#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmq s SER 2 N 0.00 6.40 -1.62 1.61 0.15 -1.26 -4.22 113.70 114.76 2dmq s SER 2 Ca 0.00 0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.96 2dmq s SER 2 Cb 0.00 -2.27 0.12 0.00 -1.71 0.00 0.00 66.02 62.17 2dmq s SER 2 CO 0.00 -0.27 0.89 -1.54 1.20 0.00 0.00 173.24 173.51 2dmq n SER 3 N 5.51 -4.11 -3.66 5.45 3.41 -1.26 -4.95 113.62 114.02 2dmq n SER 3 Ca -0.05 -0.89 -0.22 0.00 -0.26 0.00 0.00 58.87 57.45 2dmq n SER 3 Cb 0.50 -3.31 -0.18 0.00 -0.26 0.00 0.00 64.21 60.96 2dmq n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmq s GLY 4 N -3.28 0.29 1.08 5.00 0.00 -1.26 -5.14 107.32 104.01 2dmq s GLY 4 Ca 0.71 -0.02 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 2dmq s GLY 4 CO 0.88 1.47 -0.19 1.44 0.00 0.00 0.00 173.10 176.70 2dmq n SER 5 N 5.27 -2.54 -3.92 1.64 7.64 -1.26 -4.48 113.62 115.96 2dmq n SER 5 Ca -0.05 -0.04 -0.54 0.00 1.01 0.00 0.00 58.87 59.25 2dmq n SER 5 Cb 0.50 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.70 2dmq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmq n SER 6 N -0.76 0.59 -4.78 6.43 3.41 -1.26 -4.86 113.62 112.39 2dmq n SER 6 Ca 0.01 0.99 -0.37 0.00 -0.26 0.00 0.00 58.87 59.24 2dmq n SER 6 Cb 0.63 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2dmq n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmq s GLY 7 N 1.48 2.80 0.27 5.00 0.00 -1.26 -5.06 107.32 110.54 2dmq s GLY 7 Ca 0.84 0.55 0.05 0.00 0.00 0.00 0.00 44.72 46.17 2dmq s GLY 7 CO 0.60 1.00 0.40 0.54 0.00 0.00 0.00 173.10 175.65 2dmq s LYS 8 N -2.09 3.34 -0.82 2.90 3.01 -1.26 -5.06 119.74 119.75 2dmq s LYS 8 Ca 0.51 -0.82 -0.10 0.00 -1.01 0.00 0.00 55.97 54.54 2dmq s LYS 8 Cb -0.19 -2.86 0.21 0.00 -1.01 0.00 0.00 37.83 33.98 2dmq s LYS 8 CO 0.25 0.30 0.73 1.03 0.51 0.00 0.00 175.35 178.17 2dmq s ARG 9 N -4.05 3.42 0.10 1.68 3.00 -1.26 -5.03 118.95 116.81 2dmq s ARG 9 Ca 0.38 -2.62 0.09 0.00 0.00 0.00 0.00 55.73 53.58 2dmq s ARG 9 Cb -0.09 -4.26 -0.04 0.00 0.00 0.00 0.00 34.95 30.56 2dmq s ARG 9 CO 0.30 -1.26 -0.22 0.00 0.00 0.00 0.00 175.30 174.12 2dmq s MET 10 N -0.15 1.21 0.16 3.54 0.23 -1.26 -5.04 119.30 118.00 2dmq s MET 10 Ca 0.20 -1.19 0.16 0.00 -1.03 0.00 0.00 55.69 53.83 2dmq s MET 10 Cb -0.12 -1.52 -0.05 0.00 -1.53 0.00 0.00 34.83 31.60 2dmq s MET 10 CO -0.08 0.36 1.09 0.07 -2.03 0.00 0.00 175.02 174.43 2dmq h ARG 11 N 4.10 0.00 -5.94 3.16 0.11 -2.08 -3.41 114.38 110.32 2dmq h ARG 11 Ca -0.47 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 58.98 2dmq h ARG 11 Cb 1.18 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.17 2dmq h ARG 11 CO 0.40 0.38 1.88 0.95 0.10 0.00 0.00 179.97 183.67 2dmq s THR 12 N -2.95 4.01 -0.23 0.08 -4.23 -1.26 -4.95 115.64 106.11 2dmq s THR 12 Ca 0.00 -1.42 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2dmq s THR 12 Cb 0.08 -5.10 -0.02 0.00 1.34 0.00 0.00 72.50 68.79 2dmq s THR 12 CO 0.78 -1.94 1.62 -0.94 -0.54 0.00 0.00 174.62 173.60 2dmq s SER 13 N 4.66 6.36 0.25 3.99 1.04 -1.26 -5.00 113.70 123.73 2dmq s SER 13 Ca 0.52 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.54 2dmq s SER 