#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 2.46 -0.26 1.61 0.15 -1.26 -5.02 113.70 111.39 2dmq s SER 2 Ca 0.00 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 2dmq s SER 2 Cb 0.00 -1.08 -0.15 0.00 -1.71 0.00 0.00 66.02 63.09 2dmq s SER 2 CO 0.00 -0.02 -0.19 -0.24 1.20 0.00 0.00 173.24 173.99 2dmq n SER 3 N 4.46 1.94 -4.57 5.45 2.88 -1.26 -4.90 113.62 117.63 2dmq n SER 3 Ca -0.18 0.31 -0.46 0.00 -1.33 0.00 0.00 58.87 57.22 2dmq n SER 3 Cb 0.51 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.40 1.00 0.37 0.46 0.00 -1.26 -4.84 105.19 102.32 2dmq n GLY 4 Ca -0.48 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 2dmq n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmq h SER 5 N 13.26 -1.25 -6.67 1.61 4.64 -2.06 -3.44 113.55 119.64 2dmq h SER 5 Ca -0.39 0.29 -0.54 0.00 -0.47 0.00 0.00 61.79 60.68 2dmq h SER 5 Cb 1.27 0.68 -0.18 0.00 -0.31 0.00 0.00 62.40 63.86 2dmq h SER 5 CO 0.97 -0.30 -0.82 -0.24 -0.87 0.00 0.00 176.83 175.58 2dmq n SER 6 N -5.49 -3.56 -4.81 4.97 2.88 -1.26 -4.91 113.62 101.44 2dmq n SER 6 Ca 0.10 -0.97 -0.34 0.00 -1.33 0.00 0.00 58.87 56.33 2dmq n SER 6 Cb 0.41 -2.96 -0.07 0.00 -0.75 0.00 0.00 64.21 60.84 2dmq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmq s GLY 7 N -3.30 2.51 -0.17 0.46 0.00 -1.26 -5.00 107.32 100.55 2dmq s GLY 7 Ca 0.72 0.43 -0.21 0.00 0.00 0.00 0.00 44.72 45.67 2dmq s GLY 7 CO 0.91 0.76 0.37 0.50 0.00 0.00 0.00 173.10 175.64 2dmq h LYS 8 N 2.29 0.06 -4.94 2.90 6.56 -2.04 -3.43 116.57 117.97 2dmq h LYS 8 Ca -0.48 -0.11 -0.68 0.00 -1.06 0.00 0.00 60.65 58.32 2dmq h LYS 8 Cb 1.18 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 32.70 2dmq h LYS 8 CO 0.62 1.05 0.23 1.03 -2.06 0.00 0.00 179.45 180.33 2dmq s ARG 9 N -2.38 3.07 0.09 3.15 3.00 -1.26 -4.93 118.95 119.70 2dmq s ARG 9 Ca -0.25 -1.13 -0.29 0.00 0.00 0.00 0.00 55.73 54.06 2dmq s ARG 9 Cb 0.04 -4.24 -0.15 0.00 0.00 0.00 0.00 34.95 30.61 2dmq s ARG 9 CO 0.65 -1.59 1.65 0.52 0.00 0.00 0.00 175.30 176.53 2dmq h MET 10 N 9.28 -0.59 -5.29 3.54 2.86 -2.03 -3.41 114.93 119.29 2dmq h MET 10 Ca -0.29 0.04 -0.67 0.00 -2.06 0.00 0.00 59.70 56.72 2dmq h MET 10 Cb 1.08 0.13 -0.32 0.00 0.06 0.00 0.00 31.60 32.56 2dmq h MET 10 CO 1.11 -0.39 -0.85 0.50 1.06 0.00 0.00 176.91 178.34 2dmq s ARG 11 N -6.08 3.13 0.01 1.72 6.06 -1.26 -5.12 118.95 117.41 2dmq s ARG 11 Ca -0.16 -0.82 0.07 0.00 -2.50 0.00 0.00 55.73 52.32 2dmq s ARG 11 Cb 0.05 -2.43 -0.03 0.00 0.06 0.00 0.00 34.95 32.60 2dmq s ARG 11 CO 0.64 0.12 -0.20 0.99 -2.50 0.00 0.00 175.30 174.35 2dmq s THR 12 N 0.50 2.57 -0.46 4.11 2.01 -1.26 -5.09 115.64 118.02 2dmq s THR 12 Ca -0.13 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 60.53 2dmq s THR 12 Cb -0.17 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.36 2dmq s THR 12 CO 0.05 0.46 0.87 -0.44 -0.69 0.00 0.00 174.62 174.88 2dmq s SER 13 N -1.04 6.46 0.31 3.53 0.01 -1.26 -5.04 113.70 116.68 2dmq s SER 13 Ca 0.12 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.37 