#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmq s LEU 3 N 0.00 4.08 0.39 1.20 2.96 -1.25 -3.02 118.68 123.03 1dmq s LEU 3 Ca 0.00 2.26 -0.27 0.00 -0.22 0.00 0.00 54.13 55.90 1dmq s LEU 3 Cb 0.00 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.06 1dmq s LEU 3 CO 0.00 -1.31 1.28 -0.81 -1.32 0.00 0.00 176.35 174.19 1dmq n PRO 4 N 7.83 2.03 -1.70 0.98 -0.04 -1.26 -4.96 135.00 137.88 1dmq n PRO 4 Ca 0.22 0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 64.10 1dmq n PRO 4 Cb 0.43 -2.36 0.18 0.00 -0.04 0.00 0.00 33.50 31.71 1dmq n PRO 4 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1dmq s THR 5 N -1.15 1.91 0.31 0.52 -4.23 -1.26 -4.15 115.64 107.59 1dmq s THR 5 Ca 0.58 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1dmq s THR 5 Cb -0.53 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 70.74 1dmq s THR 5 CO 0.60 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.55 1dmq h ALA 6 N -1.77 1.61 0.00 3.99 0.00 -1.91 -0.47 119.26 120.71 1dmq h ALA 6 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1dmq h ALA 6 Cb 1.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1dmq h ALA 6 CO 0.43 0.18 -0.58 1.96 0.00 0.00 0.00 179.25 181.24 1dmq h GLN 7 N 0.92 0.00 0.06 0.00 4.20 -1.92 -2.76 115.11 115.60 1dmq h GLN 7 Ca 0.45 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.89 1dmq h GLN 7 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1dmq h GLN 7 CO -0.21 0.58 -1.10 0.93 -0.67 0.00 0.00 178.83 178.37 1dmq h GLU 8 N 0.00 0.51 -0.71 1.46 5.08 -1.61 -2.86 114.58 116.45 1dmq h GLU 8 Ca -0.01 -0.62 0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1dmq h GLU 8 Cb 1.09 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1dmq h GLU 8 CO 0.08 1.25 0.47 0.28 -1.00 0.00 0.00 179.01 180.08 1dmq h VAL 9 N 0.25 1.18 -0.74 3.13 2.07 -1.09 0.12 116.25 121.17 1dmq h VAL 9 Ca -0.13 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1dmq h VAL 9 Cb 1.76 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1dmq h VAL 9 CO 0.20 0.18 0.45 1.56 0.02 0.00 0.00 177.57 179.97 1dmq h GLN 10 N 0.96 1.00 -0.50 1.57 4.20 -1.49 -1.72 115.11 119.14 1dmq h GLN 10 Ca 0.26 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1dmq h GLN 10 Cb -0.11 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 1dmq h GLN 10 CO -0.06 0.71 -0.18 0.78 -0.67 0.00 0.00 178.83 179.41 1dmq h GLY 11 N 1.01 1.10 0.89 3.46 0.00 -1.08 -2.38 103.07 106.07 1dmq h GLY 11 Ca 0.27 -0.95 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1dmq h GLY 11 CO -0.05 0.86 0.07 1.41 0.00 0.00 0.00 176.54 178.84 1dmq h LEU 12 N 0.88 0.44 -1.03 3.11 3.38 -0.43 -1.89 115.31 119.77 1dmq h LEU 12 Ca 0.12 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1dmq h LEU 12 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1dmq h LEU 12 CO 0.06 0.55 -0.28 0.24 0.09 0.00 0.00 178.44 179.11 1dmq h MET 13 N 0.30 0.36 -0.44 1.13 2.86 -1.36 -0.60 114.93 117.17 1dmq h MET 13 Ca 0.09 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1dmq h MET 13 Cb 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1dmq h MET 13 CO 0.00 0.61 -0.13 0.00 1.06 0.00 0.00 176.91 178.45 1dmq h ALA 14 N 1.40 0.61 -0.75 6.32 0.00 -1.32 -2.76 119.26 122.77 1dmq h ALA 14 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1dmq h ALA 14 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dmq h ALA 14 CO 0.05 0.52 0.40 -0.09 0.00 0.00 0.00 179.25 180.13 1dmq h ARG 15 N 0.70 1.05 -0.44 0.00 2.43 -0.99 -2.04 114.38 115.10 1dmq h ARG 15 Ca 0.11 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1dmq h ARG 15 Cb 0.68 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1dmq h ARG 15 CO 0.05 0.79 0.04 -0.92 -1.51 0.00 0.00 179.97 178.42 1dmq h TYR 16 N 1.04 0.05 0.00 2.20 3.20 -0.84 -0.04 116.97 122.58 1dmq h TYR 16 Ca 0.26 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1dmq h TYR 16 Cb 0.06 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1dmq h TYR 16 CO 0.00 -0.05 -0.25 0.82 -1.64 0.00 0.00 178.16 177.04 1dmq h ILE 17 N 0.15 1.07 -0.11 1.81 1.08 -1.22 -1.61 117.51 118.68 1dmq h ILE 17 Ca 0.22 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1dmq