#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 5.39 0.28 1.61 1.04 -1.26 -5.12 113.70 115.64 2dmq s SER 2 Ca 0.00 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 2dmq s SER 2 Cb 0.00 -1.41 -0.06 0.00 0.10 0.00 0.00 66.02 64.65 2dmq s SER 2 CO 0.00 0.17 0.57 -0.94 0.98 0.00 0.00 173.24 174.02 2dmq s SER 3 N -2.35 6.52 0.00 7.02 1.04 -1.26 -5.08 113.70 119.58 2dmq s SER 3 Ca 0.28 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2dmq s SER 3 Cb -0.12 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2dmq s SER 3 CO 0.21 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2dmq n GLY 4 N -0.67 1.03 3.15 7.32 0.00 -1.26 -4.98 105.19 109.78 2dmq n GLY 4 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2dmq n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmq n SER 5 N 0.00 -4.16 -2.60 1.61 2.88 -1.26 -4.91 113.62 105.19 2dmq n SER 5 Ca 0.00 -0.47 -0.30 0.00 -1.33 0.00 0.00 58.87 56.77 2dmq n SER 5 Cb 0.00 -4.29 -0.04 0.00 -0.75 0.00 0.00 64.21 59.13 2dmq n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dmq n SER 6 N -2.46 6.70 -2.71 -3.46 2.88 -1.26 -4.57 113.62 108.74 2dmq n SER 6 Ca -0.09 -3.33 -0.04 0.00 -1.33 0.00 0.00 58.87 54.08 2dmq n SER 6 Cb 0.59 -1.20 0.03 0.00 -0.75 0.00 0.00 64.21 62.87 2dmq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmq n GLY 7 N 0.62 -1.22 0.04 0.46 0.00 -1.26 -4.99 105.19 98.84 2dmq n GLY 7 Ca 0.50 0.93 0.08 0.00 0.00 0.00 0.00 46.02 47.53 2dmq n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dmq n LYS 8 N 2.67 0.05 -3.96 1.61 2.85 -1.26 -4.21 118.16 115.91 2dmq n LYS 8 Ca 0.14 0.32 -0.31 0.00 -1.05 0.00 0.00 58.31 57.42 2dmq n LYS 8 Cb 0.62 -1.61 -0.15 0.00 -0.65 0.00 0.00 35.03 33.24 2dmq n LYS 8 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2dmq s ARG 9 N -3.10 1.53 0.37 -1.58 3.03 -1.26 -5.09 118.95 112.85 2dmq s ARG 9 Ca 0.05 -2.00 0.04 0.00 2.03 0.00 0.00 55.73 55.85 2dmq s ARG 9 Cb 0.09 -3.09 -0.02 0.00 -1.03 0.00 0.00 34.95 30.90 2dmq s ARG 9 CO 0.27 -1.00 0.15 0.00 -1.13 0.00 0.00 175.30 173.60 2dmq n MET 10 N 3.98 0.58 -0.83 3.89 0.00 -1.26 -5.04 117.12 118.44 2dmq n MET 10 Ca 0.04 -3.17 -0.04 0.00 0.00 0.00 0.00 57.70 54.54 2dmq n MET 10 Cb 0.39 1.83 0.26 0.00 0.00 0.00 0.00 33.22 35.71 2dmq n MET 10 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2dmq n ARG 11 N -0.81 3.37 -1.13 3.17 -4.01 -1.26 -4.83 116.66 111.15 2dmq n ARG 11 Ca -0.04 -2.51 -0.39 0.00 -1.04 0.00 0.00 57.85 53.87 2dmq n ARG 11 Cb 0.56 -2.06 -0.08 0.00 -3.04 0.00 0.00 32.46 27.84 2dmq n ARG 11 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2dmq n THR 12 N 0.01 1.11 -2.27 8.89 5.66 -1.26 -4.87 114.28 121.55 2dmq n THR 12 Ca 0.32 -1.02 -0.41 0.00 -3.05 0.00 0.00 64.05 59.89 2dmq n THR 12 Cb 1.18 -2.17 -0.03 0.00 -1.55 0.00 0.00 70.33 67.77 2dmq n THR 12 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dmq s SER 13 N 6.17 5.91 0.72 1.09 1.04 -1.26 -4.98 113.70 122.39 2dmq s SER 13 Ca 0.65 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 2dmq s SER 13 Cb 0.11 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.72 2dmq s SER 13 CO 0.20 -1.86 1.15 -0.36 0.98 0.00 0.00 173.24 173.35 2dmq s PHE 14 N 6.80 2.30 0.66 5.02 0.08 -1.26 -5.02 117.98 126.56 2dmq s PHE 14 Ca 0.59 1.60 -0.11 0.00 0.12 0.00 0.00 56.93 59.13 2dmq s PHE 14 Cb -0.13 -3.