13 Cb 0.02 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2dmq s SER 13 CO 0.01 -1.28 0.41 -0.36 0.98 0.00 0.00 173.24 173.00 2dmq s PHE 14 N 5.28 3.48 0.04 5.02 0.08 -1.26 -5.10 117.98 125.52 2dmq s PHE 14 Ca 0.71 0.19 -0.14 0.00 0.12 0.00 0.00 56.93 57.81 2dmq s PHE 14 Cb -0.24 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.40 2dmq s PHE 14 CO 0.29 0.35 0.45 0.15 -0.10 0.00 0.00 175.22 176.36 2dmq s LYS 15 N -3.80 3.94 0.20 0.44 -0.14 -1.26 -4.94 119.74 114.17 2dmq s LYS 15 Ca 0.37 0.43 0.13 0.00 -1.36 0.00 0.00 55.97 55.53 2dmq s LYS 15 Cb -0.10 -3.15 0.69 0.00 -1.68 0.00 0.00 37.83 33.59 2dmq s LYS 15 CO 0.31 0.64 1.36 1.58 -0.76 0.00 0.00 175.35 178.48 2dmq n HIS 16 N 1.54 0.43 -0.02 3.18 -0.00 -1.26 -1.75 115.22 117.33 2dmq n HIS 16 Ca -0.11 0.22 -0.00 0.00 0.46 0.00 0.00 57.72 58.29 2dmq n HIS 16 Cb 0.52 -0.82 -0.00 0.00 -0.12 0.00 0.00 29.99 29.57 2dmq n HIS 16 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dmq h HIS 17 N 0.00 0.00 -0.33 1.57 3.86 -2.00 -3.01 115.15 115.25 2dmq h HIS 17 Ca 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2dmq h HIS 17 Cb 0.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 2dmq h HIS 17 CO 0.00 0.00 0.03 -0.56 0.86 0.00 0.00 177.93 178.26 2dmq h GLN 18 N -0.37 0.13 -0.72 2.45 3.07 -1.82 -2.04 115.11 115.82 2dmq h GLN 18 Ca 0.00 -0.01 0.10 0.00 0.09 0.00 0.00 58.65 58.83 2dmq h GLN 18 Cb 0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 27.48 27.46 2dmq h GLN 18 CO 0.00 0.09 0.35 -0.07 0.09 0.00 0.00 178.83 179.29 2dmq h LEU 19 N 0.13 0.44 -1.04 0.06 3.38 -1.53 -1.08 115.31 115.67 2dmq h LEU 19 Ca 0.16 0.07 0.33 0.00 0.09 0.00 0.00 57.88 58.52 2dmq h LEU 19 Cb 0.20 -0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 2dmq h LEU 19 CO -0.24 0.24 0.59 -0.09 0.09 0.00 0.00 178.44 179.03 2dmq h ARG 20 N 0.58 0.30 -0.24 1.13 9.65 -1.22 0.58 114.38 125.17 2dmq h ARG 20 Ca 0.36 -0.02 -0.19 0.00 -1.10 0.00 0.00 59.98 59.04 2dmq h ARG 20 Cb 0.41 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2dmq h ARG 20 CO -0.29 0.20 -0.58 1.15 2.80 0.00 0.00 179.97 183.25 2dmq h THR 21 N 0.31 1.28 0.30 0.20 2.02 -1.21 -2.92 112.91 112.90 2dmq h THR 21 Ca 0.74 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 2dmq h THR 21 Cb 1.73 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2dmq h THR 21 CO -0.59 0.57 -0.15 0.24 0.37 0.00 0.00 175.52 175.97 2dmq h MET 22 N 0.57 -0.39 -0.97 6.66 2.86 0.09 -2.72 114.93 121.02 2dmq h MET 22 Ca -0.01 0.03 0.29 0.00 -2.06 0.00 0.00 59.70 57.95 2dmq h MET 22 Cb 1.20 0.09 -0.18 0.00 0.06 0.00 0.00 31.60 32.77 2dmq h MET 22 CO 0.13 -0.26 0.14 0.87 1.06 0.00 0.00 176.91 178.84 2dmq h LYS 23 N -0.72 0.03 -0.14 1.72 1.57 -0.40 0.57 116.57 119.21 2dmq h LYS 23 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dmq h LYS 23 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2dmq h LYS 23 CO 0.07 0.02 0.09 1.03 -0.57 0.00 0.00 179.45 180.09 2dmq h SER 24 N 0.03 0.16 -0.73 0.86 0.87 -1.57 -2.77 113.55 110.41 2dmq h SER 24 Ca 0.63 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.15 2dmq h SER 24 Cb 1.38 