#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 0.48 -0.26 1.61 0.01 -1.26 -5.03 113.70 109.26 2dmq s SER 2 Ca 0.00 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.67 2dmq s SER 2 Cb 0.00 0.75 0.13 0.00 0.21 0.00 0.00 66.02 67.11 2dmq s SER 2 CO 0.00 -0.26 2.19 -1.54 0.41 0.00 0.00 173.24 174.03 2dmq n SER 3 N 5.35 6.19 -2.68 2.44 3.41 -1.26 -4.87 113.62 122.21 2dmq n SER 3 Ca -0.06 -2.92 -0.03 0.00 -0.26 0.00 0.00 58.87 55.60 2dmq n SER 3 Cb 0.50 -1.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 2dmq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmq n GLY 4 N 0.74 -4.63 3.30 5.00 0.00 -1.26 -4.97 105.19 103.38 2dmq n GLY 4 Ca 0.27 1.10 -0.39 0.00 0.00 0.00 0.00 46.02 47.00 2dmq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmq s SER 5 N -1.15 5.50 0.12 1.61 0.15 -1.26 -5.07 113.70 113.59 2dmq s SER 5 Ca -0.14 -1.16 0.03 0.00 0.70 0.00 0.00 55.95 55.38 2dmq s SER 5 Cb 0.01 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 2dmq s SER 5 CO 0.77 -0.38 -0.08 -0.55 1.20 0.00 0.00 173.24 174.19 2dmq s SER 6 N 1.56 1.39 -1.25 5.45 0.15 -1.26 -5.08 113.70 114.66 2dmq s SER 6 Ca 0.00 -1.01 -0.14 0.00 0.70 0.00 0.00 55.95 55.50 2dmq s SER 6 Cb -0.20 0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.31 2dmq s SER 6 CO 0.04 -0.41 1.58 0.61 1.20 0.00 0.00 173.24 176.26 2dmq n GLY 7 N -0.10 3.38 2.73 9.45 0.00 -1.26 -4.91 105.19 114.48 2dmq n GLY 7 Ca -0.11 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 2.09 0.51 -0.03 1.61 1.02 -1.26 -5.13 119.74 118.54 2dmq s LYS 8 Ca 0.45 -0.09 -0.16 0.00 0.02 0.00 0.00 55.97 56.19 2dmq s LYS 8 Cb 0.01 -1.46 0.03 0.00 -0.52 0.00 0.00 37.83 35.88 2dmq s LYS 8 CO 0.02 -0.47 0.35 -0.98 -0.92 0.00 0.00 175.35 173.35 2dmq s ARG 9 N 1.97 0.67 0.01 1.68 3.03 -1.26 -5.17 118.95 119.88 2dmq s ARG 9 Ca 0.02 -0.06 -0.28 0.00 2.03 0.00 0.00 55.73 57.45 2dmq s ARG 9 Cb -0.14 0.30 0.09 0.00 -1.03 0.00 0.00 34.95 34.17 2dmq s ARG 9 CO -0.07 -0.18 0.79 1.41 -1.13 0.00 0.00 175.30 176.12 2dmq s MET 10 N -1.12 0.96 0.06 3.89 1.75 -1.26 -5.17 119.30 118.41 2dmq s MET 10 Ca -0.12 -0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.21 2dmq s MET 10 Cb -0.04 0.45 -0.03 0.00 2.84 0.00 0.00 34.83 38.04 2dmq s MET 10 CO 0.04 -0.39 -0.20 -0.98 -0.65 0.00 0.00 175.02 172.84 2dmq s ARG 11 N -2.71 1.94 0.17 4.11 3.03 -1.26 -5.06 118.95 119.17 2dmq s ARG 11 Ca 0.00 -1.05 -0.14 0.00 2.03 0.00 0.00 55.73 56.57 2dmq s ARG 11 Cb -0.01 -2.12 0.02 0.00 -1.03 0.00 0.00 34.95 31.81 2dmq s ARG 11 CO -0.06 0.52 0.41 0.95 -1.13 0.00 0.00 175.30 175.99 2dmq s THR 12 N -0.94 0.05 0.40 4.99 -4.23 -1.26 -5.17 115.64 109.49 2dmq s THR 12 Ca 0.14 -0.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 2dmq s THR 12 Cb -0.10 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 2dmq s THR 12 CO 0.05 -0.25 0.72 -0.44 -0.54 0.00 0.00 174.62 174.17 2dmq s SER 13 N -2.89 6.41 0.11 3.99 0.01 -1.26 -5.10 113.70 114.97 2dmq s SER 13 Ca 0.10 0.94 -0.01 0.00 1.31 0.00 0.00 55.95 58.30 2dmq s SER 13 Cb 0.01 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2dmq s SER 13 CO -0.04 -0.41 0.03 -0.36 0.41 0.00 0.00 173.24 172.87 2dmq s PHE 14 N -2.43 0.80 0.76 2.43 0.08 -1.26 -5.17 117.98 113.18 2dmq s PHE 14 Ca 0.48 -1.