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.03 2dmq s PHE 14 CO 0.25 -2.16 1.04 0.15 -0.10 0.00 0.00 175.22 174.40 2dmq s LYS 15 N -4.16 3.15 0.42 0.44 -0.14 -1.26 -4.98 119.74 113.21 2dmq s LYS 15 Ca 0.69 0.51 0.22 0.00 -1.36 0.00 0.00 55.97 56.03 2dmq s LYS 15 Cb -0.24 -2.08 0.37 0.00 -1.68 0.00 0.00 37.83 34.21 2dmq s LYS 15 CO 0.46 -0.81 1.61 0.45 -0.76 0.00 0.00 175.35 176.30 2dmq h HIS 16 N -0.46 0.00 0.08 3.18 3.86 -1.99 -3.04 115.15 116.79 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 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2dmq h HIS 16 CO 0.56 0.10 -0.04 0.45 0.86 0.00 0.00 177.93 179.86 2dmq h HIS 17 N 0.00 -0.10 -0.38 2.45 3.86 -2.00 -2.77 115.15 116.21 2dmq h HIS 17 Ca -0.00 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2dmq h HIS 17 Cb 1.03 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.46 2dmq h HIS 17 CO 0.00 -0.06 -0.16 -0.56 0.86 0.00 0.00 177.93 178.01 2dmq h GLN 18 N -0.28 -0.08 -0.56 2.45 3.07 -1.87 -1.62 115.11 116.21 2dmq h GLN 18 Ca -0.01 0.01 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2dmq h GLN 18 Cb 0.09 0.02 -0.10 0.00 0.08 0.00 0.00 27.48 27.57 2dmq h GLN 18 CO 0.02 -0.06 -0.05 -0.07 0.09 0.00 0.00 178.83 178.76 2dmq h LEU 19 N -0.09 -0.34 -1.19 0.06 3.38 -1.68 0.77 115.31 116.22 2dmq h LEU 19 Ca 0.19 0.15 0.37 0.00 0.09 0.00 0.00 57.88 58.67 2dmq h LEU 19 Cb 0.37 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 2dmq h LEU 19 CO -0.44 -0.13 0.68 -0.09 0.09 0.00 0.00 178.44 178.55 2dmq h ARG 20 N 0.07 0.20 -0.13 1.13 9.65 -0.99 0.59 114.38 124.91 2dmq h ARG 20 Ca 0.28 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.00 2dmq h ARG 20 Cb 0.45 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2dmq h ARG 20 CO -0.51 0.13 -0.52 1.15 2.80 0.00 0.00 179.97 183.02 2dmq h THR 21 N 0.21 1.34 0.51 0.20 2.02 -0.83 -2.58 112.91 113.78 2dmq h THR 21 Ca 0.76 -1.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 2dmq h THR 21 Cb 2.04 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.55 2dmq h THR 21 CO -0.52 0.55 -0.24 0.24 0.37 0.00 0.00 175.52 175.91 2dmq h MET 22 N 0.22 -0.65 -0.48 6.66 2.86 0.30 -2.66 114.93 121.18 2dmq h MET 22 Ca -0.03 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2dmq h MET 22 Cb 1.15 0.15 -0.09 0.00 0.06 0.00 0.00 31.60 32.86 2dmq h MET 22 CO 0.11 -0.35 -0.15 0.87 1.06 0.00 0.00 176.91 178.45 2dmq h LYS 23 N -1.01 -0.04 -0.89 1.72 1.57 -0.47 0.12 116.57 117.57 2dmq h LYS 23 Ca -0.07 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2dmq h LYS 23 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 2dmq h LYS 23 CO 0.11 -0.03 0.58 1.03 -0.57 0.00 0.00 179.45 180.57 2dmq h SER 24 N -0.04 0.63 -0.38 0.86 0.87 -1.49 -0.92 113.55 113.07 2dmq h SER 24 Ca 0.23 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 