#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 0.11 -0.20 1.61 0.01 -1.26 -4.98 113.70 108.99 2dmq s SER 2 Ca 0.00 0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 2dmq s SER 2 Cb 0.00 1.18 -0.09 0.00 0.21 0.00 0.00 66.02 67.33 2dmq s SER 2 CO 0.00 -0.29 -0.25 -0.24 0.41 0.00 0.00 173.24 172.87 2dmq n SER 3 N 5.37 1.91 0.00 2.44 2.88 -1.26 -5.13 113.62 119.83 2dmq n SER 3 Ca -0.04 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dmq n SER 3 Cb 0.50 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2dmq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmq n GLY 4 N 1.43 0.76 3.67 0.46 0.00 -1.26 -5.14 105.19 105.11 2dmq n GLY 4 Ca -0.25 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmq s SER 5 N -4.00 -0.15 -0.42 1.61 1.04 -1.26 -5.13 113.70 105.39 2dmq s SER 5 Ca 0.00 -0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 2dmq s SER 5 Cb 0.00 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.57 2dmq s SER 5 CO 0.00 -0.61 0.24 -0.55 0.98 0.00 0.00 173.24 173.29 2dmq s SER 6 N -2.85 5.37 -0.39 7.02 0.15 -1.26 -4.92 113.70 116.83 2dmq s SER 6 Ca 0.12 -1.97 0.02 0.00 0.70 0.00 0.00 55.95 54.83 2dmq s SER 6 Cb 0.01 -1.88 0.28 0.00 -1.71 0.00 0.00 66.02 62.72 2dmq s SER 6 CO -0.02 -0.57 1.16 0.61 1.20 0.00 0.00 173.24 175.62 2dmq n GLY 7 N 4.68 -0.93 3.60 9.45 0.00 -1.26 -5.07 105.19 115.67 2dmq n GLY 7 Ca -0.04 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 2dmq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmq s LYS 8 N 0.27 3.38 -1.64 1.61 1.02 -1.26 -3.37 119.74 119.76 2dmq s LYS 8 Ca 0.26 1.58 -0.11 0.00 0.02 0.00 0.00 55.97 57.72 2dmq s LYS 8 Cb 0.24 -4.20 0.11 0.00 -0.52 0.00 0.00 37.83 33.46 2dmq s LYS 8 CO -0.15 -1.80 0.28 0.54 -0.92 0.00 0.00 175.35 173.30 2dmq n ARG 9 N 8.37 -0.83 -3.05 1.68 5.12 -1.26 -4.91 116.66 121.78 2dmq n ARG 9 Ca 0.23 0.11 -0.18 0.00 -1.93 0.00 0.00 57.85 56.08 2dmq n ARG 9 Cb 0.46 -3.96 0.02 0.00 -1.16 0.00 0.00 32.46 27.83 2dmq n ARG 9 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2dmq s MET 10 N -7.08 2.65 0.48 5.56 -1.94 -1.22 -5.11 119.30 112.65 2dmq s MET 10 Ca 0.40 -1.38 -0.11 0.00 -1.71 0.00 0.00 55.69 52.88 2dmq s MET 10 Cb -0.23 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 33.85 2dmq s MET 10 CO 0.97 -0.45 0.87 0.50 -0.01 0.00 0.00 175.02 176.91 2dmq s ARG 11 N -4.43 3.76 0.01 2.03 3.52 -1.26 -5.09 118.95 117.49 2dmq s ARG 11 Ca 0.56 0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 56.71 2dmq s ARG 11 Cb -0.08 -2.27 -0.00 0.00 -1.56 0.00 0.00 34.95 31.04 2dmq s ARG 11 CO 0.34 -0.21 0.13 -0.08 -0.81 0.00 0.00 175.30 174.68 2dmq s THR 12 N -2.63 0.10 -0.03 4.11 -1.32 -1.26 -5.13 115.64 109.48 2dmq s THR 12 Ca 0.53 -0.80 0.01 0.00 -1.21 0.00 0.00 61.69 60.22 2dmq s THR 12 Cb -0.10 -0.58 0.02 0.00 -1.51 0.00 0.00 72.50 70.33 2dmq s THR 12 CO 0.37 -0.44 -0.01 -0.55 -2.21 0.00 0.00 174.62 171.78 2dmq s SER 13 N -1.63 0.44 0.12 8.08 0.15 -1.26 -5.15 113.70 114.44 2dmq s SER 13 Ca -0.12 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.56 2dmq s SER 13 Cb -0.06 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 