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 2dmq h SER 24 CO -0.86 0.12 0.31 0.22 -0.53 0.00 0.00 176.83 176.08 2dmq h TYR 25 N 0.19 1.09 -1.06 2.24 5.03 0.31 -2.70 116.97 122.07 2dmq h TYR 25 Ca 0.05 -0.07 0.37 0.00 2.58 0.00 0.00 58.73 61.66 2dmq h TYR 25 Cb -0.02 -0.33 -0.15 0.00 1.55 0.00 0.00 36.73 37.78 2dmq h TYR 25 CO -0.07 0.83 0.62 0.35 -1.32 0.00 0.00 178.16 178.57 2dmq h PHE 26 N 1.04 0.82 -0.35 -3.82 3.57 -0.36 0.89 116.94 118.74 2dmq h PHE 26 Ca 0.25 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.61 2dmq h PHE 26 Cb 0.18 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2dmq h PHE 26 CO 0.01 -0.26 -0.45 0.00 -2.23 0.00 0.00 178.31 175.38 2dmq h ALA 27 N 1.84 0.52 0.13 2.41 0.00 -1.48 -3.29 119.26 119.39 2dmq h ALA 27 Ca 0.78 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2dmq h ALA 27 Cb 2.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2dmq h ALA 27 CO -0.61 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.08 2dmq h ILE 28 N 0.73 1.04 -3.41 0.00 2.04 0.64 -3.45 117.51 115.09 2dmq h ILE 28 Ca 0.04 -0.74 -0.23 0.00 1.00 0.00 0.00 64.86 64.93 2dmq h ILE 28 Cb 1.06 1.50 -0.29 0.00 -0.74 0.00 0.00 36.82 38.34 2dmq h ILE 28 CO 0.11 0.17 -0.61 0.21 0.00 0.00 0.00 178.15 178.03 2dmq s ASN 29 N -5.36 -0.09 -0.16 1.72 2.47 0.43 -5.06 114.94 108.89 2dmq s ASN 29 Ca -0.15 0.22 -0.22 0.00 0.42 0.00 0.00 52.86 53.14 2dmq s ASN 29 Cb 0.03 0.17 -0.23 0.00 -1.45 0.00 0.00 41.25 39.77 2dmq s ASN 29 CO 0.62 -0.08 0.45 0.45 -3.72 0.00 0.00 177.10 174.81 2dmq h HIS 30 N 6.54 0.13 -3.42 0.43 3.86 -1.83 -3.36 115.15 117.51 2dmq h HIS 30 Ca -0.33 -0.09 -0.73 0.00 -1.16 0.00 0.00 60.37 58.05 2dmq h HIS 30 Cb 1.17 -0.01 -0.33 0.00 1.06 0.00 0.00 27.41 29.31 2dmq h HIS 30 CO 0.42 1.39 0.05 -0.80 0.86 0.00 0.00 177.93 179.85 2dmq s ASN 31 N -6.75 6.35 0.18 2.45 0.01 -1.26 -4.90 114.94 111.02 2dmq s ASN 31 Ca -0.24 -3.61 -0.30 0.00 -0.71 0.00 0.00 52.86 48.00 2dmq s ASN 31 Cb 0.03 -2.00 -0.08 0.00 0.41 0.00 0.00 41.25 39.61 2dmq s ASN 31 CO 0.67 -0.23 1.32 -2.16 -1.51 0.00 0.00 177.10 175.18 2dmq s PRO 32 N -1.21 4.38 1.09 -0.60 0.04 -1.26 -5.01 135.00 132.43 2dmq s PRO 32 Ca 0.27 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2dmq s PRO 32 Cb -0.09 -3.21 0.24 0.00 0.04 0.00 0.00 34.50 31.49 2dmq s PRO 32 CO -0.11 -0.28 1.06 0.34 0.04 0.00 0.00 177.00 178.05 2dmq s ASP 33 N 0.49 1.56 0.23 6.66 2.15 -1.26 -4.59 116.67 121.92 2dmq s ASP 33 Ca 0.58 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 55.16 2dmq s ASP 33 Cb -0.36 -2.35 0.41 0.00 -0.30 0.00 0.00 42.92 40.32 2dmq s ASP 33 CO 0.36 -3.87 1.68 0.00 -0.17 0.00 0.00 175.17 173.18 2dmq h ALA 34 N -2.39 0.85 -0.51 3.66 0.00 -1.99 -0.00 119.26 118.87 2dmq h ALA 34 Ca -0.57 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2dmq h ALA 34 Cb 1.32 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 2dmq h ALA 34 CO 0.49 -0.35 0.20 -0.22 0.00 0.00 0.00 179.25 179.37 2dmq h LYS 35 N 0.23 0.39 -0.53 0.00 1.63 -2.00 -1.03 116.57 115.25 2dmq h LYS 35 Ca 0.39 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.12 2dmq h LYS 35 Cb 0.65 