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.29 2dmq s PHE 14 Cb -0.10 -0.47 0.12 0.00 -0.57 0.00 0.00 43.02 42.00 2dmq s PHE 14 CO 0.36 -0.47 1.06 0.15 -0.10 0.00 0.00 175.22 176.22 2dmq s LYS 15 N -4.01 1.65 0.09 0.44 -0.14 -1.26 -5.01 119.74 111.50 2dmq s LYS 15 Ca 0.20 -0.69 0.24 0.00 -1.36 0.00 0.00 55.97 54.36 2dmq s LYS 15 Cb 0.08 -2.19 0.21 0.00 -1.68 0.00 0.00 37.83 34.25 2dmq s LYS 15 CO -0.01 -1.56 1.19 0.72 -0.76 0.00 0.00 175.35 174.93 2dmq n HIS 16 N -3.04 0.43 -0.02 3.18 8.25 -1.26 -3.61 115.22 119.15 2dmq n HIS 16 Ca 0.13 0.12 -0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2dmq n HIS 16 Cb 0.60 -0.56 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 2dmq n HIS 16 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dmq h HIS 17 N 0.00 -0.00 -0.33 4.41 3.86 -2.00 -3.08 115.15 118.01 2dmq h HIS 17 Ca 0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2dmq h HIS 17 Cb 0.74 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.15 2dmq h HIS 17 CO 0.00 -0.00 -0.11 -0.56 0.86 0.00 0.00 177.93 178.12 2dmq h GLN 18 N -0.45 -0.04 -0.56 2.45 3.07 -1.87 -1.92 115.11 115.79 2dmq h GLN 18 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2dmq h GLN 18 Cb 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 27.48 27.48 2dmq h GLN 18 CO 0.00 -0.03 0.03 -0.07 0.09 0.00 0.00 178.83 178.85 2dmq h LEU 19 N -0.05 -0.18 -0.98 0.06 3.38 -1.75 -0.78 115.31 115.02 2dmq h LEU 19 Ca 0.16 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.57 2dmq h LEU 19 Cb 0.29 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.08 2dmq h LEU 19 CO -0.36 -0.06 0.25 -0.09 0.09 0.00 0.00 178.44 178.26 2dmq h ARG 20 N 0.15 0.05 -0.21 1.13 9.65 -1.25 0.69 114.38 124.60 2dmq h ARG 20 Ca 0.29 -0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.04 2dmq h ARG 20 Cb 0.44 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2dmq h ARG 20 CO -0.44 0.04 -0.34 1.15 2.80 0.00 0.00 179.97 183.17 2dmq h THR 21 N 0.06 1.33 0.30 0.20 2.02 -1.15 -2.52 112.91 113.14 2dmq h THR 21 Ca 0.68 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2dmq h THR 21 Cb 1.55 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2dmq h THR 21 CO -0.82 0.48 -0.15 0.24 0.37 0.00 0.00 175.52 175.65 2dmq h MET 22 N 0.28 -0.39 -0.82 6.66 2.86 0.40 -2.27 114.93 121.65 2dmq h MET 22 Ca 0.02 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.86 2dmq h MET 22 Cb 0.93 0.09 -0.15 0.00 0.06 0.00 0.00 31.60 32.52 2dmq h MET 22 CO 0.08 -0.26 -0.13 0.87 1.06 0.00 0.00 176.91 178.53 2dmq h LYS 23 N -0.56 0.02 -0.88 1.72 1.57 -0.06 0.50 116.57 118.88 2dmq h LYS 23 Ca -0.04 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2dmq h LYS 23 Cb 0.31 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 2dmq h LYS 23 CO 0.07 0.02 0.54 1.03 -0.57 0.00 0.00 179.45 180.54 2dmq h SER 24 N 0.03 0.83 -0.44 0.86 0.87 -1.50 -2.07 