2dmq s SER 13 CO -0.00 -0.08 -0.06 -0.36 1.20 0.00 0.00 173.24 173.94 2dmq s PHE 14 N 0.86 2.81 0.68 3.44 0.08 -1.26 -5.12 117.98 119.46 2dmq s PHE 14 Ca -0.09 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 2dmq s PHE 14 Cb -0.12 -1.44 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2dmq s PHE 14 CO -0.01 0.46 1.06 0.15 -0.10 0.00 0.00 175.22 176.78 2dmq s LYS 15 N -2.39 3.08 0.45 0.44 -0.14 -1.26 -4.96 119.74 114.96 2dmq s LYS 15 Ca 0.24 0.73 0.26 0.00 -1.36 0.00 0.00 55.97 55.83 2dmq s LYS 15 Cb -0.11 -2.02 0.66 0.00 -1.68 0.00 0.00 37.83 34.68 2dmq s LYS 15 CO 0.16 -0.94 1.72 0.45 -0.76 0.00 0.00 175.35 175.98 2dmq h HIS 16 N -0.59 0.00 0.07 3.18 3.86 -2.00 -3.02 115.15 116.65 2dmq h HIS 16 Ca -0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2dmq h HIS 16 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 2dmq h HIS 16 CO 0.59 0.00 -0.03 0.45 0.86 0.00 0.00 177.93 179.80 2dmq h HIS 17 N 0.00 -0.09 -0.44 2.45 3.86 -1.99 -2.68 115.15 116.25 2dmq h HIS 17 Ca 0.00 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2dmq h HIS 17 Cb 0.84 0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.25 2dmq h HIS 17 CO 0.00 -0.06 -0.15 -0.56 0.86 0.00 0.00 177.93 178.03 2dmq h GLN 18 N -0.29 -0.05 -0.71 2.45 3.07 -1.87 -0.80 115.11 116.91 2dmq h GLN 18 Ca -0.01 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2dmq h GLN 18 Cb 0.07 0.01 -0.08 0.00 0.08 0.00 0.00 27.48 27.56 2dmq h GLN 18 CO 0.02 -0.03 0.31 -0.07 0.09 0.00 0.00 178.83 179.15 2dmq h LEU 19 N -0.05 0.35 -1.18 0.06 3.38 -1.68 -0.43 115.31 115.76 2dmq h LEU 19 Ca 0.21 0.08 0.31 0.00 0.09 0.00 0.00 57.88 58.57 2dmq h LEU 19 Cb 0.38 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 2dmq h LEU 19 CO -0.48 0.18 0.65 -0.09 0.09 0.00 0.00 178.44 178.79 2dmq h ARG 20 N 0.51 0.35 0.05 1.13 9.65 -0.78 0.79 114.38 126.08 2dmq h ARG 20 Ca 0.37 -0.02 -0.27 0.00 -1.10 0.00 0.00 59.98 58.96 2dmq h ARG 20 Cb 0.47 -0.08 0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2dmq h ARG 20 CO -0.33 0.23 -1.10 1.15 2.80 0.00 0.00 179.97 182.72 2dmq h THR 21 N 0.36 1.32 0.22 0.20 2.02 -1.03 -3.09 112.91 112.91 2dmq h THR 21 Ca 0.69 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.45 2dmq h THR 21 Cb 1.68 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 2dmq h THR 21 CO -0.45 0.73 -0.10 0.24 0.37 0.00 0.00 175.52 176.30 2dmq h MET 22 N 0.31 -0.28 -0.94 6.66 2.86 0.05 -2.95 114.93 120.63 2dmq h MET 22 Ca -0.14 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.66 2dmq h MET 22 Cb 1.76 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 33.34 2dmq h MET 22 CO 0.21 -0.19 -0.40 0.87 1.06 0.00 0.00 176.91 178.46 2dmq h LYS 23 N -0.66 -0.02 -0.75 1.72 1.57 0.20 0.58 116.57 119.20 2dmq h LYS 23 Ca -0.03 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 2dmq h LYS 23 Cb 0.22 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 2dmq h LYS 23 CO 0.05 -0.02 0.32 0.77 -0.57 0.00 0.00 179.45 180.01 2dmq h SER 24 N -0.02 0.34 -0.74 0.86 0.02 -1.66 -0.75 113.55 111.60 2dmq h SER 24 Ca 0.32 