2dmq s SER 13 Cb -0.10 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2dmq s SER 13 CO 0.02 -1.01 0.56 -0.36 0.41 0.00 0.00 173.24 172.87 2dmq s PHE 14 N 3.59 3.49 0.66 2.43 0.08 -1.26 -5.10 117.98 121.86 2dmq s PHE 14 Ca 0.34 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 57.97 2dmq s PHE 14 Cb -0.11 -2.06 0.08 0.00 -0.57 0.00 0.00 43.02 40.36 2dmq s PHE 14 CO 0.25 0.14 0.92 0.15 -0.10 0.00 0.00 175.22 176.58 2dmq s LYS 15 N -3.77 2.05 0.08 0.44 -0.14 -1.26 -5.00 119.74 112.15 2dmq s LYS 15 Ca 0.43 -0.88 0.25 0.00 -1.36 0.00 0.00 55.97 54.41 2dmq s LYS 15 Cb -0.10 -2.37 0.58 0.00 -1.68 0.00 0.00 37.83 34.26 2dmq s LYS 15 CO 0.32 -1.16 1.50 0.72 -0.76 0.00 0.00 175.35 175.98 2dmq n HIS 16 N -2.67 0.38 -0.05 3.18 8.25 -1.26 -3.43 115.22 119.63 2dmq n HIS 16 Ca 0.11 0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 2dmq n HIS 16 Cb 0.60 -0.57 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.41 4.41 3.86 -1.99 -3.12 115.15 117.91 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 0.64 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.03 2dmq h HIS 17 CO 0.00 0.00 -0.12 -0.56 0.86 0.00 0.00 177.93 178.11 2dmq h GLN 18 N -0.74 -0.02 -0.44 2.45 3.07 -1.87 -1.65 115.11 115.91 2dmq h GLN 18 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 2dmq h GLN 18 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.75 2dmq h GLN 18 CO 0.00 -0.01 0.21 -0.07 0.09 0.00 0.00 178.83 179.05 2dmq h LEU 19 N -0.02 0.30 -1.81 0.06 3.38 -1.76 -1.38 115.31 114.08 2dmq h LEU 19 Ca 0.20 0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.63 2dmq h LEU 19 Cb 0.32 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2dmq h LEU 19 CO -0.43 0.22 1.19 -0.09 0.09 0.00 0.00 178.44 179.41 2dmq h ARG 20 N 0.43 0.00 0.03 1.13 2.43 -1.23 1.45 114.38 118.62 2dmq h ARG 20 Ca 0.19 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.05 2dmq h ARG 20 Cb 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2dmq h ARG 20 CO -0.14 0.00 -1.78 2.41 -1.51 0.00 0.00 179.97 178.95 2dmq n THR 21 N -3.84 1.65 0.02 0.20 -1.04 -0.55 -3.50 114.28 107.21 2dmq n THR 21 Ca 0.33 -0.77 -0.06 0.00 -2.04 0.00 0.00 64.05 61.52 2dmq n THR 21 Cb 1.65 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2dmq n THR 21 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2dmq h MET 22 N 0.02 -0.16 -0.45 -2.82 2.86 0.21 -3.23 114.93 111.35 2dmq h MET 22 Ca -0.32 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.42 2dmq h MET 22 Cb 2.02 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 33.64 2dmq h MET 22 CO 0.08 0.08 -0.05 0.87 1.06 0.00 0.00 176.91 178.94 2dmq h LYS 23 N -1.01 0.05 -0.69 1.72 1.57 -0.36 0.18 116.57 118.03 2dmq h LYS 23 Ca -0.02 -0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2dmq h LYS 23 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2dmq h LYS 23 CO 0.03 0.03 0.56 1.03 -0.57 0.00 0.00 179.45 180.53 2dmq h SER 24 N 0.05 0.00 0.16 0.86 0.87 -1.70 -0.19 113.55 113.61 