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2dmq h LYS 35 CO -0.51 0.26 0.15 -0.44 -3.45 0.00 0.00 179.45 175.45 2dmq h ASP 36 N 0.40 0.74 0.43 4.20 5.19 -1.38 -1.14 116.42 124.85 2dmq h ASP 36 Ca 0.24 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2dmq h ASP 36 Cb 0.23 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.56 2dmq h ASP 36 CO -0.22 0.71 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.33 2dmq h LEU 37 N 0.78 -0.49 -1.08 1.55 3.38 -0.06 -2.10 115.31 117.28 2dmq h LEU 37 Ca 0.18 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2dmq h LEU 37 Cb 0.25 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2dmq h LEU 37 CO -0.01 -0.24 0.62 0.07 0.09 0.00 0.00 178.44 178.98 2dmq h LYS 38 N -0.72 1.21 -0.54 1.13 2.10 -1.14 -1.77 116.57 116.83 2dmq h LYS 38 Ca -0.06 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2dmq h LYS 38 Cb 0.52 -0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 31.53 2dmq h LYS 38 CO 0.10 0.80 0.30 1.96 -2.00 0.00 0.00 179.45 180.60 2dmq h GLN 39 N 1.25 0.56 -0.21 0.07 4.20 -1.08 -2.72 115.11 117.18 2dmq h GLN 39 Ca 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 2dmq h GLN 39 Cb -0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2dmq h GLN 39 CO -0.09 0.37 0.02 -0.07 -0.67 0.00 0.00 178.83 178.40 2dmq h LEU 40 N 0.58 0.34 -1.80 1.46 3.38 -0.87 -2.82 115.31 115.57 2dmq h LEU 40 Ca 0.23 -0.28 0.52 0.00 0.09 0.00 0.00 57.88 58.45 2dmq h LEU 40 Cb 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2dmq h LEU 40 CO -0.14 0.54 1.30 0.00 0.09 0.00 0.00 178.44 180.23 2dmq n ALA 41 N -2.31 1.73 -0.09 1.53 0.00 -0.71 0.19 120.51 120.84 2dmq n ALA 41 Ca -0.04 0.60 -0.17 0.00 0.00 0.00 0.00 53.44 53.83 2dmq n ALA 41 Cb 0.21 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 2dmq n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dmq h GLN 42 N 0.00 0.00 -0.97 0.00 4.20 -1.52 0.34 115.11 117.15 2dmq h GLN 42 Ca 0.86 0.00 0.26 0.00 0.06 0.00 0.00 58.65 59.83 2dmq h GLN 42 Cb 3.45 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 31.17 2dmq h GLN 42 CO -0.02 0.79 0.67 0.87 -0.67 0.00 0.00 178.83 180.47 2dmq h LYS 43 N -1.00 0.21 0.00 1.46 1.57 -0.09 -2.09 116.57 116.62 2dmq h LYS 43 Ca -0.23 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.26 2dmq h LYS 43 Cb 1.08 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2dmq h LYS 43 CO -0.14 0.14 -2.03 0.25 -0.57 0.00 0.00 179.45 177.10 2dmq n THR 44 N -4.42 1.03 0.00 -0.16 -2.24 0.21 -4.91 114.28 103.80 2dmq n THR 44 Ca 0.21 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2dmq n THR 44 Cb 0.90 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2dmq n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmq n GLY 45 N 2.13 2.76 3.39 3.38 0.00 0.12 -4.78 105.19 112.19 2dmq n GLY 45 Ca -0.25 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2dmq n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dmq n LEU 46 N 0.00 -1.51 -4.90 0.99 4.77 -1.09 -4.77 117.00 110.50 2dmq n LEU 46 Ca 0.00 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 2dmq n LEU 46 Cb 0.00 -1.14 0.04 0.00 -2.33 0.00 0.00 43.42 40.00 2dmq n LEU 46 CO 0.00 -3.18 0.67 0.42 -1.33 0.00 0.00 177.39 173.97 2dmq s THR 47 N -2.34 3.52 0.11 -5.08 -4.23 -1.26 -4.40 115.64 101.95 2dmq s THR 47 Ca 0.62 0.29 -0.26 0.00 -1.18 0.00 0.00 61.69 61.16 2dmq s THR 47 Cb -0.19 -3.