#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq s ILE 3 N 0.00 1.42 0.29 4.25 1.09 -1.26 -5.11 121.20 121.88 1xmq s ILE 3 Ca 0.00 -1.51 -0.29 0.00 -1.10 0.00 0.00 60.65 57.74 1xmq s ILE 3 Cb 0.00 -1.92 -0.10 0.00 -1.06 0.00 0.00 42.46 39.38 1xmq s ILE 3 CO 0.00 -0.43 1.41 0.42 -0.10 0.00 0.00 174.94 176.25 1xmq s THR 4 N 1.38 2.56 0.56 2.92 -4.23 -1.26 -4.85 115.64 112.73 1xmq s THR 4 Ca 0.04 0.51 0.30 0.00 -1.18 0.00 0.00 61.69 61.36 1xmq s THR 4 Cb -0.18 -3.32 0.43 0.00 1.34 0.00 0.00 72.50 70.76 1xmq s THR 4 CO -0.13 0.10 1.87 0.11 -0.54 0.00 0.00 174.62 176.03 1xmq h LYS 5 N 4.23 0.00 0.18 3.99 1.57 -1.99 0.98 116.57 125.54 1xmq h LYS 5 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1xmq h LYS 5 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1xmq h LYS 5 CO 0.72 0.00 -0.09 0.93 -0.57 0.00 0.00 179.45 180.44 1xmq h GLU 6 N 0.00 -0.24 -0.63 3.15 4.39 -1.98 -2.37 114.58 116.90 1xmq h GLU 6 Ca 0.32 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.12 1xmq h GLU 6 Cb 1.48 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.12 1xmq h GLU 6 CO -0.00 0.17 0.29 1.49 -1.16 0.00 0.00 179.01 179.80 1xmq h GLU 7 N -0.77 0.51 0.55 2.33 4.22 -1.25 -0.95 114.58 119.22 1xmq h GLU 7 Ca -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 1xmq h GLU 7 Cb 0.51 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xmq h GLU 7 CO 0.04 0.34 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.70 1xmq h LYS 8 N 0.52 -0.74 0.00 1.92 3.64 -1.14 -2.34 116.57 118.43 1xmq h LYS 8 Ca 0.31 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1xmq h LYS 8 Cb 0.31 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1xmq h LYS 8 CO -0.25 -0.49 0.08 1.04 -2.27 0.00 0.00 179.45 177.56 1xmq n GLN 9 N -4.17 0.09 0.12 1.90 6.02 -0.89 -0.15 117.38 120.30 1xmq n GLN 9 Ca -0.09 0.57 -0.01 0.00 -0.01 0.00 0.00 57.00 57.46 1xmq n GLN 9 Cb 0.31 -1.89 0.08 0.00 1.02 0.00 0.00 30.24 29.76 1xmq n GLN 9 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1xmq h LYS 10 N 0.00 0.00 0.08 -1.09 1.63 -0.62 -2.89 116.57 113.68 1xmq h LYS 10 Ca 0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 1xmq h LYS 10 Cb 0.16 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1xmq h LYS 10 CO 0.00 0.67 -1.90 0.28 -3.45 0.00 0.00 179.45 175.05 1xmq n VAL 11 N -3.48 1.72 -0.37 2.00 0.31 0.78 -2.57 118.33 116.72 1xmq n VAL 11 Ca 0.00 -0.71 0.05 0.00 -0.01 0.00 0.00 64.34 63.67 1xmq n VAL 11 Cb 0.73 -1.48 0.21 0.00 -0.91 0.00 0.00 33.84 32.39 1xmq n VAL 11 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1xmq h ILE 12 N 0.05 1.01 -0.01 2.52 2.04 -1.37 -0.01 117.51 121.74 1xmq h ILE 12 Ca -0.38 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 1xmq h ILE 12 Cb 2.03 -0.