h ILE 17 Cb 0.30 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1dmq h ILE 17 CO -0.33 0.25 0.02 -0.08 -0.69 0.00 0.00 178.15 177.32 1dmq h GLU 18 N 0.00 0.19 -0.70 2.37 4.57 -0.45 -1.18 114.58 119.37 1dmq h GLU 18 Ca -0.00 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1dmq h GLU 18 Cb 0.48 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1dmq h GLU 18 CO 0.03 0.37 0.22 -0.07 -1.18 0.00 0.00 179.01 178.38 1dmq h LEU 19 N -0.03 1.02 -0.56 1.64 3.38 -0.63 -2.03 115.31 118.10 1dmq h LEU 19 Ca 0.04 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1dmq h LEU 19 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1dmq h LEU 19 CO 0.00 0.96 -0.22 0.58 0.09 0.00 0.00 178.44 179.85 1dmq h VAL 20 N 1.03 1.27 -0.12 1.22 2.07 -1.24 -0.15 116.25 120.32 1dmq h VAL 20 Ca 0.23 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1dmq h VAL 20 Cb 0.30 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1dmq h VAL 20 CO -0.01 0.47 0.08 -0.78 0.02 0.00 0.00 177.57 177.35 1dmq h ASP 21 N 0.80 0.13 0.95 0.57 3.58 -0.99 -2.68 116.42 118.79 1dmq h ASP 21 Ca 0.10 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 1dmq h ASP 21 Cb 0.78 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1dmq h ASP 21 CO 0.06 0.10 -0.47 -0.37 -2.88 0.00 0.00 179.24 175.68 1dmq h VAL 22 N 0.16 1.00 0.00 2.25 -1.51 -1.31 -3.42 116.25 113.41 1dmq h VAL 22 Ca 0.05 -1.85 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 1dmq h VAL 22 Cb -0.02 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1dmq h VAL 22 CO -0.01 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 1dmq n GLY 23 N 0.50 0.90 3.52 5.19 0.00 -0.13 -5.00 105.19 110.17 1dmq n GLY 23 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1dmq n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dmq s ASP 24 N -2.57 6.57 0.24 1.61 -1.08 -0.84 -4.83 116.67 115.76 1dmq s ASP 24 Ca 0.00 -1.73 -0.07 0.00 -0.52 0.00 0.00 52.55 50.23 1dmq s ASP 24 Cb 0.00 -2.50 0.23 0.00 -1.46 0.00 0.00 42.92 39.18 1dmq s ASP 24 CO 0.00 -1.32 1.90 0.40 0.52 0.00 0.00 175.17 176.67 1dmq h ILE 25 N 6.37 1.25 -0.49 4.11 2.04 -1.94 -1.22 117.51 127.61 1dmq h ILE 25 Ca 0.19 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1dmq h ILE 25 Cb 1.01 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1dmq h ILE 25 CO 1.31 0.24 -0.05 -0.33 0.00 0.00 0.00 178.15 179.33 1dmq h GLU 26 N 1.27 0.90 -0.09 2.37 5.08 -1.99 -1.27 114.58 120.84 1dmq h GLU 26 Ca 0.34 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1dmq h GLU 26 Cb -0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1dmq h GLU 26 CO -0.07 0.96 -0.40 0.00 -1.00 0.00 0.00 179.01 178.49 1dmq h ALA 27 N 0.91 1.15 0.08 3.43 0.00 -1.91 -2.79 119.26 120.13 1dmq h ALA 27 Ca 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1dmq h ALA 27 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dmq h ALA 27 CO 0.03 0.57 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 1dmq h ILE 28 N 0.17 1.15 -0.56 0.00 2.04 -0.92 -3.16 117.51 116.22 1dmq h ILE 28 Ca 0.02 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.09 1dmq h ILE 28 Cb 0.79 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1dmq h ILE 28 CO 0.06 0.22 0.38 0.58 0.00 0.00 0.00 178.15 179.39 1dmq h VAL 29 N -0.52 0.87 0.00 1.67 2.07 -1.20 -1.24 116.25 117.89 1dmq h VAL 29 Ca -0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1dmq h VAL 29 Cb 0.44 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1dmq h VAL 29 CO 0.02 0.06 0.00 1.67 0.02 0.00 0.00 177.57 179.33 1dmq n GLN 30 N -4.46 0.17 0.22 1.57 -0.06 -1.06 -2.68 117.38 111.08 1dmq n GLN 30 Ca 0.09 0.28 0.12 0.00 -2.00 0.00 0.00 57.00 55.50 1dmq n GLN 30 Cb 0.40 -1.76 0.28 0.00 -4.06 0.00 0.00 30.24 25.10 1dmq n GLN 30 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 1dmq h MET 31 N 0.00 0.00 -6.84 3.69 2.86 -1.22 -3.46 114.93 109.97 1dmq h MET 31 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1dmq h MET 31 Cb 0.49 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1dmq h MET 31 CO 0.00 0.05 0.10 -0.06 1.06 0.00 0.00 176.91 178.06 1dmq s PHE 32 