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.11 2dmq s THR 47 CO 0.65 -0.55 1.65 0.50 -0.54 0.00 0.00 174.62 176.33 2dmq h LYS 48 N -0.48 -0.38 -0.24 3.99 3.64 -1.92 -2.54 116.57 118.64 2dmq h LYS 48 Ca -0.45 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 2dmq h LYS 48 Cb 1.26 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 2dmq h LYS 48 CO 0.63 -0.25 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.27 2dmq h ARG 49 N -0.39 -0.18 -0.98 1.90 9.65 -1.97 -0.72 114.38 121.67 2dmq h ARG 49 Ca 0.03 0.01 0.26 0.00 -1.10 0.00 0.00 59.98 59.19 2dmq h ARG 49 Cb 0.43 0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 28.92 2dmq h ARG 49 CO -0.14 -0.12 0.55 0.28 2.80 0.00 0.00 179.97 183.34 2dmq h VAL 50 N -0.19 0.47 0.07 0.20 2.07 -1.88 -0.58 116.25 116.40 2dmq h VAL 50 Ca 0.14 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dmq h VAL 50 Cb 0.40 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2dmq h VAL 50 CO -0.35 0.09 -0.04 -0.07 0.02 0.00 0.00 177.57 177.22 2dmq h LEU 51 N 0.49 -0.08 -0.25 2.57 3.38 -0.77 -2.33 115.31 118.31 2dmq h LEU 51 Ca 0.65 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2dmq h LEU 51 Cb 1.31 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 2dmq h LEU 51 CO -0.52 0.37 -0.50 1.56 0.09 0.00 0.00 178.44 179.44 2dmq h GLN 52 N -0.56 -0.45 0.17 1.13 4.20 -0.01 0.38 115.11 119.96 2dmq h GLN 52 Ca -0.01 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2dmq h GLN 52 Cb 0.47 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 2dmq h GLN 52 CO 0.02 -0.30 -0.33 0.28 -0.67 0.00 0.00 178.83 177.82 2dmq h VAL 53 N -0.47 0.30 -0.37 -0.54 2.07 -1.36 -0.34 116.25 115.54 2dmq h VAL 53 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2dmq h VAL 53 Cb 0.63 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 2dmq h VAL 53 CO -0.50 0.00 -0.56 -0.25 0.02 0.00 0.00 177.57 176.29 2dmq h TRP 54 N -0.59 -1.69 -0.66 1.57 7.01 -0.91 0.24 115.95 120.91 2dmq h TRP 54 Ca 0.02 0.08 0.11 0.00 2.11 0.00 0.00 58.89 61.21 2dmq h TRP 54 Cb 0.60 0.79 -0.08 0.00 -2.10 0.00 0.00 29.16 28.37 2dmq h TRP 54 CO -0.28 -0.50 0.25 0.74 -2.79 0.00 0.00 178.44 175.86 2dmq h PHE 55 N -0.43 0.43 -0.74 2.65 0.04 -0.76 -0.01 116.94 118.11 2dmq h PHE 55 Ca 0.07 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2dmq h PHE 55 Cb 0.61 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 2dmq h PHE 55 CO -0.71 0.09 0.49 1.96 -0.60 0.00 0.00 178.31 179.54 2dmq h GLN 56 N 0.42 0.93 0.00 1.51 4.20 0.53 0.05 115.11 122.76 2dmq h GLN 56 Ca 0.34 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2dmq h GLN 56 Cb 0.46 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dmq h GLN 56 CO -0.34 0.62 0.00 0.09 -0.67 0.00 0.00 178.83 178.53 2dmq n ASN 57 N -4.44 0.73 0.07 1.46 3.02 0.70 -3.59 115.26 113.21 2dmq n ASN 57 Ca 0.09 0.63 -0.06 0.00 -0.03 0.00 0.00 