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1xmq h ILE 12 CO 0.09 0.20 -0.49 1.56 0.00 0.00 0.00 178.15 179.50 1xmq h GLN 13 N 1.10 0.36 0.00 2.37 4.20 -1.63 -0.57 115.11 120.94 1xmq h GLN 13 Ca 0.46 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xmq h GLN 13 Cb 0.32 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xmq h GLN 13 CO -0.21 1.04 0.04 1.49 -0.67 0.00 0.00 178.83 180.52 1xmq h GLU 14 N -0.18 0.00 0.00 1.46 4.57 -1.10 -3.15 114.58 116.18 1xmq h GLU 14 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xmq h GLU 14 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1xmq h GLU 14 CO 0.10 0.00 -0.88 1.19 -1.18 0.00 0.00 179.01 178.24 1xmq n PHE 15 N -2.52 0.00 -1.53 0.92 3.01 -0.08 -5.05 117.46 112.20 1xmq n PHE 15 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1xmq n PHE 15 Cb 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 1xmq n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xmq n ALA 16 N -1.33 -0.90 0.08 4.37 0.00 -0.23 -4.59 120.51 117.92 1xmq n ALA 16 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.71 1xmq n ALA 16 Cb 0.01 -1.91 0.06 0.00 0.00 0.00 0.00 19.45 17.61 1xmq n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmq h ARG 17 N 1.55 0.24 -3.16 0.00 2.47 -1.90 -3.46 114.38 110.12 1xmq h ARG 17 Ca -0.38 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.07 1xmq h ARG 17 Cb 1.37 0.04 -0.16 0.00 -1.65 0.00 0.00 29.97 29.58 1xmq h ARG 17 CO 0.58 0.86 -0.11 -0.59 0.56 0.00 0.00 179.97 181.27 1xmq s PHE 18 N -3.54 -0.23 -0.10 3.04 -0.12 -1.26 -5.08 117.98 110.70 1xmq s PHE 18 Ca -0.04 0.10 -0.39 0.00 -0.05 0.00 0.00 56.93 56.56 1xmq s PHE 18 Cb 0.11 0.22 -0.17 0.00 -0.63 0.00 0.00 43.02 42.55 1xmq s PHE 18 CO 0.81 -0.60 1.51 -2.30 -0.05 0.00 0.00 175.22 174.59 1xmq n PRO 19 N 0.30 1.05 -0.35 1.99 -0.02 -1.26 -1.02 135.00 135.68 1xmq n PRO 19 Ca -0.18 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1xmq n PRO 19 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1xmq n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmq n GLY 20 N 3.23 0.76 3.60 -1.23 0.00 -1.26 -5.03 105.19 105.27 1xmq n GLY 20 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1xmq n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xmq s ASP 21 N -2.98 6.38 -0.12 1.61 3.68 -0.19 -4.85 116.67 120.20 1xmq s ASP 21 Ca 0.00 0.83 -0.01 0.00 2.13 0.00 0.00 52.55 55.50 1xmq s ASP 21 Cb 0.00 -2.54 -0.07 0.00 -1.45 0.00 0.00 42.92 38.86 1xmq s ASP 21 CO 0.00 -1.39 -0.12 0.35 0.13 0.00 0.00 175.17 174.13 1xmq n THR 22 N 6.99 0.70 -1.15 1.71 -2.24 -1.26 -4.56 114.28 114.47 1xmq n THR 22 Ca 0.16 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1xmq n THR 22 Cb 0.48 -1.10 0.24 0.00 -2.10 0.00 0.00 70.33 67.85 1xmq n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xmq n GLY 23 N 2.75 4.12 3.80 3.38 0.00 -1.26 -4.48 105.19 113.49 1xmq n GLY 23 Ca -0.22 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1xmq n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmq s SER 24 N -1.19 5.56 0.58 1.61 1.04 -1.26 -4.82 113.70 115.22 1xmq s SER 24 Ca 0.56 1.79 0.28 0.00 0.48 0.00 0.00 55.95 59.06 1xmq s SER 24 Cb 0.46 -2.53 1.60 0.00 0.10 0.00 0.00 66.02 65.65 1xmq s SER 24 CO 0.12 -1.32 2.07 0.74 0.98 0.00 0.00 173.24 175.83 1xmq h THR 