2dmq h SER 24 Cb 0.39 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2dmq h SER 24 CO -0.51 0.31 -0.10 0.22 -0.53 0.00 0.00 176.83 176.21 2dmq h TYR 25 N 0.66 0.84 -1.19 2.24 5.03 -0.44 -2.96 116.97 121.15 2dmq h TYR 25 Ca 0.45 -0.18 0.37 0.00 2.58 0.00 0.00 58.73 61.95 2dmq h TYR 25 Cb 0.77 -0.20 -0.12 0.00 1.55 0.00 0.00 36.73 38.73 2dmq h TYR 25 CO -0.00 0.89 0.76 0.35 -1.32 0.00 0.00 178.16 178.84 2dmq h PHE 26 N 0.55 0.59 -0.20 -3.82 3.57 -0.08 0.79 116.94 118.33 2dmq h PHE 26 Ca 0.10 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.42 2dmq h PHE 26 Cb 0.63 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2dmq h PHE 26 CO 0.05 -0.12 -0.67 0.00 -2.23 0.00 0.00 178.31 175.35 2dmq h ALA 27 N 1.63 0.42 0.11 2.41 0.00 -1.51 -3.31 119.26 119.01 2dmq h ALA 27 Ca 0.73 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dmq h ALA 27 Cb 2.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2dmq h ALA 27 CO -0.39 0.69 -0.05 0.82 0.00 0.00 0.00 179.25 180.31 2dmq h ILE 28 N 0.57 1.09 -3.89 0.00 2.04 0.42 -3.46 117.51 114.28 2dmq h ILE 28 Ca -0.02 -0.97 -0.22 0.00 1.00 0.00 0.00 64.86 64.65 2dmq h ILE 28 Cb 1.28 1.68 -0.24 0.00 -0.74 0.00 0.00 36.82 38.80 2dmq h ILE 28 CO 0.14 0.23 -0.72 0.21 0.00 0.00 0.00 178.15 178.01 2dmq s ASN 29 N -5.47 0.30 -0.27 1.72 2.47 0.55 -5.06 114.94 109.17 2dmq s ASN 29 Ca -0.15 -0.29 -0.10 0.00 0.42 0.00 0.00 52.86 52.74 2dmq s ASN 29 Cb 0.02 0.04 -0.14 0.00 -1.45 0.00 0.00 41.25 39.71 2dmq s ASN 29 CO 0.60 -0.14 -0.28 1.41 -3.72 0.00 0.00 177.10 174.97 2dmq n HIS 30 N 2.23 0.08 -3.55 0.43 8.25 -1.26 -3.95 115.22 117.46 2dmq n HIS 30 Ca -0.18 0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 2dmq n HIS 30 Cb 0.57 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.62 2dmq n HIS 30 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2dmq s ASN 31 N -7.21 6.36 0.62 0.41 0.01 -1.26 -5.02 114.94 108.85 2dmq s ASN 31 Ca -0.37 -3.64 -0.16 0.00 -0.71 0.00 0.00 52.86 47.97 2dmq s ASN 31 Cb 0.13 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 2dmq s ASN 31 CO 0.53 -0.23 1.12 -2.16 -1.51 0.00 0.00 177.10 174.85 2dmq s PRO 32 N -1.25 2.99 0.30 -0.60 0.04 -1.26 -5.05 135.00 130.16 2dmq s PRO 32 Ca 0.28 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2dmq s PRO 32 Cb -0.08 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2dmq s PRO 32 CO -0.11 -1.11 0.45 -0.51 0.04 0.00 0.00 177.00 175.76 2dmq s ASP 33 N -2.31 6.24 0.27 6.66 1.01 -1.26 -4.86 116.67 122.41 2dmq s ASP 33 Ca 0.69 0.17 0.03 0.00 0.71 0.00 0.00 52.55 54.15 2dmq s ASP 33 Cb -0.22 -1.81 0.68 0.00 1.01 0.00 0.00 42.92 42.58 2dmq s ASP 33 CO 0.37 -0.23 1.32 0.00 0.21 0.00 0.00 175.17 176.84 2dmq n ALA 34 N -1.60 0.46 -0.08 5.23 0.00 -1.26 0.14 120.51 123.39 2dmq n ALA 34 Ca -0.06 0.90 -0.07 0.00 0.00 0.00 0.00 53.44 54.21 2dmq n ALA 34 Cb 0.57 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2dmq n ALA 34 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dmq h LYS 35 N 0.00 0.18 -0.48 0.00 1.63 -2.00 -0.51 116.57 115.40 2dmq h LYS 35 Ca 