N -3.30 3.49 0.59 -0.22 0.40 -1.09 -1.13 117.98 116.72 1dmq s PHE 32 Ca 0.05 0.96 -0.16 0.00 -0.60 0.00 0.00 56.93 57.18 1dmq s PHE 32 Cb 0.06 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1dmq s PHE 32 CO 0.65 -0.13 1.05 0.00 0.70 0.00 0.00 175.22 177.49 1dmq s ALA 33 N -2.44 2.76 0.57 5.36 0.00 -0.27 -4.76 121.76 122.99 1dmq s ALA 33 Ca 0.50 0.37 0.27 0.00 0.00 0.00 0.00 51.96 53.09 1dmq s ALA 33 Cb -0.10 -3.22 1.63 0.00 0.00 0.00 0.00 23.12 21.42 1dmq s ALA 33 CO 0.35 -0.79 2.16 0.38 0.00 0.00 0.00 175.76 177.86 1dmq h ASP 34 N 0.43 0.00 -0.16 0.00 2.03 -1.94 -2.38 116.42 114.40 1dmq h ASP 34 Ca -0.47 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.77 1dmq h ASP 34 Cb 1.22 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 1dmq h ASP 34 CO 0.58 0.00 -0.16 -0.90 -1.03 0.00 0.00 179.24 177.73 1dmq n ASP 35 N -3.99 2.50 -4.75 4.15 5.75 -1.26 -1.76 116.55 117.19 1dmq n ASP 35 Ca -0.00 -3.51 -0.31 0.00 -0.01 0.00 0.00 54.79 50.95 1dmq n ASP 35 Cb 0.22 -0.54 0.10 0.00 -1.03 0.00 0.00 41.12 39.87 1dmq n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dmq s ALA 36 N -3.09 2.11 0.06 2.12 0.00 -0.90 -4.35 121.76 117.72 1dmq s ALA 36 Ca 0.40 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.82 1dmq s ALA 36 Cb 0.36 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1dmq s ALA 36 CO 0.00 -1.94 -0.25 0.95 0.00 0.00 0.00 175.76 174.53 1dmq s THR 37 N -2.78 2.01 -0.05 0.00 -4.23 -0.91 -0.84 115.64 108.85 1dmq s THR 37 Ca 0.63 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1dmq s THR 37 Cb -0.19 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1dmq s THR 37 CO 0.55 0.24 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.03 1dmq s VAL 38 N -0.88 1.28 -0.31 2.29 1.01 -0.11 -1.94 120.40 121.75 1dmq s VAL 38 Ca 0.11 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1dmq s VAL 38 Cb -0.10 -1.12 0.09 0.00 0.00 0.00 0.00 36.38 35.25 1dmq s VAL 38 CO 0.03 0.38 0.03 -1.61 0.00 0.00 0.00 175.10 173.93 1dmq s GLU 39 N 0.19 1.36 -0.21 2.72 2.02 -0.20 -1.02 118.70 123.56 1dmq s GLU 39 Ca -0.06 -1.47 -0.04 0.00 0.02 0.00 0.00 54.97 53.42 1dmq s GLU 39 Cb -0.12 -2.76 0.09 0.00 0.10 0.00 0.00 34.13 31.44 1dmq s GLU 39 CO 0.02 -0.86 0.21 0.34 0.02 0.00 0.00 175.26 174.99 1dmq s ASP 40 N 1.19 1.64 0.54 -0.19 -1.08 -1.26 -0.61 116.67 116.90 1dmq s ASP 40 Ca 0.06 -0.38 -0.15 0.00 -0.52 0.00 0.00 52.55 51.56 1dmq s ASP 40 Cb -0.19 0.28 -0.07 0.00 -1.46 0.00 0.00 42.92 41.49 1dmq s ASP 40 CO -0.12 -0.34 1.00 -2.16 0.52 0.00 0.00 175.17 174.07 1dmq s PRO 41 N 2.30 3.86 0.41 4.34 0.04 -1.26 -4.96 135.00 139.72 1dmq s PRO 41 Ca 0.07 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.74 1dmq s PRO 41 Cb -0.16 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1dmq s PRO 41 CO -0.15 -0.35 1.45 0.34 0.04 0.00 0.00 177.00 178.32 1dmq n PHE 42 N -1.89 2.81 0.00 0.56 7.35 0.11 -1.80 117.46 124.60 1dmq n PHE 42 Ca 0.06 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1dmq n PHE 42 Cb 0.54 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1dmq n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dmq n GLY 43 N 0.53 1.65 3.88 7.13 0.00 -1.26 -4.90 105.19 112.22 1dmq n GLY 43 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1dmq n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dmq s GLN 44 N -0.03 3.75 0.42 1.61 2.00 -0.75 -5.05 119.66 121.62 1dmq s GLN 44 Ca 0.00 0.30 -0.25 0.00 -2.00 0.00 0.00 55.36 53.40 1dmq s GLN 44 Cb 0.00 -2.52 -0.08 0.00 0.80 0.00 0.00 33.01 31.21 1dmq s GLN 44 CO 0.00 0.12 1.28 -1.25 -0.50 0.00 0.00 175.29 174.94 1dmq s PRO 45 N -3.52 3.89 0.86 1.67 0.04 -1.26 -4.77 135.00 131.91 1dmq s PRO 45 Ca 0.48 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 1dmq s PRO 45 Cb -0.11 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 31.87 1dmq s PRO 45 CO 0.28 -0.54 1.10 -1.25 0.04 0.00 0.00 177.00 176.63 1dmq s PRO 46 N -2.34 1.53 -0.05 0.56 0.04 -1.26 -4.82 135.00 128.66 1dmq s PRO 46 Ca 0.59 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1dmq s PRO 46 Cb -0.36 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1dmq s PRO 46 CO 