54.58 55.21 2dmq n ASN 57 Cb 0.07 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.40 2dmq n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dmq h ALA 58 N 2.36 -0.27 -0.87 5.41 0.00 -0.03 -3.23 119.26 122.63 2dmq h ALA 58 Ca 0.00 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.05 2dmq h ALA 58 Cb 0.51 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2dmq h ALA 58 CO 0.00 -0.27 1.06 0.00 0.00 0.00 0.00 179.25 180.04 2dmq h ARG 59 N -1.04 0.00 0.07 0.00 3.08 -1.58 0.49 114.38 115.40 2dmq h ARG 59 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dmq h ARG 59 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2dmq h ARG 59 CO 0.05 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.91 2dmq h ALA 60 N 0.70 -0.09 -0.05 0.04 0.00 -1.68 -3.16 119.26 115.02 2dmq h ALA 60 Ca 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2dmq h ALA 60 Cb 2.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.35 2dmq h ALA 60 CO -0.00 -0.21 -0.10 1.57 0.00 0.00 0.00 179.25 180.51 2dmq h LYS 61 N -0.78 0.07 0.18 0.00 2.10 -0.09 -2.86 116.57 115.19 2dmq h LYS 61 Ca -0.01 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2dmq h LYS 61 Cb 0.61 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 2dmq h LYS 61 CO 0.02 0.17 -0.13 0.35 -2.00 0.00 0.00 179.45 177.86 2dmq h PHE 62 N 0.07 -0.33 -0.76 0.07 3.57 -1.30 -1.62 116.94 116.64 2dmq h PHE 62 Ca 0.01 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.73 2dmq h PHE 62 Cb 0.22 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2dmq h PHE 62 CO 0.00 -0.20 0.84 0.00 -2.23 0.00 0.00 178.31 176.72 2dmq h ARG 63 N -0.31 0.00 0.05 1.11 3.08 -1.46 0.27 114.38 117.12 2dmq h ARG 63 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2dmq h ARG 63 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2dmq h ARG 63 CO -0.00 0.00 -0.31 -0.09 -1.07 0.00 0.00 179.97 178.50 2dmq h ARG 64 N 0.00 0.12 -1.15 0.04 2.43 -1.39 -3.13 114.38 111.30 2dmq h ARG 64 Ca 0.36 -0.20 0.34 0.00 -0.81 0.00 0.00 59.98 59.67 2dmq h ARG 64 Cb 2.03 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 31.54 2dmq h ARG 64 CO -0.00 1.08 0.74 -0.91 -1.51 0.00 0.00 179.97 179.36 2dmq h ASN 65 N -0.73 0.36 0.16 -3.80 4.21 -0.17 0.63 115.58 116.23 2dmq h ASN 65 Ca -0.05 0.11 -0.24 0.00 1.21 0.00 0.00 56.30 57.32 2dmq h ASN 65 Cb 1.22 0.06 0.01 0.00 -1.12 0.00 0.00 38.32 38.49 2dmq h ASN 65 CO 0.06 -0.03 -0.97 -0.07 -1.29 0.00 0.00 177.43 175.12 2dmq h LEU 66 N 0.26 0.73 -1.21 1.61 4.07 -1.60 -3.16 115.31 116.01 2dmq h LEU 66 Ca 0.69 -0.57 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 2dmq h LEU 66 Cb 1.95 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.46 2dmq h LEU 66 CO -0.35 1.37 -0.22 -0.07 -1.08 0.00 0.00 178.44 178.10 2dmq h LEU 67 N 0.33 0.00-10.34 1.67 3.38 0.14 -3.45 115.31 107.04 2dmq h LEU 67 Ca -0.10 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.37 2dmq h LEU 67 Cb 1.61 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.49 2dmq h LEU 67 CO 0.18 0.22 0.32 -0.13 0.09 0.00 0.00 178.44 179.12 2dmq s ARG 68 N -3.71 2.22 -0.31 1.13 0.52 0.69 -4.93 118.95 114.56 