113.55 112.13 2dmq h SER 24 Ca 0.42 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.94 2dmq h SER 24 Cb 0.70 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2dmq h SER 24 CO -0.81 0.51 0.03 0.22 -0.53 0.00 0.00 176.83 176.25 2dmq h TYR 25 N 0.95 0.82 -1.35 2.24 5.03 0.52 -2.84 116.97 122.34 2dmq h TYR 25 Ca 0.40 -0.13 0.42 0.00 2.58 0.00 0.00 58.73 62.00 2dmq h TYR 25 Cb 0.25 -0.22 -0.11 0.00 1.55 0.00 0.00 36.73 38.20 2dmq h TYR 25 CO -0.03 0.80 0.90 0.35 -1.32 0.00 0.00 178.16 178.85 2dmq h PHE 26 N 0.61 0.43 0.06 -3.82 3.57 -0.27 1.22 116.94 118.74 2dmq h PHE 26 Ca 0.13 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.40 2dmq h PHE 26 Cb 0.45 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.09 2dmq h PHE 26 CO 0.03 -0.13 -1.08 0.00 -2.23 0.00 0.00 178.31 174.91 2dmq h ALA 27 N 1.52 0.23 -0.01 2.41 0.00 -1.50 -3.30 119.26 118.61 2dmq h ALA 27 Ca 0.79 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dmq h ALA 27 Cb 2.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 2dmq h ALA 27 CO -0.32 0.84 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 2dmq h ILE 28 N 0.19 1.39 -2.70 0.00 2.04 0.14 -3.44 117.51 115.13 2dmq h ILE 28 Ca -0.11 -1.16 -0.22 0.00 1.00 0.00 0.00 64.86 64.37 2dmq h ILE 28 Cb 1.74 2.16 -0.33 0.00 -0.74 0.00 0.00 36.82 39.66 2dmq h ILE 28 CO 0.19 0.30 -0.53 0.21 0.00 0.00 0.00 178.15 178.32 2dmq s ASN 29 N -5.72 0.49 0.15 1.72 2.47 0.51 -5.03 114.94 109.53 2dmq s ASN 29 Ca -0.16 0.44 -0.08 0.00 0.42 0.00 0.00 52.86 53.49 2dmq s ASN 29 Cb 0.02 0.72 -0.02 0.00 -1.45 0.00 0.00 41.25 40.52 2dmq s ASN 29 CO 0.68 -0.26 1.42 0.45 -3.72 0.00 0.00 177.10 175.67 2dmq h HIS 30 N 8.28 0.90 -3.39 0.43 3.86 -1.81 -3.37 115.15 120.04 2dmq h HIS 30 Ca -0.15 -0.34 -0.73 0.00 -1.16 0.00 0.00 60.37 57.99 2dmq h HIS 30 Cb 1.12 -0.16 -0.33 0.00 1.06 0.00 0.00 27.41 29.10 2dmq h HIS 30 CO 0.30 1.13 0.03 -0.80 0.86 0.00 0.00 177.93 179.46 2dmq s ASN 31 N -6.98 6.31 0.22 2.45 0.01 -1.26 -4.99 114.94 110.70 2dmq s ASN 31 Ca -0.09 -3.65 -0.30 0.00 -0.71 0.00 0.00 52.86 48.11 2dmq s ASN 31 Cb 0.10 -1.98 -0.09 0.00 0.41 0.00 0.00 41.25 39.69 2dmq s ASN 31 CO 0.87 -0.22 1.29 -2.16 -1.51 0.00 0.00 177.10 175.37 2dmq s PRO 32 N -1.27 4.41 0.67 -0.60 0.04 -1.26 -5.03 135.00 131.96 2dmq s PRO 32 Ca 0.28 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.27 2dmq s PRO 32 Cb -0.08 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.30 2dmq s PRO 32 CO -0.11 -0.20 1.02 -0.51 0.04 0.00 0.00 177.00 177.24 2dmq s ASP 33 N 0.13 5.36 0.18 6.66 1.01 -1.26 -4.76 116.67 123.99 2dmq s ASP 33 Ca 0.54 0.88 -0.27 0.00 0.71 0.00 0.00 52.55 54.41 2dmq s ASP 33 Cb -0.36 -1.71 0.02 0.00 1.01 0.00 0.00 42.92 41.87 2dmq s ASP 33 CO 0.40 -1.31 1.55 0.00 0.21 0.00 0.00 175.17 176.02 2dmq h ALA 34 N -0.50 -0.36 -0.80 5.23 0.00 -1.98 0.14 119.26 120.99 2dmq h ALA 34 Ca -0.45 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.74 2dmq h ALA 34 Cb 1.27 1.24 -0.14 0.00 0.00 0.00 0.00 17.79 20.16 2dmq h ALA 34 CO 0.62 -0.87 -0.35 -0.22 0.00 0.00 0.00 179.25 