0.53 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.27 2dmq h LYS 35 Cb 1.11 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 2dmq h LYS 35 CO -0.78 0.12 0.10 -0.44 -3.45 0.00 0.00 179.45 175.00 2dmq h ASP 36 N 0.19 0.67 0.33 4.20 3.32 0.79 -1.80 116.42 124.13 2dmq h ASP 36 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2dmq h ASP 36 Cb 0.14 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2dmq h ASP 36 CO -0.18 0.68 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.79 2dmq h LEU 37 N 0.70 -0.38 -1.21 1.55 3.38 -0.25 -2.03 115.31 117.07 2dmq h LEU 37 Ca 0.16 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2dmq h LEU 37 Cb 0.28 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2dmq h LEU 37 CO -0.00 -0.12 0.55 0.07 0.09 0.00 0.00 178.44 179.03 2dmq h LYS 38 N -0.63 0.97 -0.29 1.13 2.10 -1.02 -0.22 116.57 118.60 2dmq h LYS 38 Ca -0.05 -0.06 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 2dmq h LYS 38 Cb 0.45 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 2dmq h LYS 38 CO 0.07 0.64 -0.00 1.96 -2.00 0.00 0.00 179.45 180.12 2dmq h GLN 39 N 1.00 0.45 0.00 0.07 1.08 -1.18 -2.32 115.11 114.20 2dmq h GLN 39 Ca 0.35 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 57.31 2dmq h GLN 39 Cb 0.11 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2dmq h GLN 39 CO -0.11 0.48 -0.76 -0.07 -0.95 0.00 0.00 178.83 177.41 2dmq h LEU 40 N 0.43 0.00 -2.43 1.46 3.38 -0.46 -2.98 115.31 114.71 2dmq h LEU 40 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2dmq h LEU 40 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dmq h LEU 40 CO 0.01 0.70 -0.02 0.00 0.09 0.00 0.00 178.44 179.21 2dmq h ALA 41 N 1.30 1.38 0.02 1.53 0.00 -0.51 -1.41 119.26 121.58 2dmq h ALA 41 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.50 2dmq h ALA 41 Cb 1.55 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2dmq h ALA 41 CO 0.09 0.03 -2.01 1.04 0.00 0.00 0.00 179.25 178.40 2dmq n GLN 42 N -3.67 0.62 0.04 0.00 6.02 -1.20 -1.19 117.38 118.00 2dmq n GLN 42 Ca -0.03 0.36 0.18 0.00 -0.01 0.00 0.00 57.00 57.50 2dmq n GLN 42 Cb 0.11 -1.62 0.68 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.70 0.00 0.00 -1.09 1.57 -1.37 -2.79 116.57 112.19 2dmq h LYS 43 Ca -0.52 -0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.00 2dmq h LYS 43 Cb 1.61 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 2dmq h LYS 43 CO -0.23 0.00 -1.96 0.25 -0.57 0.00 0.00 179.45 176.94 2dmq n THR 44 N -4.41 0.97 0.00 -0.16 -2.24 -0.55 -4.88 114.28 103.02 2dmq n THR 44 Ca 0.08 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2dmq n THR 44 Cb 0.52 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 2.35 1.79 3.69 3.38 0.00 -0.34 -4.79 105.19 111.28 2dmq n GLY 45 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 1.26 0.44 0.99 1.43 -0.99 -4.85 118.68 116.96 2dmq s LEU 46 Ca 0.00 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 2dmq s LEU 46 Cb 0.00 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2dmq s LEU 46 CO 0.00 -3.81 0.49 0.28 0.23 0.00 0.00 176.35 