2dmq s ARG 68 Ca 0.00 0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 56.15 2dmq s ARG 68 Cb 0.11 -1.91 0.22 0.00 0.52 0.00 0.00 34.95 33.89 2dmq s ARG 68 CO 0.63 -1.61 1.99 0.94 0.02 0.00 0.00 175.30 177.27 2dmq n GLN 69 N -3.47 1.79 -2.53 3.54 7.27 -1.26 -4.91 117.38 117.80 2dmq n GLN 69 Ca 0.08 -1.55 -0.43 0.00 0.07 0.00 0.00 57.00 55.17 2dmq n GLN 69 Cb 0.54 -1.61 -0.02 0.00 2.41 0.00 0.00 30.24 31.56 2dmq n GLN 69 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2dmq s GLU 70 N -1.80 3.82 -0.37 3.69 2.12 -1.26 -4.99 118.70 119.91 2dmq s GLU 70 Ca 0.31 0.89 -0.20 0.00 0.36 0.00 0.00 54.97 56.32 2dmq s GLU 70 Cb 0.24 -3.88 0.01 0.00 0.26 0.00 0.00 34.13 30.76 2dmq s GLU 70 CO -0.00 -1.24 0.62 -0.80 -0.54 0.00 0.00 175.26 173.29 2dmq s ASN 71 N 2.57 6.39 0.00 -1.70 -0.87 -1.26 -5.04 114.94 115.02 2dmq s ASN 71 Ca 0.51 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 2dmq s ASN 71 Cb -0.11 -2.32 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2dmq s ASN 71 CO 0.26 -0.61 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 2dmq n GLY 72 N 4.76 0.88 0.54 0.66 0.00 -1.26 -5.11 105.19 105.67 2dmq n GLY 72 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2dmq n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmq n GLY 73 N 5.00 -1.59 0.16 -0.02 0.00 -1.26 -4.96 105.19 102.53 2dmq n GLY 73 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.51 2dmq n GLY 73 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dmq h VAL 74 N 0.00 0.68 -0.50 1.61 3.04 -2.06 -3.46 116.25 115.56 2dmq h VAL 74 Ca 0.00 -1.91 -0.65 0.00 -1.01 0.00 0.00 66.70 63.13 2dmq h VAL 74 Cb 0.00 2.30 -0.11 0.00 -2.01 0.00 0.00 31.29 31.47 2dmq h VAL 74 CO 0.00 0.38 -0.46 -0.94 -1.01 0.00 0.00 177.57 175.54 2dmq s SER 75 N -6.40 4.28 0.00 3.17 1.04 -1.26 -4.92 113.70 109.61 2dmq s SER 75 Ca 0.04 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2dmq s SER 75 Cb 0.07 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dmq s SER 75 CO 0.72 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2dmq n GLY 76 N -1.40 2.78 0.00 7.32 0.00 -1.26 -4.60 105.19 108.04 2dmq n GLY 76 Ca -0.13 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.34 2dmq n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmq n PRO 77 N 0.00 0.30 0.13 1.61 -0.04 -1.26 -3.61 135.00 132.13 2dmq n PRO 77 Ca 0.00 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2dmq n PRO 77 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2dmq n PRO 77 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmq h SER 78 N 0.00 -1.05 -3.68 3.54 0.87 -1.95 -3.41 113.55 107.88 2dmq h SER 78 Ca 0.00 0.11 -0.53 0.00 -1.23 0.00 0.00 61.79 60.15 2dmq h SER 78 Cb 0.10 0.39 -0.32 0.00 -0.44 0.00 0.00 62.40 62.12 2dmq h SER 78 CO 0.00 -0.46 -0.82 -0.94 -0.53 0.00 0.00 176.83 174.08 2dmq s SER 79 N -4.71 1.90 0.00 6.23 1.04 -1.24 -5.27 113.70 111.66 2dmq s SER 79 Ca -0.16 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2dmq s SER 79 Cb 0.07 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2dmq s SER 79 CO 0.64 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.56