178.43 2dmq h LYS 35 N -0.04 -0.07 -0.85 0.00 1.63 -1.99 0.42 116.57 115.67 2dmq h LYS 35 Ca 0.21 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2dmq h LYS 35 Cb 0.48 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2dmq h LYS 35 CO -0.92 -0.05 0.55 -0.44 -3.45 0.00 0.00 179.45 175.14 2dmq h ASP 36 N -0.08 0.99 0.44 4.20 3.32 -1.18 -0.57 116.42 123.55 2dmq h ASP 36 Ca 0.30 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2dmq h ASP 36 Cb 0.58 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2dmq h ASP 36 CO -0.84 0.74 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.13 2dmq h LEU 37 N 1.16 -0.52 -1.62 1.55 3.38 0.18 0.11 115.31 119.55 2dmq h LEU 37 Ca 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2dmq h LEU 37 Cb -0.11 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2dmq h LEU 37 CO -0.06 -0.36 0.21 0.07 0.09 0.00 0.00 178.44 178.39 2dmq h LYS 38 N -0.60 0.46 -0.21 1.13 2.10 -0.45 -0.49 116.57 118.52 2dmq h LYS 38 Ca -0.06 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 58.40 2dmq h LYS 38 Cb 0.46 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2dmq h LYS 38 CO 0.09 0.32 -0.53 1.96 -2.00 0.00 0.00 179.45 179.29 2dmq h GLN 39 N 0.48 0.62 -0.23 0.07 1.08 -0.69 -3.21 115.11 113.23 2dmq h GLN 39 Ca 0.13 -0.39 -0.17 0.00 -1.45 0.00 0.00 58.65 56.77 2dmq h GLN 39 Cb -0.02 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2dmq h GLN 39 CO -0.02 1.00 -0.52 -0.07 -0.95 0.00 0.00 178.83 178.26 2dmq h LEU 40 N 0.48 0.85 -1.34 1.46 3.38 0.01 -2.85 115.31 117.30 2dmq h LEU 40 Ca 0.01 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2dmq h LEU 40 Cb 1.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dmq h LEU 40 CO 0.10 1.25 0.61 0.00 0.09 0.00 0.00 178.44 180.50 2dmq h ALA 41 N 0.62 1.74 0.00 1.53 0.00 -1.12 -0.09 119.26 121.94 2dmq h ALA 41 Ca -0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2dmq h ALA 41 Cb 1.13 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2dmq h ALA 41 CO 0.11 -0.67 -1.85 1.04 0.00 0.00 0.00 179.25 177.89 2dmq n GLN 42 N -2.90 0.57 0.14 0.00 1.13 -1.14 -1.04 117.38 114.14 2dmq n GLN 42 Ca 0.02 0.39 0.19 0.00 -1.94 0.00 0.00 57.00 55.65 2dmq n GLN 42 Cb 0.68 -1.59 0.76 0.00 0.11 0.00 0.00 30.24 30.20 2dmq n GLN 42 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2dmq h LYS 43 N -1.00 0.00 0.00 -1.09 1.57 -0.96 -2.66 116.57 112.43 2dmq h LYS 43 Ca -0.48 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.14 2dmq h LYS 43 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2dmq h LYS 43 CO -0.29 0.00 -1.61 0.25 -0.57 0.00 0.00 179.45 177.23 2dmq n THR 44 N -3.61 0.61 0.00 -0.16 -2.24 -0.18 -4.79 114.28 103.91 2dmq n THR 44 Ca 0.05 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2dmq n THR 44 Cb 0.56 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 2.86 3.06 2.26 3.38 0.00 -0.20 -4.80 105.19 111.74 2dmq n GLY 45 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -4.72 0.99 4.77 -1.14 -4.85 117.00 112.05 2dmq n LEU 46 Ca 0.00 -0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 