0.46 -2.13 -0.14 0.96 0.04 0.00 0.00 177.00 176.19 1dmq s ILE 47 N -2.84 3.09 0.00 0.56 -4.36 -0.19 -4.91 121.20 112.55 1dmq s ILE 47 Ca 0.63 -0.71 0.08 0.00 -0.26 0.00 0.00 60.65 60.39 1dmq s ILE 47 Cb -0.19 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 1dmq s ILE 47 CO 0.57 0.59 -0.25 -2.28 0.24 0.00 0.00 174.94 173.81 1dmq s HIS 48 N -0.68 2.23 0.00 1.37 2.46 -1.26 -0.93 115.29 118.47 1dmq s HIS 48 Ca 0.10 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.22 1dmq s HIS 48 Cb -0.11 -1.40 0.00 0.00 -0.13 0.00 0.00 32.58 30.94 1dmq s HIS 48 CO 0.01 0.01 0.00 0.41 -2.47 0.00 0.00 174.74 172.70 1dmq n GLY 49 N 2.26 -2.43 0.37 1.59 0.00 -0.02 -4.23 105.19 102.74 1dmq n GLY 49 Ca -0.16 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.61 1dmq n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dmq h ARG 50 N 0.00 0.77 0.30 1.61 3.08 -1.57 -1.69 114.38 116.88 1dmq h ARG 50 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1dmq h ARG 50 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1dmq h ARG 50 CO 0.00 0.51 -0.23 1.49 -1.07 0.00 0.00 179.97 180.67 1dmq h GLU 51 N 0.80 -0.51 -0.18 0.04 4.81 -1.87 0.36 114.58 118.03 1dmq h GLU 51 Ca 0.46 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.69 1dmq h GLU 51 Cb 0.62 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1dmq h GLU 51 CO -0.22 -0.34 -0.04 1.96 -0.73 0.00 0.00 179.01 179.64 1dmq h GLN 52 N -0.53 0.26 -0.09 1.92 4.20 -1.62 -2.15 115.11 117.10 1dmq h GLN 52 Ca -0.02 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1dmq h GLN 52 Cb 0.47 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1dmq h GLN 52 CO -0.01 0.32 -0.77 0.82 -0.67 0.00 0.00 178.83 178.52 1dmq h ILE 53 N 0.26 1.35 -0.34 2.54 2.04 -0.76 -1.31 117.51 121.29 1dmq h ILE 53 Ca 0.06 -2.12 -0.13 0.00 1.00 0.00 0.00 64.86 63.67 1dmq h ILE 53 Cb 0.24 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1dmq h ILE 53 CO 0.01 0.65 -0.33 0.00 0.00 0.00 0.00 178.15 178.48 1dmq h ALA 54 N 0.78 0.78 -0.57 1.87 0.00 0.03 -1.70 119.26 120.46 1dmq h ALA 54 Ca -0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1dmq h ALA 54 Cb 1.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1dmq h ALA 54 CO 0.14 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 180.01 1dmq h ALA 55 N 1.00 0.86 -0.41 0.00 0.00 -1.29 -1.66 119.26 117.75 1dmq h ALA 55 Ca 0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1dmq h ALA 55 Cb 0.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1dmq h ALA 55 CO 0.08 0.66 0.26 0.35 0.00 0.00 0.00 179.25 180.59 1dmq h PHE 56 N 0.93 0.54 0.00 0.00 3.57 -0.98 -2.42 116.94 118.57 1dmq h PHE 56 Ca 0.16 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1dmq h PHE 56 Cb 0.58 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1dmq h PHE 56 CO 0.04 0.37 -0.51 1.88 -2.23 0.00 0.00 178.31 177.85 1dmq h TYR 57 N 0.55 0.00 -0.05 0.41 -1.99 -1.09 -2.47 116.97 112.34 1dmq h TYR 57 Ca 0.15 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.67 1dmq h TYR 57 Cb -0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1dmq h TYR 57 CO -0.04 0.51 -0.83 -0.09 -0.00 0.00 0.00 178.16 177.71 1dmq h ARG 58 N 0.00 0.44 -0.08 4.88 2.43 -1.19 1.00 114.38 121.86 1dmq h ARG 58 Ca -0.01 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1dmq h ARG 58 Cb 0.95 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1dmq h ARG 58 CO 0.07 1.06 0.02 0.37 -1.51 0.00 0.00 179.97 179.97 1dmq h GLN 59 N 0.28 0.14 0.01 0.20 5.75 -1.36 -3.27 115.11 116.86 1dmq h GLN 59 Ca -0.06 -0.04 -0.26 0.00 -0.15 0.00 0.00 58.65 58.15 1dmq h GLN 59 Cb 1.44 -0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.99 1dmq h GLN 59 CO 0.15 0.34 -1.03 0.78 -2.65 0.00 0.00 178.83 176.42 1dmq h GLY 60 N -0.09 0.68 -6.42 2.39 0.00 -1.46 -3.52 103.07 94.65 1dmq h GLY 60 Ca 0.03 -1.21 -0.60 0.00 0.00 0.00 0.00 47.33 45.54 1dmq h GLY 60 CO 0.00 1.07 -0.44 1.08 0.00 0.00 0.00 176.54 178.25 1dmq s LEU 61 N -7.97 4.19 0.00 3.11 1.02 0.34 -5.00 118.68 114.37 1dmq s LEU 61 Ca -0.09 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.34 1dmq s LEU 61 Cb 0.07 