25 N 0.05 0.51 0.24 2.02 2.02 -1.99 -1.10 112.91 114.64 1xmq h THR 25 Ca -0.46 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.39 1xmq h THR 25 Cb 1.22 0.81 0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1xmq h THR 25 CO 0.57 0.00 -1.52 -0.33 0.37 0.00 0.00 175.52 174.61 1xmq h GLU 26 N 0.00 0.50 -0.30 6.66 3.07 -1.90 -2.49 114.58 120.12 1xmq h GLU 26 Ca 0.11 -0.86 0.00 0.00 -0.50 0.00 0.00 59.36 58.11 1xmq h GLU 26 Cb 0.59 0.32 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1xmq h GLU 26 CO -0.00 1.41 0.20 0.28 -1.40 0.00 0.00 179.01 179.50 1xmq h VAL 27 N 0.11 1.08 0.29 3.13 2.07 -1.52 0.17 116.25 121.58 1xmq h VAL 27 Ca -0.27 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xmq h VAL 27 Cb 2.14 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1xmq h VAL 27 CO 0.25 0.08 -0.25 1.56 0.02 0.00 0.00 177.57 179.23 1xmq h GLN 28 N 0.40 -0.54 -0.61 1.57 4.20 -1.33 0.15 115.11 118.95 1xmq h GLN 28 Ca 0.11 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1xmq h GLN 28 Cb -0.04 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1xmq h GLN 28 CO -0.02 -0.36 0.40 0.28 -0.67 0.00 0.00 178.83 178.46 1xmq h VAL 29 N -0.56 1.07 0.60 -0.54 2.07 -1.28 -0.56 116.25 117.04 1xmq h VAL 29 Ca -0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1xmq h VAL 29 Cb 0.50 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1xmq h VAL 29 CO -0.03 0.13 -0.29 0.00 0.02 0.00 0.00 177.57 177.40 1xmq h ALA 30 N 1.65 -0.81 -0.28 1.67 0.00 -0.31 -0.50 119.26 120.69 1xmq h ALA 30 Ca 0.25 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1xmq h ALA 30 Cb 0.11 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1xmq h ALA 30 CO -0.07 -0.85 -0.42 -0.07 0.00 0.00 0.00 179.25 177.84 1xmq h LEU 31 N -1.00 -1.36 -0.25 0.00 4.07 -0.22 -1.19 115.31 115.35 1xmq h LEU 31 Ca -0.08 0.20 0.06 0.00 0.08 0.00 0.00 57.88 58.13 1xmq h LEU 31 Cb 0.67 0.58 -0.07 0.00 1.08 0.00 0.00 40.66 42.92 1xmq h LEU 31 CO 0.14 -0.39 -0.29 -0.07 -1.08 0.00 0.00 178.44 176.74 1xmq h LEU 32 N -0.40 -0.94 -1.94 1.67 3.38 -1.11 0.18 115.31 116.16 1xmq h LEU 32 Ca 0.11 0.16 0.23 0.00 0.09 0.00 0.00 57.88 58.47 1xmq h LEU 32 Cb 0.60 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1xmq h LEU 32 CO -0.49 -0.32 0.65 0.74 0.09 0.00 0.00 178.44 179.11 1xmq h THR 33 N -0.30 0.45 0.35 0.22 2.02 -0.02 0.35 112.91 115.97 1xmq h THR 33 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1xmq h THR 33 Cb 0.51 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1xmq h THR 33 CO -0.42 0.00 -0.17 0.25 0.37 0.00 0.00 175.52 175.55 1xmq h LEU 34 N 0.00 -0.40 0.17 2.58 6.46 0.47 -2.70 115.31 121.90 1xmq h LEU 34 Ca 0.38 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1xmq h LEU 34 Cb 1.68 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 41.67 1xmq h LEU 34 CO -0.00 0.06 -0.33 0.03 -0.62 0.00 0.00 178.44 177.57 1xmq h ARG 35 N -1.02 -0.57 -0.85 1.25 3.08 -0.47 -1.17 114.38 114.63 1xmq h ARG 35 Ca -0.05 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.26 