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 2dmq h SER 24 Cb 0.58 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2dmq h SER 24 CO -0.95 0.15 0.44 0.22 -1.14 0.00 0.00 176.83 175.55 2dmq h TYR 25 N 0.49 0.98 -1.32 3.45 5.03 0.28 -2.26 116.97 123.62 2dmq h TYR 25 Ca 0.40 -0.01 0.39 0.00 2.58 0.00 0.00 58.73 62.10 2dmq h TYR 25 Cb 0.57 -0.32 -0.09 0.00 1.55 0.00 0.00 36.73 38.44 2dmq h TYR 25 CO -0.15 0.67 0.90 0.35 -1.32 0.00 0.00 178.16 178.61 2dmq h PHE 26 N 1.01 0.34 0.01 -3.82 3.57 0.45 0.77 116.94 119.28 2dmq h PHE 26 Ca 0.26 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.52 2dmq h PHE 26 Cb -0.02 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 38.65 2dmq h PHE 26 CO -0.01 -0.06 -1.05 0.00 -2.23 0.00 0.00 178.31 174.97 2dmq h ALA 27 N 1.46 0.16 0.11 2.41 0.00 -1.40 -3.27 119.26 118.74 2dmq h ALA 27 Ca 0.72 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dmq h ALA 27 Cb 2.43 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.26 2dmq h ALA 27 CO -0.22 0.72 -0.05 0.82 0.00 0.00 0.00 179.25 180.52 2dmq h ILE 28 N 0.35 1.08 -3.00 0.00 2.04 0.45 -3.43 117.51 114.99 2dmq h ILE 28 Ca -0.13 -0.89 -0.38 0.00 1.00 0.00 0.00 64.86 64.46 2dmq h ILE 28 Cb 1.70 1.64 -0.38 0.00 -0.74 0.00 0.00 36.82 39.03 2dmq h ILE 28 CO 0.20 0.21 -0.70 0.21 0.00 0.00 0.00 178.15 178.07 2dmq s ASN 29 N -5.44 1.56 0.07 1.72 2.47 0.38 -5.03 114.94 110.67 2dmq s ASN 29 Ca -0.15 -0.19 -0.18 0.00 0.42 0.00 0.00 52.86 52.77 2dmq s ASN 29 Cb 0.02 0.02 -0.12 0.00 -1.45 0.00 0.00 41.25 39.72 2dmq s ASN 29 CO 0.61 -0.30 1.37 0.45 -3.72 0.00 0.00 177.10 175.50 2dmq h HIS 30 N 8.39 0.63 -3.40 0.43 3.86 -1.80 -3.37 115.15 119.89 2dmq h HIS 30 Ca -0.14 -0.20 -0.73 0.00 -1.16 0.00 0.00 60.37 58.14 2dmq h HIS 30 Cb 1.14 -0.13 -0.33 0.00 1.06 0.00 0.00 27.41 29.15 2dmq h HIS 30 CO 0.27 0.89 0.05 -0.80 0.86 0.00 0.00 177.93 179.21 2dmq s ASN 31 N -6.36 6.36 0.70 2.45 0.01 -1.26 -4.96 114.94 111.89 2dmq s ASN 31 Ca -0.13 -3.65 -0.13 0.00 -0.71 0.00 0.00 52.86 48.24 2dmq s ASN 31 Cb 0.07 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.75 2dmq s ASN 31 CO 0.79 -0.22 1.10 -2.16 -1.51 0.00 0.00 177.10 175.10 2dmq s PRO 32 N -1.26 2.59 0.49 -0.60 0.04 -1.26 -5.07 135.00 129.94 2dmq s PRO 32 Ca 0.28 1.31 0.09 0.00 0.04 0.00 0.00 61.00 62.72 2dmq s PRO 32 Cb -0.08 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2dmq s PRO 32 CO -0.11 -1.40 0.66 -0.51 0.04 0.00 0.00 177.00 175.68 2dmq s ASP 33 N -2.88 5.36 0.13 6.66 1.01 -1.26 -4.90 116.67 120.79 2dmq s ASP 33 Ca 0.65 -0.65 -0.32 0.00 0.71 0.00 0.00 52.55 52.94 2dmq s ASP 33 Cb -0.19 -0.19 -0.10 0.00 1.01 0.00 0.00 42.92 43.44 2dmq s ASP 33 CO 0.47 -1.03 1.55 0.00 0.21 0.00 0.00 175.17 176.37 2dmq h ALA 34 N 0.44 -0.77 -0.98 5.23 0.00 -1.98 0.62 119.26 121.82 2dmq h ALA 34 Ca -0.35 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.73 2dmq h ALA 34 Cb 1.28 1.