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 44.10 1dmq s LEU 61 CO 0.91 0.11 0.20 1.17 0.02 0.00 0.00 176.35 178.76 1dmq n LYS 65 N 3.81 0.00 -4.04 1.70 4.81 -1.26 -5.01 118.16 118.17 1dmq n LYS 65 Ca -0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.13 1dmq n LYS 65 Cb 0.52 -0.30 -0.15 0.00 0.02 0.00 0.00 35.03 35.12 1dmq n LYS 65 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1dmq s VAL 66 N 0.58 0.30 -0.03 3.15 1.01 -1.26 -4.32 120.40 119.83 1dmq s VAL 66 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1dmq s VAL 66 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1dmq s VAL 66 CO 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 175.10 175.13 1dmq s ARG 67 N 0.55 1.14 0.02 2.72 1.70 -0.85 -4.74 118.95 119.47 1dmq s ARG 67 Ca -0.06 -0.37 0.08 0.00 -0.47 0.00 0.00 55.73 54.91 1dmq s ARG 67 Cb -0.09 -1.04 -0.02 0.00 -0.57 0.00 0.00 34.95 33.23 1dmq s ARG 67 CO -0.01 0.14 -0.23 0.00 -1.08 0.00 0.00 175.30 174.12 1dmq s ALA 68 N 0.16 1.97 -0.05 7.88 0.00 -1.26 -0.44 121.76 130.02 1dmq s ALA 68 Ca -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1dmq s ALA 68 Cb -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1dmq s ALA 68 CO 0.01 0.47 0.13 0.00 0.00 0.00 0.00 175.76 176.36 1dmq s LEU 70 N 0.22 4.37 -0.02 0.00 1.43 -1.26 -1.19 118.68 122.22 1dmq s LEU 70 Ca -0.01 2.57 0.16 0.00 -1.03 0.00 0.00 54.13 55.81 1dmq s LEU 70 Cb -0.02 -3.59 0.47 0.00 0.03 0.00 0.00 46.19 43.07 1dmq s LEU 70 CO -0.01 -0.79 1.39 0.35 0.23 0.00 0.00 176.35 177.52 1dmq n THR 71 N 3.91 1.16 -3.60 5.49 -2.24 -0.42 -4.90 114.28 113.67 1dmq n THR 71 Ca 0.13 -1.07 0.01 0.00 -2.27 0.00 0.00 64.05 60.85 1dmq n THR 71 Cb 0.39 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1dmq n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dmq s GLY 72 N -1.05 -0.41 0.71 3.38 0.00 -1.25 -4.96 107.32 103.75 1dmq s GLY 72 Ca 0.35 0.90 -0.13 0.00 0.00 0.00 0.00 44.72 45.84 1dmq s GLY 72 CO 0.22 0.20 1.12 2.56 0.00 0.00 0.00 173.10 177.20 1dmq s PRO 73 N -2.33 2.48 -0.05 2.90 0.04 -1.26 -4.56 135.00 132.23 1dmq s PRO 73 Ca 0.14 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1dmq s PRO 73 Cb 0.05 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1dmq s PRO 73 CO -0.04 -1.50 1.03 0.08 0.04 0.00 0.00 177.00 176.61 1dmq s VAL 74 N -2.47 4.72 -0.17 -0.36 1.01 -1.26 -4.45 120.40 117.42 1dmq s VAL 74 Ca 0.66 1.97 -0.18 0.00 0.00 0.00 0.00 61.98 64.43 1dmq s VAL 74 Cb -0.21 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1dmq s VAL 74 CO 0.47 0.07 0.49 -0.13 0.00 0.00 0.00 175.10 176.00 1dmq s ARG 75 N 1.60 4.25 0.06 2.72 3.00 0.34 -4.92 118.95 126.01 1dmq s ARG 75 Ca 0.51 0.42 0.06 0.00 0.00 0.00 0.00 55.73 56.71 1dmq s ARG 75 Cb -0.21 -3.51 -0.03 0.00 0.00 0.00 0.00 34.95 31.21 1dmq s ARG 75 CO 0.23 -0.02 -0.15 0.00 0.00 0.00 0.00 175.30 175.35 1dmq s ALA 76 N 1.21 1.27 0.28 2.13 0.00 -1.26 -0.44 121.76 124.96 1dmq s ALA 76 Ca 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1dmq s ALA 76 Cb -0.15 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1dmq s ALA 76 CO 0.10 0.22 0.21 -1.13 0.00 0.00 0.00 175.76 175.16 1dmq n SER 77 N 1.46 1.88 -0.86 0.00 3.41 -0.22 -4.97 113.62 114.33 1dmq n SER 77 Ca -0.20 -1.96 0.12 0.00 -0.26 0.00 0.00 58.87 56.57 1dmq n SER 77 Cb 0.54 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.69 1dmq n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dmq n HIS 78 N -1.17 0.07 -1.45 7.33 8.25 -1.26 -3.81 115.22 123.17 1dmq n HIS 78 Ca -0.01 -0.03 -0.07 0.00 -0.26 0.00 0.00 57.72 57.35 1dmq n HIS 78 Cb 0.32 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.62 1dmq n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1dmq n ASN 79 N 1.05 2.64 -0.39 0.41 2.04 -1.26 -4.91 115.26 114.85 1dmq n ASN 79 Ca 0.16 -3.78 -0.05 0.00 -0.44 0.00 0.00 54.58 50.47 1dmq n ASN 79 Cb 0.53 -0.66 -0.02 0.00 -2.53 0.00 0.00 39.78 37.11 1dmq n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1dmq n GLY 80 N -1.12 0.65 3.50 4.83 0.00 -1.26 -4.86 105.19 106.92 1dmq n GLY 80 Ca 0.37 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1dmq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmq s GLY 82 N -3.54 -0.36 -0.06 0.00 0.00 -0.68 -1.05 107.32 101.62 1dmq s GLY 82 Ca 0.31 0.20 -0.06 0.00 0.00 0.00 0.00 44.72 45.16 1dmq s GLY 82 CO 0.16 0.07 0.17 0.00 0.00 0.00 0.00 173.10 173.50 1dmq s ALA 83 N -3.70 -0.43 -0.02 3.20 0.00 0.42 -1.20 121.76 120.03 1dmq s ALA 83 Ca 0.06 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 1dmq s ALA 83 Cb -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1dmq s ALA 83 CO -0.03 -0.10 0.17 0.00 0.00 0.00 0.00 175.76 175.79 1dmq s MET 84 N -0.07 0.43 -0.11 0.00 0.23 -0.41 -0.50 119.30 118.87 1dmq s MET 84 Ca -0.02 -0.20 -0.10 0.00 -1.03 0.00 0.00 55.69 54.34 1dmq s MET 84 Cb -0.02 0.18 -0.05 0.00 -1.53 0.00 0.00 34.83 33.42 1dmq s MET 84 CO 0.00 -0.10 0.21 -1.25 -2.03 0.00 0.00 175.02 171.86 1dmq s PRO 85 N -0.98 3.74 0.19 3.16 0.04 -1.26 -2.09 135.00 137.80 1dmq s PRO 85 Ca -0.11 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.74 1dmq s PRO 85 Cb -0.06 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1dmq s PRO 85 CO 0.01 0.63 0.54 -0.59 0.04 0.00 0.00 177.00 177.63 1dmq s PHE 86 N -0.66 -0.16 -0.00 0.56 -0.12 -0.62 -1.31 117.98 115.68 1dmq s PHE 86 Ca 0.16 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.94 1dmq s PHE 86 Cb -0.13 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1dmq s PHE 86 CO 0.05 -0.92 -0.25 0.50 -0.05 0.00 0.00 175.22 174.55 1dmq s ARG 87 N -3.86 1.92 -0.07 1.99 3.52 -0.33 -0.87 118.95 121.24 1dmq s ARG 87 Ca 0.08 -0.94 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1dmq s ARG 87 Cb -0.01 -1.92 -0.02 0.00 -1.56 0.00 0.00 34.95 31.44 1dmq s ARG 87 CO -0.03 0.52 -0.16 0.08 -0.81 0.00 0.00 175.30 174.89 1dmq s VAL 88 N -0.64 2.89 -0.13 7.11 1.01 -0.04 -1.31 120.40 129.29 1dmq s VAL 88 Ca 0.10 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1dmq s VAL 88 Cb -0.10 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1dmq s VAL 88 CO -0.00 0.57 -0.22 -1.61 0.00 0.00 0.00 175.10 173.84 1dmq s GLU 89 N -0.42 2.99 0.00 2.72 2.02 0.41 -1.22 118.70 125.21 1dmq s GLU 89 Ca 0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1dmq s GLU 89 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1dmq s GLU 89 CO 0.02 0.03 0.00 0.00 0.02 0.00 0.00 175.26 175.33 1dmq n MET 90 N 3.94 0.56 -3.50 1.61 0.00 -0.18 -2.02 117.12 117.53 1dmq n MET 90 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.23 1dmq n MET 90 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.61 1dmq n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1dmq s VAL 91 N -1.57 -0.04 -0.28 3.17 1.01 -1.26 -1.12 120.40 120.31 1dmq s VAL 91 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 1dmq s VAL 91 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1dmq s VAL 91 CO 0.00 -0.79 0.88 0.86 0.00 0.00 0.00 175.10 176.05 1dmq s TRP 92 N 1.75 3.24 -1.40 5.22 -0.00 0.39 -4.32 118.94 123.81 1dmq s TRP 92 Ca 0.12 1.05 -0.12 0.00 -0.00 0.00 0.00 56.10 57.15 1dmq s TRP 92 Cb -0.18 -3.27 0.01 0.00 -0.00 0.00 0.00 33.47 30.03 1dmq s TRP 92 CO -0.23 -0.55 0.32 0.09 -0.00 0.00 0.00 176.95 176.58 1dmq n ASN 93 N 6.29 -1.17 0.00 5.86 5.03 -1.26 -0.89 115.26 129.13 1dmq n ASN 93 Ca 0.07 -1.23 0.00 0.00 0.87 0.00 0.00 54.58 54.28 1dmq n ASN 93 Cb 0.47 -1.92 0.00 0.00 -1.02 0.00 0.00 39.78 37.31 1dmq n ASN 93 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmq n GLY 94 N -2.30 2.19 3.65 7.41 0.00 -1.26 -4.99 105.19 109.89 1dmq n GLY 94 Ca -0.25 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1dmq n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dmq s GLN 95 N 0.00 4.20 0.17 1.61 0.74 -0.06 -5.00 119.66 121.31 1dmq s GLN 95 Ca 0.00 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.81 1dmq s GLN 95 Cb 0.00 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 1dmq s GLN 95 CO 0.00 -0.32 1.18 -1.25 -0.55 0.00 0.00 175.29 174.35 1dmq s PRO 96 N 2.18 4.50 0.14 1.67 0.04 -1.26 0.15 135.00 142.41 1dmq s PRO 96 Ca 0.30 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1dmq s PRO 96 Cb -0.16 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1dmq s PRO 96 CO 0.10 -0.08 0.08 0.00 0.04 0.00 0.00 