55.02 2dmq n LEU 46 Cb 0.00 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 2dmq n LEU 46 CO 0.00 -2.17 -0.29 0.28 -1.33 0.00 0.00 177.39 173.88 2dmq s THR 47 N -2.00 4.13 0.21 -5.08 -1.32 -1.26 -4.54 115.64 105.78 2dmq s THR 47 Ca 0.47 -1.10 -0.19 0.00 -1.21 0.00 0.00 61.69 59.66 2dmq s THR 47 Cb -0.07 -3.04 0.18 0.00 -1.51 0.00 0.00 72.50 68.07 2dmq s THR 47 CO 0.38 0.00 1.50 1.17 -2.21 0.00 0.00 174.62 175.46 2dmq n LYS 48 N 0.13 -0.26 0.07 7.08 4.81 -1.26 -1.00 118.16 127.72 2dmq n LYS 48 Ca -0.10 1.48 -0.13 0.00 -0.87 0.00 0.00 58.31 58.69 2dmq n LYS 48 Cb 0.53 -2.20 -0.08 0.00 0.02 0.00 0.00 35.03 33.30 2dmq n LYS 48 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2dmq h ARG 49 N 0.00 -0.57 -0.88 1.64 9.65 -1.98 0.18 114.38 122.41 2dmq h ARG 49 Ca 0.31 0.04 0.24 0.00 -1.10 0.00 0.00 59.98 59.46 2dmq h ARG 49 Cb 0.55 0.13 -0.14 0.00 -1.39 0.00 0.00 29.97 29.12 2dmq h ARG 49 CO -0.95 -0.38 0.28 0.28 2.80 0.00 0.00 179.97 182.01 2dmq h VAL 50 N -0.59 0.35 0.67 0.20 2.07 -1.47 -0.88 116.25 116.60 2dmq h VAL 50 Ca 0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2dmq h VAL 50 Cb 0.61 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2dmq h VAL 50 CO -0.27 0.05 -0.32 -0.07 0.02 0.00 0.00 177.57 176.97 2dmq h LEU 51 N 0.25 -0.77 -0.76 2.57 3.38 -0.11 -1.03 115.31 118.85 2dmq h LEU 51 Ca 0.56 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.67 2dmq h LEU 51 Cb 1.13 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 2dmq h LEU 51 CO -0.62 -0.43 -0.21 1.56 0.09 0.00 0.00 178.44 178.82 2dmq h GLN 52 N -1.11 -0.02 0.44 1.13 1.08 0.35 -0.17 115.11 116.81 2dmq h GLN 52 Ca -0.09 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2dmq h GLN 52 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2dmq h GLN 52 CO 0.15 -0.01 -0.21 0.28 -0.95 0.00 0.00 178.83 178.09 2dmq h VAL 53 N -0.02 0.00 -0.92 -0.54 2.07 -1.18 -1.84 116.25 113.82 2dmq h VAL 53 Ca 0.35 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 68.00 2dmq h VAL 53 Cb 0.56 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.17 2dmq h VAL 53 CO -0.79 0.00 -0.30 1.87 0.02 0.00 0.00 177.57 178.37 2dmq n TRP 54 N -3.70 0.17 -0.10 1.57 -0.00 -0.39 0.68 117.44 115.67 2dmq n TRP 54 Ca -0.07 1.13 -0.07 0.00 -0.00 0.00 0.00 57.50 58.49 2dmq n TRP 54 Cb 0.23 -0.93 0.01 0.00 -0.00 0.00 0.00 31.31 30.62 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 0.20 -0.89 5.87 -1.00 -1.02 -1.81 116.94 118.29 2dmq h PHE 55 Ca 0.38 0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.21 2dmq h PHE 55 Cb 0.61 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.08 2dmq h PHE 55 CO -0.76 0.08 0.58 1.96 -1.61 0.00 0.00 178.31 178.56 2dmq h GLN 56 N 0.25 1.08 -0.80 1.51 4.20 0.11 -2.01 115.11 119.46 2dmq h GLN 56 Ca 0.15 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2dmq h GLN 56 Cb 0.13 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2dmq h GLN 56 CO -0.16 0.71 0.36 -0.91 -0.67 0.00 0.00 178.83 178.16 2dmq h ASN 57 N 1.11 1.06 0.31 1.46 2.35 -0.03 -3.16 115.58 118.69 