173.54 2dmq s THR 47 N -3.29 2.64 0.12 5.49 -1.32 -1.26 -4.38 115.64 113.63 2dmq s THR 47 Ca 0.73 -1.20 -0.31 0.00 -1.21 0.00 0.00 61.69 59.69 2dmq s THR 47 Cb -0.07 -2.84 -0.09 0.00 -1.51 0.00 0.00 72.50 67.99 2dmq s THR 47 CO 0.55 0.00 1.57 0.50 -2.21 0.00 0.00 174.62 175.03 2dmq h LYS 48 N 0.79 -0.56 -0.10 7.08 1.63 -1.94 -1.18 116.57 122.28 2dmq h LYS 48 Ca -0.39 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.46 2dmq h LYS 48 Cb 1.28 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 33.00 2dmq h LYS 48 CO 0.51 -0.37 -0.30 -0.09 -3.45 0.00 0.00 179.45 175.75 2dmq h ARG 49 N -0.58 -0.30 -0.96 1.90 2.43 -1.98 0.52 114.38 115.42 2dmq h ARG 49 Ca 0.05 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.54 2dmq h ARG 49 Cb 0.67 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 30.13 2dmq h ARG 49 CO -0.37 -0.20 0.32 0.28 -1.51 0.00 0.00 179.97 178.49 2dmq h VAL 50 N -0.31 0.17 -0.05 0.20 2.07 -1.91 1.21 116.25 117.64 2dmq h VAL 50 Ca 0.02 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2dmq h VAL 50 Cb 0.37 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2dmq h VAL 50 CO -0.26 0.02 -0.62 -0.07 0.02 0.00 0.00 177.57 176.67 2dmq h LEU 51 N 0.14 0.19 0.35 2.57 3.38 0.11 -2.63 115.31 119.42 2dmq h LEU 51 Ca 0.66 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2dmq h LEU 51 Cb 1.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2dmq h LEU 51 CO -0.74 0.76 -0.17 1.56 0.09 0.00 0.00 178.44 179.95 2dmq h GLN 52 N 0.12 -0.46 0.40 1.13 4.20 0.64 -2.86 115.11 118.28 2dmq h GLN 52 Ca -0.01 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2dmq h GLN 52 Cb 1.12 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2dmq h GLN 52 CO 0.09 -0.14 -0.35 0.28 -0.67 0.00 0.00 178.83 178.04 2dmq h VAL 53 N -0.91 0.00 -0.87 -0.54 2.07 -0.90 -0.14 116.25 114.96 2dmq h VAL 53 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2dmq h VAL 53 Cb 0.53 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 2dmq h VAL 53 CO 0.08 0.00 -0.52 1.87 0.02 0.00 0.00 177.57 179.02 2dmq n TRP 54 N -4.54 -0.38 0.02 1.57 -0.00 -0.99 -0.25 117.44 112.86 2dmq n TRP 54 Ca -0.09 1.09 -0.10 0.00 -0.00 0.00 0.00 57.50 58.40 2dmq n TRP 54 Cb 0.33 -0.57 -0.04 0.00 -0.00 0.00 0.00 31.31 31.04 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 -0.66 -0.98 5.87 -1.00 -1.42 -0.45 116.94 118.30 2dmq h PHE 55 Ca 0.14 0.03 0.23 0.00 2.81 0.00 0.00 57.97 61.17 2dmq h PHE 55 Cb 0.36 0.30 -0.09 0.00 3.61 0.00 0.00 35.95 40.13 2dmq h PHE 55 CO -0.98 -0.33 0.63 1.96 -1.61 0.00 0.00 178.31 177.98 2dmq h GLN 56 N -0.33 0.48 0.00 1.51 4.20 0.10 0.45 115.11 121.52 2dmq h GLN 56 Ca 0.09 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2dmq h GLN 56 Cb 0.46 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2dmq h GLN 56 CO -0.28 0.32 -0.63 -0.91 -0.67 0.00 0.00 178.83 176.66 2dmq h ASN 57 N 0.49 0.00 -0.19 1.46 2.35 0.80 -3.23 115.58 117.26 2dmq h ASN 57 Ca 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.28 2dmq h ASN 57 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 