177.00 177.14 1dmq s ALA 98 N -4.05 1.75 -0.04 0.00 0.00 -0.10 -1.01 121.76 118.31 1dmq s ALA 98 Ca 0.25 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1dmq s ALA 98 Cb 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1dmq s ALA 98 CO 0.02 0.30 0.02 -1.17 0.00 0.00 0.00 175.76 174.94 1dmq s LEU 99 N -2.05 0.77 -0.21 0.00 2.96 -0.35 -0.74 118.68 119.06 1dmq s LEU 99 Ca 0.07 0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.82 1dmq s LEU 99 Cb -0.09 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 1dmq s LEU 99 CO 0.04 -0.16 0.42 -1.81 -1.32 0.00 0.00 176.35 173.52 1dmq s ASP 100 N 1.50 6.44 0.10 3.68 1.01 -0.79 -0.86 116.67 127.75 1dmq s ASP 100 Ca -0.03 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.80 1dmq s ASP 100 Cb -0.13 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1dmq s ASP 100 CO -0.03 -0.11 -0.15 -0.69 0.21 0.00 0.00 175.17 174.40 1dmq s VAL 101 N 1.48 1.27 -0.14 -1.27 1.01 -0.05 -4.73 120.40 117.98 1dmq s VAL 101 Ca 0.19 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1dmq s VAL 101 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1dmq s VAL 101 CO 0.08 -0.30 -0.15 -0.63 0.00 0.00 0.00 175.10 174.11 1dmq s ILE 102 N -1.66 1.59 -0.16 2.22 1.01 -0.79 -1.58 121.20 121.83 1dmq s ILE 102 Ca 0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1dmq s ILE 102 Cb -0.08 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1dmq s ILE 102 CO 0.03 0.46 0.08 -1.81 0.00 0.00 0.00 174.94 173.70 1dmq s ASP 103 N 1.33 5.82 -0.15 3.58 1.11 -0.89 0.10 116.67 127.57 1dmq s ASP 103 Ca 0.02 0.19 0.01 0.00 0.18 0.00 0.00 52.55 52.95 1dmq s ASP 103 Cb -0.13 -1.93 -0.00 0.00 1.07 0.00 0.00 42.92 41.92 1dmq s ASP 103 CO -0.08 0.25 -0.17 -0.69 1.18 0.00 0.00 175.17 175.66 1dmq s VAL 104 N -0.10 2.53 0.07 -1.27 1.01 -0.24 -1.28 120.40 121.11 1dmq s VAL 104 Ca 0.08 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1dmq s VAL 104 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1dmq s VAL 104 CO 0.01 0.53 -0.16 -0.04 0.00 0.00 0.00 175.10 175.44 1dmq s MET 105 N 0.75 0.93 -0.11 2.72 -1.94 -0.34 -1.41 119.30 119.90 1dmq s MET 105 Ca -0.07 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 52.98 1dmq s MET 105 Cb -0.16 -0.99 0.01 0.00 2.01 0.00 0.00 34.83 35.70 1dmq s MET 105 CO 0.01 0.23 -0.18 0.50 -0.01 0.00 0.00 175.02 175.56 1dmq s ARG 106 N -1.62 2.50 0.12 2.03 3.52 -0.52 -1.69 118.95 123.29 1dmq s ARG 106 Ca 0.01 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1dmq s ARG 106 Cb -0.09 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 1dmq s ARG 106 CO 0.02 0.02 0.30 -0.06 -0.81 0.00 0.00 175.30 174.77 1dmq s PHE 107 N 0.75 3.50 0.56 5.12 0.40 0.20 -0.17 117.98 128.33 1dmq s PHE 107 Ca -0.11 0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1dmq s PHE 107 Cb -0.16 -1.83 0.11 0.00 0.51 0.00 0.00 43.02 41.65 1dmq s PHE 107 CO 0.02 0.50 0.78 -0.40 0.70 0.00 0.00 175.22 176.81 1dmq n ASP 108 N -0.07 1.39 -0.11 1.36 3.85 0.49 -4.80 116.55 118.66 1dmq n ASP 108 Ca -0.04 -2.09 0.00 0.00 -0.71 0.00 0.00 54.79 51.94 1dmq n ASP 108 Cb 0.52 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 1dmq n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1dmq n GLU 109 N -2.36 0.26 0.00 0.11 0.00 -1.26 -1.10 120.64 116.29 1dmq n GLU 109 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1dmq n GLU 109 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.91 1dmq n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1dmq n HIS 110 N -0.30 0.00 -1.67 -1.84 8.25 -1.26 -3.58 115.22 114.82 1dmq n HIS 110 Ca 0.00 -0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.16 1dmq n HIS 110 Cb 0.01 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1dmq n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dmq n GLY 111 N -0.22 0.55 3.61 -1.41 0.00 -0.26 -4.65 105.19 102.83 1dmq n GLY 111 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 1dmq n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dmq s ARG 112 N -3.50 2.56 -0.07 1.61 0.52 -1.26 -4.87 118.95 113.95 1dmq s ARG 112 Ca 0.00 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 1dmq s