2dmq h SER 24 Ca 0.22 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.56 2dmq h SER 24 Cb 0.33 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2dmq h SER 24 CO -0.42 0.00 -1.00 0.22 -0.53 0.00 0.00 176.83 175.10 2dmq h TYR 25 N 0.00 0.60 -1.56 2.24 5.03 -0.70 -3.29 116.97 119.29 2dmq h TYR 25 Ca 0.33 -0.44 0.45 0.00 2.58 0.00 0.00 58.73 61.65 2dmq h TYR 25 Cb 1.44 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.64 2dmq h TYR 25 CO 0.00 1.39 1.12 0.35 -1.32 0.00 0.00 178.16 179.70 2dmq h PHE 26 N -0.28 0.01 0.06 -3.82 3.57 0.00 1.54 116.94 118.03 2dmq h PHE 26 Ca -0.18 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.08 2dmq h PHE 26 Cb 1.74 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 2dmq h PHE 26 CO 0.18 -0.00 -1.09 0.00 -2.23 0.00 0.00 178.31 175.17 2dmq h ALA 27 N 1.23 0.27 0.03 2.41 0.00 -1.61 -3.33 119.26 118.26 2dmq h ALA 27 Ca 0.75 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dmq h ALA 27 Cb 2.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.70 2dmq h ALA 27 CO -0.02 1.06 -0.02 0.82 0.00 0.00 0.00 179.25 181.10 2dmq h ILE 28 N 0.05 1.40 -3.12 0.00 2.04 0.20 -3.45 117.51 114.63 2dmq h ILE 28 Ca -0.07 -1.66 -0.35 0.00 1.00 0.00 0.00 64.86 63.77 2dmq h ILE 28 Cb 1.81 2.46 -0.38 0.00 -0.74 0.00 0.00 36.82 39.97 2dmq h ILE 28 CO 0.16 0.40 -0.69 0.21 0.00 0.00 0.00 178.15 178.23 2dmq s ASN 29 N -5.87 1.22 0.11 1.72 3.84 0.08 -5.03 114.94 111.00 2dmq s ASN 29 Ca -0.16 0.03 -0.13 0.00 0.21 0.00 0.00 52.86 52.81 2dmq s ASN 29 Cb -0.01 0.04 -0.09 0.00 -0.55 0.00 0.00 41.25 40.63 2dmq s ASN 29 CO 0.61 -0.27 1.40 0.45 -2.79 0.00 0.00 177.10 176.50 2dmq h HIS 30 N 8.40 1.00 -3.40 0.43 3.86 -1.82 -3.37 115.15 120.25 2dmq h HIS 30 Ca -0.13 -0.35 -0.73 0.00 -1.16 0.00 0.00 60.37 58.00 2dmq h HIS 30 Cb 1.13 -0.19 -0.33 0.00 1.06 0.00 0.00 27.41 29.07 2dmq h HIS 30 CO 0.38 1.15 0.06 -0.80 0.86 0.00 0.00 177.93 179.58 2dmq s ASN 31 N -6.81 6.37 0.42 2.45 0.02 -1.26 -4.88 114.94 111.25 2dmq s ASN 31 Ca -0.11 -3.65 -0.24 0.00 -1.02 0.00 0.00 52.86 47.84 2dmq s ASN 31 Cb 0.09 -2.00 -0.08 0.00 0.02 0.00 0.00 41.25 39.28 2dmq s ASN 31 CO 0.87 -0.22 1.18 -2.16 0.02 0.00 0.00 177.10 176.78 2dmq s PRO 32 N -1.26 3.94 0.48 -0.60 0.04 -1.26 -5.04 135.00 131.30 2dmq s PRO 32 Ca 0.28 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2dmq s PRO 32 Cb -0.08 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2dmq s PRO 32 CO -0.11 -0.42 0.72 -0.51 0.04 0.00 0.00 177.00 176.73 2dmq s ASP 33 N -1.18 5.76 0.19 6.66 1.01 -1.26 -4.81 116.67 123.04 2dmq s ASP 33 Ca 0.59 0.36 -0.19 0.00 0.71 0.00 0.00 52.55 54.02 2dmq s ASP 33 Cb -0.31 -1.54 0.14 0.00 1.01 0.00 0.00 42.92 42.23 2dmq s ASP 33 CO 0.38 -0.79 1.41 0.00 0.21 0.00 0.00 175.17 176.37 2dmq n ALA 34 N -2.19 -0.24 -0.30 5.23 0.00 -1.26 0.28 120.51 122.03 2dmq n ALA 34 Ca 0.02 0.87 0.02 0.00 0.00 0.00 0.00 53.44 54.35 2dmq n ALA 34 Cb 0.58 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.02 -0.54 0.00 1.63 -1.99 0.38 116.57 116.02 2dmq h LYS 35 Ca 0.27 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.98 2dmq h LYS 35 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 2dmq h LYS 35 CO -0.89 -0.01 -0.02 -0.44 -3.45 0.00 0.00 179.45 174.64 2dmq h ASP 36 N -0.02 0.96 0.21 4.20 3.32 -0.53 -2.18 116.42 122.38 2dmq h ASP 36 Ca 0.38 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.12 2dmq h ASP 36 Cb 0.61 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2dmq h ASP 36 CO -0.87 1.04 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.36 2dmq h LEU 37 N 0.85 -0.72 -1.46 1.55 3.38 0.16 -0.39 115.31 118.68 2dmq h LEU 37 Ca 0.15 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2dmq h LEU 37 Cb 0.57 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2dmq h LEU 37 CO 0.03 -0.37 0.37 0.07 0.09 0.00 0.00 178.44 178.64 2dmq h LYS 38 N -0.53 0.72 -0.17 1.13 2.10 -0.74 -1.09 116.57 117.99 2dmq h LYS 38 Ca 0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2dmq h LYS 38 Cb 0.51 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2dmq h LYS 38 CO -0.09 0.47 0.07 1.96 -2.00 0.00 0.00 179.45 179.86 2dmq h GLN 39 N 0.74 0.26 -0.64 0.07 1.08 -0.72 -2.96 115.11 112.94 2dmq h GLN 39 Ca 0.21 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2dmq h GLN 39 Cb -0.05 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2dmq h GLN 39 CO -0.05 0.34 0.08 -0.07 -0.95 0.00 0.00 178.83 178.18 2dmq h LEU 40 N 0.13 1.01 -0.77 1.46 3.38 -0.64 0.03 115.31 119.91 2dmq h LEU 40 Ca 0.06 -0.25 0.18 0.00 0.09 0.00 0.00 57.88 57.96 2dmq h LEU 40 Cb 0.18 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 40.53 2dmq h LEU 40 CO -0.00 1.02 0.11 0.00 0.09 0.00 0.00 178.44 179.66 2dmq h ALA 41 N 1.10 0.95 0.09 1.53 0.00 -1.05 0.42 119.26 122.30 2dmq h ALA 41 Ca 0.19 0.21 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 2dmq h ALA 41 Cb 0.45 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dmq h ALA 41 CO 0.02 -0.41 -1.06 1.96 0.00 0.00 0.00 179.25 179.76 2dmq h GLN 42 N 0.18 0.20 0.00 0.00 4.20 -1.45 1.03 115.11 119.26 2dmq h GLN 42 Ca 0.44 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2dmq h GLN 42 Cb 0.81 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2dmq h GLN 42 CO -0.61 1.16 0.16 0.87 -0.67 0.00 0.00 178.83 179.74 2dmq h LYS 43 N -0.49 0.00 0.00 1.46 1.57 -0.43 -2.40 116.57 116.28 2dmq h LYS 43 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2dmq h LYS 43 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2dmq h LYS 43 CO 0.05 0.00 -0.91 0.25 -0.57 0.00 0.00 179.45 178.27 2dmq n THR 44 N -2.72 0.00 0.00 -0.16 -2.24 0.14 -4.87 114.28 104.43 2dmq n THR 44 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2dmq n THR 44 Cb 0.21 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.49 3.24 3.66 3.38 0.00 0.35 -4.79 105.19 113.52 2dmq n GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.09 0.67 0.99 1.43 -0.86 -4.83 118.68 118.18 2dmq s LEU 46 Ca 0.00 