2dmq h ASN 57 CO -0.28 0.63 0.04 0.00 -1.65 0.00 0.00 177.43 176.17 2dmq h ALA 58 N 1.37 0.24 -0.93 -0.83 0.00 0.14 -2.72 119.26 116.54 2dmq h ALA 58 Ca -0.01 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2dmq h ALA 58 Cb 1.19 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2dmq h ALA 58 CO 0.08 -0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.83 2dmq h ARG 59 N 0.11 0.90 -0.50 0.00 2.47 -1.44 -1.30 114.38 114.61 2dmq h ARG 59 Ca 0.06 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2dmq h ARG 59 Cb 0.28 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2dmq h ARG 59 CO 0.00 0.60 0.21 0.00 0.56 0.00 0.00 179.97 181.34 2dmq h ALA 60 N 1.54 0.65 0.62 0.04 0.00 -1.54 -2.14 119.26 118.43 2dmq h ALA 60 Ca 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2dmq h ALA 60 Cb 0.42 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dmq h ALA 60 CO -0.20 0.25 -0.30 -0.22 0.00 0.00 0.00 179.25 178.78 2dmq h LYS 61 N 0.67 -0.80 -0.70 0.00 3.64 -0.99 -2.78 116.57 115.61 2dmq h LYS 61 Ca 0.17 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.76 2dmq h LYS 61 Cb 0.18 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.06 2dmq h LYS 61 CO -0.02 -0.49 0.02 0.35 -2.27 0.00 0.00 179.45 177.05 2dmq h PHE 62 N -0.98 -0.02 -0.47 1.91 3.04 -1.28 -0.10 116.94 119.04 2dmq h PHE 62 Ca -0.08 0.05 0.09 0.00 3.98 0.00 0.00 57.97 62.01 2dmq h PHE 62 Cb 0.68 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.23 2dmq h PHE 62 CO -0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 178.31 176.09 2dmq h ARG 63 N 0.12 0.12 -0.73 1.11 3.08 -1.31 -2.23 114.38 114.53 2dmq h ARG 63 Ca 0.38 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.54 2dmq h ARG 63 Cb 0.65 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 2dmq h ARG 63 CO -0.60 0.08 -0.38 -0.09 -1.07 0.00 0.00 179.97 177.91 2dmq h ARG 64 N 0.12 -0.11 -0.96 0.04 2.43 -0.72 0.01 114.38 115.18 2dmq h ARG 64 Ca 0.24 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.56 2dmq h ARG 64 Cb 0.35 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.76 2dmq h ARG 64 CO -0.39 -0.07 -0.39 -0.97 -1.51 0.00 0.00 179.97 176.64 2dmq h ASN 65 N -0.12 -1.42 -0.85 -3.80 -0.73 -1.34 0.82 115.58 108.14 2dmq h ASN 65 Ca 0.26 0.31 0.07 0.00 1.87 0.00 0.00 56.30 58.80 2dmq h ASN 65 Cb 0.56 0.75 -0.06 0.00 0.27 0.00 0.00 38.32 39.84 2dmq h ASN 65 CO -0.79 -0.29 0.52 -0.07 -0.37 0.00 0.00 177.43 176.43 2dmq h LEU 66 N -0.01 0.81 -0.68 0.34 4.07 -1.06 0.67 115.31 119.46 2dmq h LEU 66 Ca 0.34 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.32 2dmq h LEU 66 Cb 0.59 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2dmq h LEU 66 CO -0.97 0.51 0.00 -0.07 -1.08 0.00 0.00 178.44 176.83 2dmq h LEU 67 N 0.94 0.00 -1.82 1.67 3.38 0.90 -3.47 115.31 116.92 2dmq h LEU 67 Ca 0.38 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.77 2dmq h LEU 67 Cb 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.77 2dmq h LEU 67 CO -0.19 0.00 -0.92 0.54 0.09 0.00 0.00 178.44 177.96 2dmq n ARG 68 N -2.52 -1.85 -0.01 1.13 1.74 0.16 -4.87 