ARG 112 Cb 0.00 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 1dmq s ARG 112 CO 0.00 0.60 1.67 0.42 0.02 0.00 0.00 175.30 178.01 1dmq s ILE 113 N -1.04 3.57 -0.18 1.52 1.01 -0.28 -0.38 121.20 125.41 1dmq s ILE 113 Ca 0.18 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1dmq s ILE 113 Cb -0.11 -3.46 -0.22 0.00 0.01 0.00 0.00 42.46 38.68 1dmq s ILE 113 CO 0.09 -0.09 0.10 1.67 0.00 0.00 0.00 174.94 176.72 1dmq n GLN 114 N 7.24 0.69 -3.90 2.79 7.27 0.75 -1.11 117.38 131.12 1dmq n GLN 114 Ca 0.18 0.19 -0.11 0.00 0.07 0.00 0.00 57.00 57.32 1dmq n GLN 114 Cb 0.43 -1.61 -0.13 0.00 2.41 0.00 0.00 30.24 31.33 1dmq n GLN 114 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1dmq s THR 115 N -2.54 0.03 -0.04 1.69 -1.32 -1.03 -2.13 115.64 110.30 1dmq s THR 115 Ca -0.25 -0.19 -0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1dmq s THR 115 Cb 0.08 -0.07 0.03 0.00 -1.51 0.00 0.00 72.50 71.02 1dmq s THR 115 CO 0.71 -0.10 0.09 -0.32 -2.21 0.00 0.00 174.62 172.79 1dmq s MET 116 N -0.30 0.06 -0.05 7.08 1.75 -0.82 -1.44 119.30 125.59 1dmq s MET 116 Ca -0.03 0.23 0.02 0.00 -1.25 0.00 0.00 55.69 54.66 1dmq s MET 116 Cb -0.02 -0.11 0.01 0.00 2.84 0.00 0.00 34.83 37.55 1dmq s MET 116 CO -0.00 -0.11 -0.10 -0.65 -0.65 0.00 0.00 175.02 173.51 1dmq s GLN 117 N 0.73 1.28 -0.18 4.11 -0.21 -0.50 -1.03 119.66 123.86 1dmq s GLN 117 Ca -0.06 -0.32 -0.02 0.00 0.02 0.00 0.00 55.36 54.98 1dmq s GLN 117 Cb -0.08 -1.13 -0.01 0.00 1.00 0.00 0.00 33.01 32.80 1dmq s GLN 117 CO -0.03 0.05 -0.09 0.00 -2.12 0.00 0.00 175.29 173.09 1dmq s ALA 118 N 0.52 2.70 -0.29 6.09 0.00 0.22 -1.08 121.76 129.93 1dmq s ALA 118 Ca -0.10 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 1dmq s ALA 118 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1dmq s ALA 118 CO 0.02 -0.11 0.24 0.71 0.00 0.00 0.00 175.76 176.62 1dmq s TYR 119 N 0.94 3.23 0.00 0.00 1.51 0.11 0.09 117.35 123.23 1dmq s TYR 119 Ca -0.02 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.16 1dmq s TYR 119 Cb -0.15 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1dmq s TYR 119 CO -0.00 -0.22 0.00 -2.67 -1.11 0.00 0.00 175.55 171.55 1dmq n TRP 120 N 5.14 0.00 -3.34 2.71 4.27 -1.26 -1.88 117.44 123.07 1dmq n TRP 120 Ca -0.12 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.45 1dmq n TRP 120 Cb 0.51 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.47 1dmq n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1dmq n SER 121 N 0.00 -0.73 0.23 -0.67 3.41 -1.26 -4.70 113.62 109.90 1dmq n SER 121 Ca 0.00 -1.56 0.16 0.00 -0.26 0.00 0.00 58.87 57.21 1dmq n SER 121 Cb 0.00 1.23 0.84 0.00 -0.26 0.00 0.00 64.21 66.01 1dmq n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dmq h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.01 -1.04 114.58 118.93 1dmq h GLU 122 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1dmq h GLU 122 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1dmq h GLU 122 CO 0.14 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 179.08 1dmq n VAL 123 N -2.58 0.78 -0.19 3.13 0.24 -1.26 -2.73 118.33 115.72 1dmq n VAL 123 Ca -0.02 0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 1dmq n VAL 123 Cb 0.05 -1.02 0.18 0.00 -1.47 0.00 0.00 33.84 31.58 1dmq n VAL 123 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1dmq n ASN 124 N -2.12 3.10 -4.79 -1.34 4.13 -0.40 -4.95 115.26 108.89 1dmq n ASN 124 Ca 0.03 -1.99 -0.36 0.00 1.68 0.00 0.00 54.58 53.95 1dmq n ASN 124 Cb 0.26 -0.27 -0.07 0.00 -1.54 0.00 0.00 39.78 38.15 1dmq n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1dmq s LEU 125 N -1.00 4.25 -0.32 3.41 0.20 -1.11 -1.89 118.68 122.21 1dmq s LEU 125 Ca 0.28 0.33 0.02 0.00 0.69 0.00 0.00 54.13 55.45 1dmq s LEU 125 Cb 0.15 -2.07 0.10 0.00 -0.43 0.00 0.00 46.19 43.94 1dmq s LEU 125 CO 0.19 0.29 0.07 -0.44 -0.29 0.00 0.00 176.35 176.17 1dmq s SER 126 N -0.31 4.44 0.00 3.68 0.01 0.09 -4.99 113.70 116.61 1dmq s SER 126 Ca 0.11 -1.92 0.27 0.00 1.31 0.00 0.00 55.95 55.72 1dmq s SER 126 Cb -0.12 -1.30 0.75 0.00 0.21 0.00 0.00 66.02 65.57 1dmq s SER 126 CO 0.01 -0.39 1.58 0.55 0.41 0.00 0.00 173.24 175.40