.85 -1.26 -3.58 119.74 108.91 1xqq s LYS 63 Ca 0.24 1.37 -0.14 0.00 -1.00 0.00 0.00 55.97 56.44 1xqq s LYS 63 Cb -0.02 -1.94 0.08 0.00 -2.06 0.00 0.00 37.83 33.89 1xqq s LYS 63 CO 0.15 -1.33 1.01 0.39 0.10 0.00 0.00 175.35 175.67 1xqq n GLU 64 N -2.60 -5.78 -3.44 1.78 1.02 -0.29 -4.98 120.64 106.34 1xqq n GLU 64 Ca 0.10 0.62 -0.38 0.00 -0.02 0.00 0.00 57.16 57.48 1xqq n GLU 64 Cb 0.52 -5.53 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.30 6.76 -0.46 1.62 0.01 -1.23 -4.90 113.70 112.19 1xqq s SER 65 Ca 0.67 0.90 -0.28 0.00 1.31 0.00 0.00 55.95 58.54 1xqq s SER 65 Cb -0.33 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.67 1xqq s SER 65 CO 0.82 0.22 1.09 -0.89 0.41 0.00 0.00 173.24 174.88 1xqq s THR 66 N -0.49 4.28 0.05 1.44 2.01 -1.26 -0.93 115.64 120.75 1xqq s THR 66 Ca 0.24 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.40 1xqq s THR 66 Cb -0.16 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1xqq s THR 66 CO 0.12 -0.94 0.13 -0.76 -0.69 0.00 0.00 174.62 172.48 1xqq s LEU 67 N 4.26 4.05 -0.07 4.42 1.43 0.49 -4.75 118.68 128.50 1xqq s LEU 67 Ca 0.45 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1xqq s LEU 67 Cb -0.08 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1xqq s LEU 67 CO 0.30 0.20 -0.08 -1.00 0.23 0.00 0.00 176.35 175.99 1xqq s HIS 68 N -1.39 2.89 -0.18 0.29 3.76 -0.05 -1.49 115.29 119.12 1xqq s HIS 68 Ca 0.30 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1xqq s HIS 68 Cb -0.12 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1xqq s HIS 68 CO 0.22 0.24 -0.14 -1.17 -0.85 0.00 0.00 174.74 173.05 1xqq s LEU 69 N -0.63 2.47 0.44 0.89 2.96 -1.17 0.50 118.68 124.12 1xqq s LEU 69 Ca 0.09 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1xqq s LEU 69 Cb -0.11 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1xqq s LEU 69 CO 0.02 0.03 0.35 0.68 -1.32 0.00 0.00 176.35 176.11 1xqq s VAL 70 N 1.14 2.43 0.04 1.68 -7.23 -0.14 -4.50 120.40 113.82 1xqq s VAL 70 Ca 0.01 -1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 1xqq s VAL 70 Cb -0.14 -2.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 1xqq s VAL 70 CO -0.05 0.00 0.82 -0.22 -0.31 0.00 0.00 175.10 175.34 1xqq s LEU 71 N -4.12 4.44 -0.40 1.32 2.96 -1.26 -3.14 118.68 118.48 1xqq s LEU 71 Ca 0.45 1.51 -0.21 0.00 -0.22 0.00 0.00 54.13 55.67 1xqq s LEU 71 Cb -0.02 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1xqq s LEU 71 CO 0.26 -0.04 0.64 -0.60 -1.32 0.00 0.00 176.35 175.29 1xqq s ARG 72 N 0.16 3.46 0.42 1.98 3.52 0.09 -4.88 118.95 123.70 1xqq s ARG 72 Ca 0.41 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.62 1xqq s ARG 72 Cb -0.21 -3.89 -0.11 0.00 -1.56 0.00 0.00 34.95 29.19 1xqq s ARG 72 CO 0.24 -0.89 0.96 -0.51 -0.81 0.00 0.00 175.30 174.29 1xqq s LEU 73 N 2.78 4.00 -0.13 -0.88 1.43 -1.26 -4.76 118.68 119.86 1xqq s LEU 73 Ca 0.24 1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 1xqq s LEU 73 Cb -0.14 -4.45 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1xqq s LEU 73 CO 0.17 -0.36 0.77 -0.60 0.23 0.00 0.00 176.35 176.57 1xqq s ARG 74 N -2.99 4.34 0.00 1.70 3.52 -1.26 -4.48 118.95 119.77 1xqq s ARG 74 Ca 0.61 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 1xqq s ARG 74 Cb -0.11 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1xqq s ARG 74 CO 0.16 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1xqq n GLY 75 N 3.37 -1.45 0.00 8.12 0.00 -1.26 -5.31 105.19 108.66 1xqq n GLY 75 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93