2dmq h ASN 57 Ca 0.35 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2dmq h ASN 57 Cb 0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 2dmq h ASN 57 CO -0.11 0.92 -0.44 0.00 -1.65 0.00 0.00 177.43 176.16 2dmq h ALA 58 N 1.19 -1.04 -1.07 -0.83 0.00 -0.60 -0.35 119.26 116.56 2dmq h ALA 58 Ca 0.27 -0.14 0.40 0.00 0.00 0.00 0.00 54.91 55.44 2dmq h ALA 58 Cb 0.16 0.72 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 2dmq h ALA 58 CO -0.03 -1.09 0.62 0.00 0.00 0.00 0.00 179.25 178.74 2dmq h ARG 59 N -0.78 0.10 -0.16 0.00 3.08 -1.50 0.77 114.38 115.89 2dmq h ARG 59 Ca -0.04 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2dmq h ARG 59 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2dmq h ARG 59 CO -0.12 0.06 -0.29 0.00 -1.07 0.00 0.00 179.97 178.55 2dmq h ALA 60 N 1.88 0.25 0.46 0.04 0.00 -1.31 -2.83 119.26 117.74 2dmq h ALA 60 Ca 0.82 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2dmq h ALA 60 Cb 2.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2dmq h ALA 60 CO -0.66 0.26 -0.22 -0.22 0.00 0.00 0.00 179.25 178.41 2dmq h LYS 61 N 0.10 -0.60 -0.60 0.00 3.64 0.20 -3.18 116.57 116.13 2dmq h LYS 61 Ca 0.01 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.55 2dmq h LYS 61 Cb 0.87 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.71 2dmq h LYS 61 CO 0.06 -0.31 -0.21 0.35 -2.27 0.00 0.00 179.45 177.07 2dmq h PHE 62 N -0.82 -0.52 -0.97 1.91 3.04 -0.63 0.38 116.94 119.34 2dmq h PHE 62 Ca -0.06 0.06 0.28 0.00 3.98 0.00 0.00 57.97 62.23 2dmq h PHE 62 Cb 0.56 0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 2dmq h PHE 62 CO -0.00 -0.31 1.18 0.00 -2.02 0.00 0.00 178.31 177.16 2dmq h ARG 63 N -0.06 0.00 0.00 1.11 3.08 -1.47 0.73 114.38 117.76 2dmq h ARG 63 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2dmq h ARG 63 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2dmq h ARG 63 CO -0.65 0.00 -0.02 -0.09 -1.07 0.00 0.00 179.97 178.14 2dmq h ARG 64 N 0.00 0.00 0.00 0.04 2.43 -0.33 -3.27 114.38 113.25 2dmq h ARG 64 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dmq h ARG 64 Cb 2.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.36 2dmq h ARG 64 CO -0.00 0.26 0.00 0.27 -1.51 0.00 0.00 179.97 178.98 2dmq n ASN 65 N -4.73 0.48 -0.05 -3.80 2.04 0.98 -2.27 115.26 107.91 2dmq n ASN 65 Ca -0.03 0.62 -0.15 0.00 -0.44 0.00 0.00 54.58 54.59 2dmq n ASN 65 Cb 0.13 -0.73 -0.07 0.00 -2.53 0.00 0.00 39.78 36.59 2dmq n ASN 65 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 2dmq h LEU 66 N 0.00 0.60 0.03 -4.53 5.85 0.15 -3.26 115.31 114.15 2dmq h LEU 66 Ca 0.00 -0.56 -0.23 0.00 0.84 0.00 0.00 57.88 57.93 2dmq h LEU 66 Cb 0.31 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2dmq h LEU 66 CO 0.00 1.05 -1.10 0.17 -0.34 0.00 0.00 178.44 178.22 2dmq h LEU 67 N 0.18 0.09-10.15 2.25 8.10 -1.56 -3.47 115.31 110.75 2dmq h LEU 67 Ca 0.00 -0.10 -0.54 0.00 0.11 0.00 0.00 57.88 57.35 2dmq h LEU 67 Cb 0.96 -0.03 0.19 0.00 -0.44 0.00 0.00 40.66 41.34 2dmq h LEU 67 CO 0.08 1.08 0.23 -1.14 -4.11 0.00 0.00 178.44 174.58 2dmq n ARG 