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.98 2dmq h ALA 34 CO 0.44 -1.04 -0.29 1.17 0.00 0.00 0.00 179.25 179.52 2dmq n LYS 35 N -5.39 -0.14 -0.17 0.00 3.00 -1.26 0.66 118.16 114.86 2dmq n LYS 35 Ca -0.04 1.52 -0.09 0.00 -0.00 0.00 0.00 58.31 59.70 2dmq n LYS 35 Cb 0.35 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.12 2dmq n LYS 35 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dmq h ASP 36 N 0.00 0.74 0.31 3.14 3.32 -1.59 -0.55 116.42 121.80 2dmq h ASP 36 Ca 0.42 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2dmq h ASP 36 Cb 0.67 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2dmq h ASP 36 CO -1.00 0.79 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.87 2dmq h LEU 37 N 0.66 -1.04 -1.32 1.55 3.38 0.24 0.24 115.31 119.03 2dmq h LEU 37 Ca 0.15 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dmq h LEU 37 Cb 0.34 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2dmq h LEU 37 CO 0.00 -0.50 0.17 0.07 0.09 0.00 0.00 178.44 178.27 2dmq h LYS 38 N -0.73 0.64 -0.09 1.13 2.10 -0.79 -1.48 116.57 117.34 2dmq h LYS 38 Ca -0.02 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 2dmq h LYS 38 Cb 0.68 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2dmq h LYS 38 CO -0.10 0.54 -0.34 1.96 -2.00 0.00 0.00 179.45 179.50 2dmq h GLN 39 N 0.64 0.18 -0.01 0.07 1.08 -0.49 -3.12 115.11 113.45 2dmq h GLN 39 Ca 0.15 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2dmq h GLN 39 Cb 0.14 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2dmq h GLN 39 CO -0.01 0.50 -0.49 -0.07 -0.95 0.00 0.00 178.83 177.81 2dmq h LEU 40 N 0.15 0.44 -1.11 1.46 3.38 0.26 -3.08 115.31 116.81 2dmq h LEU 40 Ca 0.02 -0.76 0.20 0.00 0.09 0.00 0.00 57.88 57.43 2dmq h LEU 40 Cb 0.68 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2dmq h LEU 40 CO 0.05 1.14 1.00 0.00 0.09 0.00 0.00 178.44 180.72 2dmq h ALA 41 N 0.31 2.57 0.00 1.53 0.00 -1.23 0.20 119.26 122.64 2dmq h ALA 41 Ca -0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2dmq h ALA 41 Cb 1.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2dmq h ALA 41 CO 0.10 -1.36 -1.31 1.04 0.00 0.00 0.00 179.25 177.72 2dmq n GLN 42 N -3.19 0.55 0.32 0.00 6.02 -1.21 0.33 117.38 120.20 2dmq n GLN 42 Ca 0.15 0.53 0.18 0.00 -0.01 0.00 0.00 57.00 57.85 2dmq n GLN 42 Cb 1.22 -1.71 0.93 0.00 1.02 0.00 0.00 30.24 31.71 2dmq n GLN 42 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dmq h LYS 43 N -1.00 0.00 0.00 -1.09 1.57 -0.61 -2.67 116.57 112.76 2dmq h LYS 43 Ca -0.34 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2dmq h LYS 43 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2dmq h LYS 43 CO -0.21 0.00 -1.17 0.25 -0.57 0.00 0.00 179.45 177.76 2dmq n THR 44 N -3.04 0.17 0.00 -0.16 -2.24 -0.03 -4.78 114.28 104.19 2dmq n THR 44 Ca -0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2dmq n THR 44 Cb 0.30 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 3.01 3.46 3.44 3.38 0.00 0.15 -4.83 105.19 113.80 2dmq n GLY 45 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2dmq n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmq s LEU 46 N 0.00 -0.06 0.49 0.99 1.43 -1.10 -4.84 118.68 115.60 2dmq s LEU 46 Ca 0.00 0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2dmq s LEU 46 Cb 0.00 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 