1xmq h ARG 35 Cb 0.49 0.13 -0.15 0.00 0.08 0.00 0.00 29.97 30.52 1xmq h ARG 35 CO 0.08 -0.38 0.11 0.82 -1.07 0.00 0.00 179.97 179.53 1xmq h ILE 36 N -0.59 0.27 -0.18 2.04 2.04 -0.50 0.20 117.51 120.78 1xmq h ILE 36 Ca 0.02 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1xmq h ILE 36 Cb 0.60 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1xmq h ILE 36 CO -0.16 0.02 -0.39 0.78 0.00 0.00 0.00 178.15 178.40 1xmq h ASN 37 N 0.13 0.43 1.04 1.72 -0.26 -1.03 -0.43 115.58 117.18 1xmq h ASN 37 Ca 0.51 -0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.99 1xmq h ASN 37 Cb 0.99 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1xmq h ASN 37 CO -0.71 0.78 -0.38 0.03 -1.06 0.00 0.00 177.43 176.08 1xmq h ARG 38 N 0.34 0.00 0.13 0.81 2.47 0.46 -2.83 114.38 115.75 1xmq h ARG 38 Ca 0.03 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.45 1xmq h ARG 38 Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1xmq h ARG 38 CO 0.07 0.38 -1.51 1.25 0.56 0.00 0.00 179.97 180.72 1xmq h LEU 39 N 0.00 0.42 -1.50 3.04 6.46 -0.57 -2.99 115.31 120.16 1xmq h LEU 39 Ca -0.00 -0.56 -0.03 0.00 -0.12 0.00 0.00 57.88 57.17 1xmq h LEU 39 Cb 1.00 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1xmq h LEU 39 CO 0.05 1.46 0.02 0.28 -0.62 0.00 0.00 178.44 179.63 1xmq h SER 40 N 0.07 0.31 -0.19 1.25 0.02 -1.03 -0.64 113.55 113.34 1xmq h SER 40 Ca -0.24 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.50 1xmq h SER 40 Cb 2.02 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.49 1xmq h SER 40 CO 0.17 0.35 -0.57 -0.08 -1.14 0.00 0.00 176.83 175.56 1xmq h GLU 41 N 0.33 0.72 -0.86 3.45 4.57 -1.55 -2.62 114.58 118.62 1xmq h GLU 41 Ca 0.08 -0.52 0.04 0.00 -1.18 0.00 0.00 59.36 57.78 1xmq h GLU 41 Cb 0.20 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1xmq h GLU 41 CO 0.00 1.14 0.55 1.25 -1.18 0.00 0.00 179.01 180.77 1xmq h HIS 42 N 0.42 1.03 0.00 0.92 2.76 -1.23 -2.12 115.15 116.92 1xmq h HIS 42 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1xmq h HIS 42 Cb 1.19 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1xmq h HIS 42 CO 0.09 0.57 0.00 1.28 -1.30 0.00 0.00 177.93 178.57 1xmq n LEU 43 N -4.57 0.00 0.05 0.26 4.77 -0.31 -2.70 117.00 114.50 1xmq n LEU 43 Ca 0.11 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 1xmq n LEU 43 Cb 0.11 -0.33 0.16 0.00 -2.33 0.00 0.00 43.42 41.03 1xmq n LEU 43 CO 0.33 -0.00 0.61 0.11 -1.33 0.00 0.00 177.39 177.11 1xmq h LYS 44 N 0.00 0.39 -6.33 3.23 1.57 -0.99 -3.36 116.57 111.09 1xmq h LYS 44 Ca 0.00 -0.20 -0.50 0.00 -1.87 0.00 0.00 60.65 58.08 1xmq h LYS 44 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1xmq h LYS 44 CO 0.00 0.75 -0.24 0.08 -0.57 0.00 0.00 179.45 179.47 1xmq s VAL 45 N -4.16 2.32 -1.28 0.50 1.01 -1.10 -4.62 120.40 113.07 1xmq s VAL 45 Ca -0.06 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 1xmq s VAL 45 Cb 0.13 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1xmq s VAL 45 CO 0.80 0.00 0.59 1.41 0.00 0.00 0.00 175.10 