68 N -3.37 0.10 -0.38 0.17 3.00 -0.96 -4.88 116.66 110.34 2dmq n ARG 68 Ca -0.03 0.11 -0.06 0.00 -0.00 0.00 0.00 57.85 57.87 2dmq n ARG 68 Cb 0.97 -2.37 -0.02 0.00 0.00 0.00 0.00 32.46 31.04 2dmq n ARG 68 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2dmq h GLN 69 N -1.01 -0.03 -5.94 -0.14 4.15 -1.90 -3.41 115.11 106.84 2dmq h GLN 69 Ca -0.46 0.00 -0.76 0.00 0.77 0.00 0.00 58.65 58.20 2dmq h GLN 69 Cb 1.30 0.01 0.06 0.00 0.21 0.00 0.00 27.48 29.05 2dmq h GLN 69 CO 0.45 -0.02 -0.03 0.39 -1.93 0.00 0.00 178.83 177.69 2dmq n GLU 70 N -5.38 0.00 -3.58 1.69 -0.58 -1.26 -4.94 120.64 106.59 2dmq n GLU 70 Ca 0.06 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.73 2dmq n GLU 70 Cb 0.34 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.76 2dmq n GLU 70 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2dmq s ASN 71 N -0.15 -0.25 0.47 1.62 3.84 -1.26 -4.72 114.94 114.49 2dmq s ASN 71 Ca 0.86 0.19 0.06 0.00 0.21 0.00 0.00 52.86 54.18 2dmq s ASN 71 Cb -1.21 0.22 0.06 0.00 -0.55 0.00 0.00 41.25 39.78 2dmq s ASN 71 CO 0.56 -0.29 0.50 0.61 -2.79 0.00 0.00 177.10 175.68 2dmq n GLY 72 N 0.38 2.40 1.24 1.21 0.00 -1.26 -5.04 105.19 104.12 2dmq n GLY 72 Ca -0.06 -2.25 0.16 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.71 -2.73 3.63 -0.02 0.00 -1.26 -4.72 105.19 99.38 2dmq n GLY 73 Ca 0.05 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2dmq n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmq s VAL 74 N -3.33 4.77 0.09 1.61 1.01 -1.26 -5.02 120.40 118.27 2dmq s VAL 74 Ca 0.00 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 2dmq s VAL 74 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2dmq s VAL 74 CO 0.00 -0.21 0.20 -0.55 0.00 0.00 0.00 175.10 174.54 2dmq s SER 75 N 1.51 0.09 0.00 3.32 0.15 -1.26 -5.17 113.70 112.34 2dmq s SER 75 Ca 0.35 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2dmq s SER 75 Cb -0.14 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2dmq s SER 75 CO 0.11 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2dmq n GLY 76 N -0.01 1.70 0.16 9.45 0.00 -1.26 -5.02 105.19 110.21 2dmq n GLY 76 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2dmq n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmq h PRO 77 N 0.00 0.02 -5.00 1.61 0.13 -2.06 -3.46 132.00 123.24 2dmq h PRO 77 Ca 0.00 -0.01 -0.72 0.00 -0.87 0.00 0.00 66.00 64.40 2dmq h PRO 77 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2dmq h PRO 77 CO 0.00 0.50 0.48 -1.13 -0.23 0.00 0.00 178.00 177.62 2dmq n SER 78 N -3.96 0.83 -4.17 1.44 3.41 -1.26 -4.55 113.62 105.35 2dmq n SER 78 Ca -0.02 0.99 -0.59 0.00 -0.26 0.00 0.00 58.87 58.99 2dmq n SER 78 Cb 0.50 -0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 2dmq n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmq n SER 79 N 2.96 0.85 0.00 4.04 2.88 -1.26 -5.18 113.62 117.92 2dmq n SER 79 Ca 0.24 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2dmq n SER 79 Cb -0.03 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2dmq n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42