2dmq s LEU 46 CO 0.00 -4.66 0.75 0.42 0.23 0.00 0.00 176.35 173.08 2dmq s THR 47 N -2.53 3.96 0.16 5.49 -4.23 -1.26 -4.44 115.64 112.78 2dmq s THR 47 Ca 0.69 -0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.73 2dmq s THR 47 Cb -0.16 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.21 2dmq s THR 47 CO 0.59 -0.41 1.75 0.50 -0.54 0.00 0.00 174.62 176.51 2dmq h LYS 48 N 0.22 0.25 0.33 3.99 3.64 -1.94 -2.52 116.57 120.54 2dmq h LYS 48 Ca -0.46 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2dmq h LYS 48 Cb 1.25 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2dmq h LYS 48 CO 0.59 0.17 -0.33 -0.09 -2.27 0.00 0.00 179.45 177.51 2dmq h ARG 49 N 0.26 -0.66 -0.86 1.90 9.65 -1.94 -1.31 114.38 121.41 2dmq h ARG 49 Ca 0.17 0.05 0.22 0.00 -1.10 0.00 0.00 59.98 59.31 2dmq h ARG 49 Cb 0.16 0.15 -0.15 0.00 -1.39 0.00 0.00 29.97 28.74 2dmq h ARG 49 CO -0.18 -0.44 0.12 0.28 2.80 0.00 0.00 179.97 182.54 2dmq h VAL 50 N -0.69 0.27 0.35 0.20 2.07 -1.90 -0.34 116.25 116.21 2dmq h VAL 50 Ca -0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2dmq h VAL 50 Cb 0.63 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2dmq h VAL 50 CO -0.06 0.02 -0.17 -0.07 0.02 0.00 0.00 177.57 177.31 2dmq h LEU 51 N 0.13 -0.40 -0.55 2.57 3.38 -1.02 -0.93 115.31 118.50 2dmq h LEU 51 Ca 0.51 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.50 2dmq h LEU 51 Cb 1.00 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2dmq h LEU 51 CO -0.71 -0.16 -0.34 1.56 0.09 0.00 0.00 178.44 178.88 2dmq h GLN 52 N -0.62 -0.18 0.76 1.13 4.20 0.05 0.22 115.11 120.66 2dmq h GLN 52 Ca -0.05 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2dmq h GLN 52 Cb 0.45 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.28 2dmq h GLN 52 CO 0.08 -0.12 -0.36 0.28 -0.67 0.00 0.00 178.83 178.03 2dmq h VAL 53 N -0.19 0.00 -0.99 -0.54 2.07 -1.21 -0.87 116.25 114.52 2dmq h VAL 53 Ca 0.22 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.84 2dmq h VAL 53 Cb 0.55 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 2dmq h VAL 53 CO -0.65 0.00 -0.50 1.87 0.02 0.00 0.00 177.57 178.31 2dmq n TRP 54 N -4.77 -0.23 0.01 1.57 -0.00 -0.36 -0.02 117.44 113.65 2dmq n TRP 54 Ca -0.13 1.24 -0.10 0.00 -0.00 0.00 0.00 57.50 58.51 2dmq n TRP 54 Cb 0.40 -0.71 -0.04 0.00 -0.00 0.00 0.00 31.31 30.96 2dmq n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dmq h PHE 55 N 0.00 -0.29 -0.95 5.87 -1.00 -0.94 -1.65 116.94 117.98 2dmq h PHE 55 Ca 0.24 0.02 0.14 0.00 2.81 0.00 0.00 57.97 61.18 2dmq h PHE 55 Cb 0.49 0.14 -0.08 0.00 3.61 0.00 0.00 35.95 40.12 2dmq h PHE 55 CO -0.96 -0.18 0.60 1.96 -1.61 0.00 0.00 178.31 178.13 2dmq h GLN 56 N -0.16 0.78 -0.47 1.51 4.20 0.73 0.00 115.11 121.71 2dmq h GLN 56 Ca 0.07 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2dmq h GLN 56 Cb 0.26 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2dmq h GLN 56 CO -0.18 0.52 -0.01 -0.91 -0.67 0.00 0.00 178.83 177.57 2dmq h ASN 57 N 0.81 0.75 0.09 1.46 -0.26 0.45 -3.10 115.58 115.77 2dmq h ASN 57 Ca 0.48 -0.18 0.02 0.00 -0.56 0.00 0.00 56.30 