177.89 1xmq n HIS 46 N -1.89 -1.70 0.37 5.22 8.25 -1.25 -4.80 115.22 119.42 1xmq n HIS 46 Ca 0.07 0.54 0.12 0.00 -0.26 0.00 0.00 57.72 58.19 1xmq n HIS 46 Cb 0.62 -3.47 0.52 0.00 1.12 0.00 0.00 29.99 28.78 1xmq n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1xmq h LYS 47 N -1.96 0.00 -0.74 -0.41 1.57 -1.82 -2.34 116.57 110.87 1xmq h LYS 47 Ca -0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1xmq h LYS 47 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1xmq h LYS 47 CO 0.56 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.07 1xmq n LYS 48 N -2.33 2.73 -2.04 3.15 5.02 -1.26 -4.62 118.16 118.81 1xmq n LYS 48 Ca 0.02 -2.67 -0.40 0.00 -2.02 0.00 0.00 58.31 53.23 1xmq n LYS 48 Cb 0.23 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1xmq n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xmq n ASP 49 N 1.67 7.76 -0.22 4.39 2.03 -0.88 -4.77 116.55 126.52 1xmq n ASP 49 Ca 0.25 -3.15 -0.01 0.00 0.52 0.00 0.00 54.79 52.40 1xmq n ASP 49 Cb 0.63 -1.37 0.10 0.00 -0.72 0.00 0.00 41.12 39.76 1xmq n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1xmq h HIS 50 N 4.71 0.61 -0.67 -0.67 3.86 -1.86 -2.67 115.15 118.46 1xmq h HIS 50 Ca 0.67 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 60.05 1xmq h HIS 50 Cb 0.33 -0.18 -0.11 0.00 1.06 0.00 0.00 27.41 28.52 1xmq h HIS 50 CO 1.57 0.26 0.08 0.45 0.86 0.00 0.00 177.93 181.15 1xmq h HIS 51 N 0.61 0.10 0.00 2.45 3.86 -2.00 0.71 115.15 120.87 1xmq h HIS 51 Ca 0.30 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 1xmq h HIS 51 Cb 0.24 0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1xmq h HIS 51 CO -0.10 -0.13 -0.14 0.77 0.86 0.00 0.00 177.93 179.20 1xmq h SER 52 N 0.19 0.00 0.12 2.45 0.02 -1.89 -1.97 113.55 112.46 1xmq h SER 52 Ca 0.36 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1xmq h SER 52 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1xmq h SER 52 CO -0.52 0.14 -0.33 -0.74 -1.14 0.00 0.00 176.83 174.25 1xmq h HIS 53 N 0.00 0.34 0.00 3.45 6.17 0.60 -0.47 115.15 125.25 1xmq h HIS 53 Ca -0.00 -0.08 -0.02 0.00 0.71 0.00 0.00 60.37 60.98 1xmq h HIS 53 Cb 0.24 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.09 1xmq h HIS 53 CO 0.00 0.60 -0.08 -0.09 0.71 0.00 0.00 177.93 179.07 1xmq h ARG 54 N 0.26 0.00 -0.07 5.26 2.43 -0.44 0.93 114.38 122.76 1xmq h ARG 54 Ca 0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1xmq h ARG 54 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xmq h ARG 54 CO 0.05 0.08 -0.36 0.78 -1.51 0.00 0.00 179.97 179.02 1xmq h GLY 55 N 0.36 0.41 0.19 2.80 0.00 -1.10 -2.20 103.07 103.53 1xmq h GLY 55 Ca -0.00 -0.57 0.05 0.00 0.00 0.00 0.00 47.33 46.80 1xmq h GLY 55 CO 0.01 0.51 -0.29 -2.00 0.00 0.00 0.00 176.54 174.78 1xmq h LEU 56 N -0.11 -0.89 -0.66 3.11 5.85 -0.32 -1.53 115.31 120.75 1xmq h LEU 56 Ca -0.02 0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1xmq h LEU 56 Cb 1.01 0.39 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 1xmq h LEU 56 CO 0.07 -0.33 -0.17 0.25 -0.34 