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 2dmq s LEU 46 Cb 0.00 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.30 2dmq s LEU 46 CO 0.00 -3.06 0.99 0.42 0.23 0.00 0.00 176.35 174.93 2dmq s THR 47 N -2.77 2.81 0.09 5.49 -4.23 -1.26 -4.35 115.64 111.42 2dmq s THR 47 Ca 0.65 -0.10 -0.35 0.00 -1.18 0.00 0.00 61.69 60.71 2dmq s THR 47 Cb -0.20 -3.19 -0.16 0.00 1.34 0.00 0.00 72.50 70.28 2dmq s THR 47 CO 0.59 -0.20 1.57 0.50 -0.54 0.00 0.00 174.62 176.54 2dmq h LYS 48 N -0.49 -0.94 -0.84 3.99 1.63 -1.94 -2.77 116.57 115.22 2dmq h LYS 48 Ca -0.45 0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.53 2dmq h LYS 48 Cb 1.29 0.21 -0.13 0.00 -0.60 0.00 0.00 32.23 33.01 2dmq h LYS 48 CO 0.61 -0.62 -0.46 -0.09 -3.45 0.00 0.00 179.45 175.43 2dmq h ARG 49 N -0.97 -0.08 -0.73 1.90 9.65 -1.99 0.20 114.38 122.36 2dmq h ARG 49 Ca -0.06 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 58.97 2dmq h ARG 49 Cb 0.84 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 29.30 2dmq h ARG 49 CO -0.05 -0.06 -0.20 0.28 2.80 0.00 0.00 179.97 182.74 2dmq h VAL 50 N -0.09 0.25 0.38 0.20 2.07 -1.91 0.73 116.25 117.89 2dmq h VAL 50 Ca 0.23 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2dmq h VAL 50 Cb 0.53 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2dmq h VAL 50 CO -0.86 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 176.47 2dmq h LEU 51 N -0.01 -0.44 -0.42 2.57 3.38 -0.43 0.54 115.31 120.50 2dmq h LEU 51 Ca 0.35 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.34 2dmq h LEU 51 Cb 0.54 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2dmq h LEU 51 CO -0.76 -0.22 -0.37 1.56 0.09 0.00 0.00 178.44 178.74 2dmq h GLN 52 N -0.64 -0.27 0.61 1.13 4.20 0.22 0.76 115.11 121.12 2dmq h GLN 52 Ca -0.05 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2dmq h GLN 52 Cb 0.47 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.31 2dmq h GLN 52 CO 0.09 -0.18 -0.30 0.28 -0.67 0.00 0.00 178.83 178.05 2dmq h VAL 53 N -0.28 0.00 -0.95 -0.54 2.07 -0.88 -0.75 116.25 114.92 2dmq h VAL 53 Ca 0.16 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.75 2dmq h VAL 53 Cb 0.56 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.20 2dmq h VAL 53 CO -0.57 0.00 -0.46 1.87 0.02 0.00 0.00 177.57 178.44 2dmq n TRP 54 N -4.37 -0.17 0.22 1.57 -0.00 0.18 0.04 117.44 114.90 2dmq n TRP 54 Ca -0.10 1.18 -0.10 0.00 -0.00 0.00 0.00 57.50 58.48 2dmq n TRP 54 Cb 0.33 -0.73 -0.05 0.00 -0.00 0.00 0.00 31.31 30.85 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 -1.20 5.87 -1.00 -0.85 -0.96 116.94 118.12 2dmq h PHE 55 Ca 0.25 -0.01 0.41 0.00 2.81 0.00 0.00 57.97 61.43 2dmq h PHE 55 Cb 0.49 0.24 -0.14 0.00 3.61 0.00 0.00 35.95 40.15 2dmq h PHE 55 CO -0.90 -0.37 0.75 1.96 -1.61 0.00 0.00 178.31 178.14 2dmq h GLN 56 N -0.60 0.12 -0.21 1.51 1.08 -0.20 1.37 115.11 118.17 2dmq h GLN 56 Ca -0.05 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 2dmq h GLN 56 Cb 0.49 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2dmq