56.06 2dmq h ASN 57 Cb 0.67 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.70 2dmq h ASN 57 CO -0.25 0.83 -0.22 0.00 -1.06 0.00 0.00 177.43 176.73 2dmq h ALA 58 N 1.26 -0.36 -0.82 -0.83 0.00 -0.18 -2.32 119.26 116.01 2dmq h ALA 58 Ca 0.14 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.22 2dmq h ALA 58 Cb 0.46 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2dmq h ALA 58 CO 0.02 -0.75 0.24 0.00 0.00 0.00 0.00 179.25 178.77 2dmq h ARG 59 N -0.40 0.27 -0.90 0.00 2.47 -1.44 0.23 114.38 114.61 2dmq h ARG 59 Ca 0.03 -0.02 0.14 0.00 -1.26 0.00 0.00 59.98 58.88 2dmq h ARG 59 Cb 0.43 -0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.60 2dmq h ARG 59 CO -0.14 0.18 0.51 0.00 0.56 0.00 0.00 179.97 181.08 2dmq h ALA 60 N 1.70 1.38 0.35 0.04 0.00 -1.42 0.32 119.26 121.62 2dmq h ALA 60 Ca 0.49 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2dmq h ALA 60 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dmq h ALA 60 CO -0.57 -0.00 -0.17 -0.22 0.00 0.00 0.00 179.25 178.29 2dmq h LYS 61 N 0.73 -0.45 -0.70 0.00 3.64 -0.43 -3.15 116.57 116.22 2dmq h LYS 61 Ca 0.48 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 60.00 2dmq h LYS 61 Cb 0.64 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 2dmq h LYS 61 CO -0.34 -0.16 0.31 0.35 -2.27 0.00 0.00 179.45 177.34 2dmq h PHE 62 N -0.72 0.55 -0.93 1.91 3.04 -0.88 -1.99 116.94 117.91 2dmq h PHE 62 Ca -0.05 0.03 0.23 0.00 3.98 0.00 0.00 57.97 62.17 2dmq h PHE 62 Cb 0.50 -0.14 -0.17 0.00 2.56 0.00 0.00 35.95 38.69 2dmq h PHE 62 CO 0.01 0.15 -0.06 0.54 -2.02 0.00 0.00 178.31 176.92 2dmq n ARG 63 N -4.93 -0.08 -0.16 1.11 5.12 0.05 -0.75 116.66 117.02 2dmq n ARG 63 Ca 0.11 1.41 -0.08 0.00 -1.93 0.00 0.00 57.85 57.37 2dmq n ARG 63 Cb 0.32 -2.20 -0.06 0.00 -1.16 0.00 0.00 32.46 29.35 2dmq n ARG 63 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2dmq h ARG 64 N 0.00 -0.15 -0.42 5.56 2.43 -1.43 -0.71 114.38 119.66 2dmq h ARG 64 Ca 0.53 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.79 2dmq h ARG 64 Cb 1.00 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 2dmq h ARG 64 CO -0.90 -0.10 -0.05 -0.97 -1.51 0.00 0.00 179.97 176.43 2dmq h ASN 65 N -0.16 -0.28 -0.95 -3.80 -1.24 -1.10 -1.04 115.58 107.03 2dmq h ASN 65 Ca 0.07 0.11 0.29 0.00 0.71 0.00 0.00 56.30 57.48 2dmq h ASN 65 Cb 0.34 0.22 -0.15 0.00 0.73 0.00 0.00 38.32 39.45 2dmq h ASN 65 CO -0.47 -0.10 0.37 0.25 -1.29 0.00 0.00 177.43 176.19 2dmq h LEU 66 N 0.05 0.18 -0.98 0.34 5.85 -0.67 0.81 115.31 120.89 2dmq h LEU 66 Ca 0.20 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 2dmq h LEU 66 Cb 0.31 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2dmq h LEU 66 CO -0.39 -0.20 0.16 -0.07 -0.34 0.00 0.00 178.44 177.61 2dmq h LEU 67 N 0.21 0.84-10.14 2.25 3.38 -0.21 -3.44 115.31 108.19 2dmq h LEU 67 Ca 0.65 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 57.95 2dmq h LEU 67 Cb 1.44 -0.22 0.19 0.00 0.09 0.00 0.00 40.66 42.17 2dmq h LEU 67 CO -0.67 0.80 0.13 -1.14 0.09 0.00 0.00 178.44 177.65 2dmq n ARG 68 N -4.27 -0.13 -1.86 1.13 0.63 0.28 -4.87 116.66 107.57 2dmq n