0.00 0.00 178.44 177.93 1xmq h LEU 57 N -0.35 -0.62 0.05 2.25 5.85 -0.85 -0.64 115.31 121.00 1xmq h LEU 57 Ca 0.10 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1xmq h LEU 57 Cb 0.51 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1xmq h LEU 57 CO -0.34 -0.22 -0.03 0.24 -0.34 0.00 0.00 178.44 177.75 1xmq h MET 58 N -0.00 -0.07 0.07 1.25 2.86 -0.67 -1.47 114.93 116.90 1xmq h MET 58 Ca 0.32 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1xmq h MET 58 Cb 0.48 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1xmq h MET 58 CO -0.68 0.09 -0.19 0.52 1.06 0.00 0.00 176.91 177.70 1xmq h MET 59 N -0.21 -0.33 -0.68 1.72 2.86 -0.83 0.39 114.93 117.83 1xmq h MET 59 Ca -0.01 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.80 1xmq h MET 59 Cb 0.19 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.81 1xmq h MET 59 CO 0.01 -0.22 0.07 0.28 1.06 0.00 0.00 176.91 178.11 1xmq h VAL 60 N -0.35 0.47 0.49 -2.22 2.07 -1.10 0.40 116.25 116.02 1xmq h VAL 60 Ca 0.04 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1xmq h VAL 60 Cb 0.39 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1xmq h VAL 60 CO -0.13 0.03 -0.24 1.23 0.02 0.00 0.00 177.57 178.48 1xmq h GLY 61 N 0.17 -0.69 0.12 2.17 0.00 -0.33 -2.48 103.07 102.02 1xmq h GLY 61 Ca 0.37 0.26 0.23 0.00 0.00 0.00 0.00 47.33 48.19 1xmq h GLY 61 CO -0.54 -0.25 0.64 -1.61 0.00 0.00 0.00 176.54 174.77 1xmq h GLN 62 N -0.86 0.34 -0.04 4.80 5.75 0.45 -0.35 115.11 125.20 1xmq h GLN 62 Ca -0.07 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1xmq h GLN 62 Cb 0.59 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 1xmq h GLN 62 CO 0.11 0.23 -0.01 -0.09 -2.65 0.00 0.00 178.83 176.42 1xmq h ARG 63 N 0.35 0.08 0.00 1.69 2.43 0.02 -2.69 114.38 116.26 1xmq h ARG 63 Ca 0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1xmq h ARG 63 Cb 1.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1xmq h ARG 63 CO -0.19 0.40 0.00 0.07 -1.51 0.00 0.00 179.97 178.74 1xmq h ARG 64 N -0.25 0.00 -0.01 0.20 0.11 -0.63 -0.99 114.38 112.81 1xmq h ARG 64 Ca 0.01 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.02 1xmq h ARG 64 Cb 0.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.46 1xmq h ARG 64 CO 0.00 0.00 -0.26 0.00 0.10 0.00 0.00 179.97 179.81 1xmq h ARG 65 N 0.00 0.19 0.15 0.08 3.08 -1.13 -0.39 114.38 116.36 1xmq h ARG 65 Ca 0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1xmq h ARG 65 Cb 0.17 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1xmq h ARG 65 CO 0.00 0.92 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.55 1xmq h LEU 66 N -0.46 -0.54 -0.30 3.04 3.38 -0.97 -1.16 115.31 118.30 1xmq h LEU 66 Ca -0.03 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xmq h LEU 66 Cb 1.01 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1xmq h LEU 66 CO 0.05 -0.29 0.07 -0.07 0.09 0.00 0.00 178.44 178.29 1xmq h LEU 67 N -0.40 0.04 -1.25 1.67 3.38 -1.29 0.18 115.31 117.63 1xmq h LEU 67 Ca 0.01 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.23 