116.66 110.43 2dmq n ARG 68 Ca 0.03 0.22 -0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2dmq n ARG 68 Cb 0.31 -4.17 -0.06 0.00 -1.02 0.00 0.00 32.46 27.52 2dmq n ARG 68 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2dmq h GLN 69 N -1.66 -0.09 -6.69 5.56 1.08 -1.84 -3.47 115.11 108.00 2dmq h GLN 69 Ca -0.64 0.01 -0.48 0.00 -1.45 0.00 0.00 58.65 56.09 2dmq h GLN 69 Cb 1.39 0.02 0.04 0.00 -0.05 0.00 0.00 27.48 28.87 2dmq h GLN 69 CO 0.72 0.36 -0.08 -2.00 -0.95 0.00 0.00 178.83 176.87 2dmq s GLU 70 N -2.39 2.27 0.40 1.46 2.12 -1.26 -5.14 118.70 116.16 2dmq s GLU 70 Ca -0.10 -1.53 0.08 0.00 0.36 0.00 0.00 54.97 53.78 2dmq s GLU 70 Cb -0.01 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.72 2dmq s GLU 70 CO 0.37 -0.89 0.17 -0.80 -0.54 0.00 0.00 175.26 173.57 2dmq s ASN 71 N -4.65 4.45 0.00 -1.70 0.01 -1.26 -4.97 114.94 106.83 2dmq s ASN 71 Ca 0.62 -1.03 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 2dmq s ASN 71 Cb -0.06 -0.51 0.00 0.00 0.41 0.00 0.00 41.25 41.09 2dmq s ASN 71 CO 0.39 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 2dmq n GLY 72 N -1.22 -0.22 3.07 0.66 0.00 -1.26 -5.10 105.19 101.12 2dmq n GLY 72 Ca -0.01 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2dmq n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmq s GLY 73 N 0.00 1.36 -0.70 -0.02 0.00 -1.26 -5.07 107.32 101.64 2dmq s GLY 73 Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.45 2dmq s GLY 73 CO 0.00 0.47 0.53 0.14 0.00 0.00 0.00 173.10 174.23 2dmq s VAL 74 N 1.31 3.76 0.30 1.40 1.01 -1.26 -5.05 120.40 121.87 2dmq s VAL 74 Ca 0.01 -3.34 0.04 0.00 0.00 0.00 0.00 61.98 58.69 2dmq s VAL 74 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2dmq s VAL 74 CO -0.10 -0.94 0.27 -0.44 0.00 0.00 0.00 175.10 173.88 2dmq s SER 75 N 0.22 1.16 0.00 3.32 0.01 -1.26 -5.15 113.70 112.01 2dmq s SER 75 Ca 0.20 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2dmq s SER 75 Cb -0.16 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2dmq s SER 75 CO -0.07 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2dmq n GLY 76 N -0.52 0.61 3.73 3.44 0.00 -1.26 -5.01 105.19 106.19 2dmq n GLY 76 Ca 0.05 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.01 4.39 0.80 1.61 0.04 -1.26 -5.02 135.00 134.55 2dmq s PRO 77 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 2dmq s PRO 77 Cb 0.00 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.41 2dmq s PRO 77 CO 0.00 -0.26 1.12 -1.12 0.04 0.00 0.00 177.00 176.77 2dmq s SER 78 N 0.42 4.51 0.07 6.66 0.01 -1.26 -4.99 113.70 119.12 2dmq s SER 78 Ca 0.57 1.10 -0.29 0.00 1.31 0.00 0.00 55.95 58.65 2dmq s SER 78 Cb -0.36 -1.78 -0.18 0.00 0.21 0.00 0.00 66.02 63.91 2dmq s SER 78 CO 0.37 -1.93 1.60 0.28 0.41 0.00 0.00 173.24 173.97 2dmq h SER 79 N -1.07 -0.50 0.00 2.44 0.02 -2.04 -3.56 113.55 108.84 2dmq h SER 79 Ca -0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2dmq h SER 79 Cb 1.29 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2dmq h SER 79 CO 0.62 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.60