ARG 68 Ca 0.04 0.03 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2dmq n ARG 68 Cb 0.22 -2.31 -0.01 0.00 0.45 0.00 0.00 32.46 30.81 2dmq n ARG 68 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2dmq n GLN 69 N -3.32 3.89 -1.46 -0.14 6.02 -1.26 -4.73 117.38 116.37 2dmq n GLN 69 Ca 0.12 -3.03 -0.31 0.00 -0.01 0.00 0.00 57.00 53.77 2dmq n GLN 69 Cb 0.51 -2.84 0.03 0.00 1.02 0.00 0.00 30.24 28.96 2dmq n GLN 69 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2dmq n GLU 70 N 3.33 2.47 -3.69 -1.09 -0.58 -1.26 -4.91 120.64 114.92 2dmq n GLU 70 Ca 0.60 -2.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.54 2dmq n GLU 70 Cb 0.29 -2.12 -0.00 0.00 -0.57 0.00 0.00 31.44 29.03 2dmq n GLU 70 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2dmq s ASN 71 N -0.69 -0.08 -0.58 1.62 0.01 -1.26 -5.11 114.94 108.85 2dmq s ASN 71 Ca 0.53 -0.23 -0.04 0.00 -0.71 0.00 0.00 52.86 52.41 2dmq s ASN 71 Cb 0.41 0.26 0.15 0.00 0.41 0.00 0.00 41.25 42.48 2dmq s ASN 71 CO -0.18 -0.49 0.40 -0.83 -1.51 0.00 0.00 177.10 174.50 2dmq s GLY 72 N -3.04 2.36 0.00 0.66 0.00 -1.26 -4.68 107.32 101.36 2dmq s GLY 72 Ca 0.15 -3.04 0.00 0.00 0.00 0.00 0.00 44.72 41.83 2dmq s GLY 72 CO -0.02 1.10 0.00 0.61 0.00 0.00 0.00 173.10 174.79 2dmq n GLY 73 N 3.89 3.40 2.90 0.20 0.00 -1.26 -4.89 105.19 109.43 2dmq n GLY 73 Ca 0.05 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 2dmq n GLY 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dmq n VAL 74 N 0.00 0.00 -1.63 1.61 3.14 -1.26 -4.75 118.33 115.43 2dmq n VAL 74 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2dmq n VAL 74 Cb 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 2dmq n VAL 74 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2dmq n SER 75 N -1.32 1.69 0.00 6.55 2.88 -1.26 -4.90 113.62 117.26 2dmq n SER 75 Ca 0.05 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2dmq n SER 75 Cb 0.34 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2dmq n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmq n GLY 76 N 1.07 -1.46 3.77 0.46 0.00 -1.26 -5.17 105.19 102.60 2dmq n GLY 76 Ca 0.08 0.61 -0.32 0.00 0.00 0.00 0.00 46.02 46.39 2dmq n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmq s PRO 77 N 0.00 2.53 0.19 1.61 0.04 -1.26 -5.07 135.00 133.04 2dmq s PRO 77 Ca 0.00 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 2dmq s PRO 77 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2dmq s PRO 77 CO 0.00 -1.44 0.15 0.45 0.04 0.00 0.00 177.00 176.19 2dmq s SER 78 N -2.98 0.15 0.62 6.66 0.15 -1.26 -5.17 113.70 111.88 2dmq s SER 78 Ca 0.64 -1.33 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 2dmq s SER 78 Cb -0.19 0.38 0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2dmq s SER 78 CO 0.49 -0.85 0.89 -0.94 1.20 0.00 0.00 173.24 174.03 2dmq s SER 79 N -3.13 5.08 0.00 5.45 1.04 -1.26 -5.37 113.70 115.51 2dmq s SER 79 Ca 0.36 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2dmq s SER 79 Cb 0.06 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2dmq s SER 79 CO 0.10 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.59