1xmq h LEU 67 Cb 0.40 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1xmq h LEU 67 CO -0.08 0.06 0.61 -0.09 0.09 0.00 0.00 178.44 179.03 1xmq h ARG 68 N 0.18 0.58 -0.15 1.13 2.43 -0.73 0.21 114.38 118.03 1xmq h ARG 68 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1xmq h ARG 68 Cb 0.14 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xmq h ARG 68 CO -0.17 0.38 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.63 1xmq h TYR 69 N 0.60 0.41 0.27 2.20 3.20 0.39 -3.07 116.97 120.97 1xmq h TYR 69 Ca 0.53 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 1xmq h TYR 69 Cb 1.05 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1xmq h TYR 69 CO -0.00 0.72 -0.40 1.25 -1.64 0.00 0.00 178.16 178.09 1xmq h LEU 70 N -0.01 -1.13 -1.88 2.82 7.12 0.12 -1.73 115.31 120.61 1xmq h LEU 70 Ca 0.03 0.10 0.17 0.00 0.13 0.00 0.00 57.88 58.31 1xmq h LEU 70 Cb 0.64 0.39 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 1xmq h LEU 70 CO 0.03 -0.48 0.58 -0.61 -0.13 0.00 0.00 178.44 177.83 1xmq h GLN 71 N -0.70 0.00 0.00 1.25 4.15 -1.34 0.49 115.11 118.96 1xmq h GLN 71 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xmq h GLN 71 Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1xmq h GLN 71 CO -0.12 0.00 0.00 -0.09 -1.93 0.00 0.00 178.83 176.69 1xmq h ARG 72 N 0.00 0.00 0.00 1.69 2.43 -1.23 -3.31 114.38 113.96 1xmq h ARG 72 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1xmq h ARG 72 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1xmq h ARG 72 CO -0.00 0.00 -0.22 0.39 -1.51 0.00 0.00 179.97 178.62 1xmq n GLU 73 N -2.94 0.12 -3.65 0.20 -0.58 0.16 -4.87 120.64 109.08 1xmq n GLU 73 Ca 0.04 0.05 -0.27 0.00 -0.42 0.00 0.00 57.16 56.55 1xmq n GLU 73 Cb 0.49 -0.66 -0.10 0.00 -0.57 0.00 0.00 31.44 30.60 1xmq n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xmq n ASP 74 N -2.98 3.23 0.13 1.62 -0.08 -0.61 -4.93 116.55 112.93 1xmq n ASP 74 Ca -0.03 -3.29 0.03 0.00 -1.51 0.00 0.00 54.79 49.99 1xmq n ASP 74 Cb 0.12 -0.71 0.16 0.00 2.34 0.00 0.00 41.12 43.02 1xmq n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xmq n PRO 75 N 1.44 0.04 -0.06 -0.67 -0.04 -1.25 -0.54 135.00 133.93 1xmq n PRO 75 Ca 0.25 0.45 -0.07 0.00 -0.04 0.00 0.00 63.50 64.09 1xmq n PRO 75 Cb 0.39 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 1xmq n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xmq h GLU 76 N 0.00 0.00 -0.79 0.54 4.57 -1.92 -2.62 114.58 114.36 1xmq h GLU 76 Ca 0.00 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.35 1xmq h GLU 76 Cb 0.94 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.48 1xmq h GLU 76 CO 0.00 0.44 0.53 0.00 -1.18 0.00 0.00 179.01 178.81 1xmq h ARG 77 N -1.00 0.35 0.88 1.92 3.08 -1.21 -0.43 114.38 117.98 1xmq h ARG 77 Ca -0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1xmq h ARG 77 Cb 0.49 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1xmq h ARG 77 CO -0.01 0.23 -0.42 -0.92 -1.07 0.00 0.00 179.97 177.78 1xmq h TYR 78 N 0.37 -1.10 -1.08 3.04 3.20 -1.51 0.31 116.97 120.21 1xmq h TYR 78 Ca 0.40 -0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.53 1xmq h TYR 78 Cb 1.00 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 39.56 1xmq h TYR 78 CO -0.00 -0.68 0.73 0.00 -1.64 0.00 0.00 178.16 176.57 1xmq h ARG 79 N -1.31 0.21 0.04 1.82 3.08 -0.84 -1.29 114.38 116.08 1xmq h ARG 79 Ca -0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1xmq h ARG 79 Cb 0.91 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1xmq h ARG 79 CO 0.20 0.14 -0.02 0.00 -1.07 0.00 0.00 179.97 179.22 1xmq h ALA 80 N 1.54 -0.05 -0.74 0.04 0.00 -0.72 -2.72 119.26 116.61 1xmq h ALA 80 Ca 0.57 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1xmq h ALA 80 Cb 1.79 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.50 1xmq h ALA 80 CO -0.17 -0.13 0.24 1.25 0.00 0.00 0.00 179.25 180.44 1xmq h LEU 81 N -0.84 0.14 0.13 0.00 6.46 0.75 0.23 115.31 122.18 1xmq h LEU 81 Ca -0.01 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1xmq h LEU 81 Cb 0.69 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1xmq h LEU 81 CO 0.01 0.02 -0.06 0.40 -0.62 0.00 0.00 178.44 178.19 1xmq h ILE 82 N 0.35 0.99 -0.46 4.05 2.04 -1.52 -1.74 117.51 121.22 1xmq h ILE 82 Ca 0.42 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1xmq h ILE 82 Cb 0.68 1.34 -0.10 0.00 -0.74 0.00 0.00 36.82 38.00 1xmq h ILE 82 CO -0.46 0.13 -0.21 -0.08 0.00 0.00 0.00 178.15 177.53 1xmq h GLU 83 N -0.44 -0.11 -0.51 2.37 4.81 -0.87 -1.88 114.58 117.95 1xmq h GLU 83 Ca -0.02 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xmq h GLU 83 Cb 0.35 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1xmq h GLU 83 CO 0.03 -0.07 0.10 -0.22 -0.73 0.00 0.00 179.01 178.12 1xmq h LYS 84 N -0.11 0.79 0.00 1.92 3.64 -0.56 -3.39 116.57 118.87 1xmq h LYS 84 Ca 0.22 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xmq h LYS 84 Cb 0.45 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xmq h LYS 84 CO -0.53 0.73 0.00 1.28 -2.27 0.00 0.00 179.45 178.66 1xmq n LEU 85 N -4.27 0.42 0.00 5.20 4.77 -0.66 -5.02 117.00 117.44 1xmq n LEU 85 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1xmq n LEU 85 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1xmq n LEU 85 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1xmq n GLY 86 N 2.85 -0.03 3.55 -0.72 0.00 -0.83 -5.09 105.19 104.93 1xmq n GLY 86 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xmq n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xmq n ILE 87 N 0.00 0.21 -1.42 -0.61 5.41 -1.25 -4.73 119.36 116.96 1xmq n ILE 87 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1xmq n ILE 87 Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 1xmq n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xmq n ARG 88 N -2.89 -1.70 0.00 0.38 5.12 -1.26 -4.88 116.66 111.42 1xmq n ARG 88 Ca 0.10 1.57 0.00 0.00 -1.93 0.00 0.00 57.85 57.59 1xmq n ARG 88 Cb 0.53 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1xmq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11