h GLN 56 CO 0.05 0.08 -0.50 -0.91 -0.95 0.00 0.00 178.83 176.60 2dmq h ASN 57 N 0.12 0.63 -0.22 1.46 -0.26 0.03 -3.29 115.58 114.05 2dmq h ASN 57 Ca 0.80 -0.32 0.03 0.00 -0.56 0.00 0.00 56.30 56.26 2dmq h ASN 57 Cb 2.33 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 39.34 2dmq h ASN 57 CO -0.50 1.02 -0.51 0.00 -1.06 0.00 0.00 177.43 176.38 2dmq h ALA 58 N 0.99 -0.82 -0.92 -0.83 0.00 0.32 -0.83 119.26 117.18 2dmq h ALA 58 Ca 0.02 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.09 2dmq h ALA 58 Cb 1.03 1.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 2dmq h ALA 58 CO 0.10 -1.03 -0.19 0.54 0.00 0.00 0.00 179.25 178.67 2dmq n ARG 59 N -5.20 -0.08 -0.23 0.00 1.74 -1.18 0.14 116.66 111.84 2dmq n ARG 59 Ca -0.05 1.42 -0.07 0.00 -0.77 0.00 0.00 57.85 58.38 2dmq n ARG 59 Cb 0.34 -2.15 0.04 0.00 -1.02 0.00 0.00 32.46 29.67 2dmq n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmq h ALA 60 N 1.83 0.84 0.12 7.54 0.00 -1.36 -2.71 119.26 125.52 2dmq h ALA 60 Ca 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dmq h ALA 60 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dmq h ALA 60 CO -0.93 0.50 -0.06 -0.22 0.00 0.00 0.00 179.25 178.54 2dmq h LYS 61 N 0.92 -0.16 -0.78 0.00 3.64 0.25 -3.16 116.57 117.28 2dmq h LYS 61 Ca 0.21 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.74 2dmq h LYS 61 Cb 0.28 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.00 2dmq h LYS 61 CO -0.01 -0.11 -0.25 0.34 -2.27 0.00 0.00 179.45 177.16 2dmq n PHE 62 N -2.66 0.16 -0.22 1.91 7.35 0.12 0.12 117.46 124.24 2dmq n PHE 62 Ca -0.02 0.95 -0.00 0.00 -0.76 0.00 0.00 57.45 57.62 2dmq n PHE 62 Cb 0.07 -0.87 0.07 0.00 0.35 0.00 0.00 39.48 39.09 2dmq n PHE 62 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dmq h ARG 63 N 0.00 0.01 0.04 -4.13 3.08 -1.55 -0.81 114.38 111.02 2dmq h ARG 63 Ca 0.32 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.38 2dmq h ARG 63 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2dmq h ARG 63 CO -0.78 0.01 -0.07 -0.09 -1.07 0.00 0.00 179.97 177.96 2dmq h ARG 64 N 0.01 -0.14 -0.78 0.04 2.43 0.96 -2.63 114.38 114.26 2dmq h ARG 64 Ca 0.32 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.68 2dmq h ARG 64 Cb 0.49 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.94 2dmq h ARG 64 CO -0.66 -0.10 0.12 -0.97 -1.51 0.00 0.00 179.97 176.86 2dmq h ASN 65 N -0.15 -0.14 -0.83 -3.80 -1.24 -0.57 0.19 115.58 109.04 2dmq h ASN 65 Ca 0.02 0.18 0.17 0.00 0.71 0.00 0.00 56.30 57.38 2dmq h ASN 65 Cb 0.17 0.28 -0.11 0.00 0.73 0.00 0.00 38.32 39.39 2dmq h ASN 65 CO -0.05 -0.13 0.36 -0.07 -1.29 0.00 0.00 177.43 176.25 2dmq h LEU 66 N 0.18 0.35 -1.16 0.34 -0.00 -0.97 0.14 115.31 114.19 2dmq h LEU 66 Ca 0.45 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.49 2dmq h LEU 66 Cb 0.83 0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 2dmq h LEU 66 CO -0.62 0.09 0.57 -0.07 -0.00 0.00 0.00 178.44 178.42 2dmq h LEU 67 N 0.47 0.94 -8.08 1.67 3.38 -0.60 -3.35 115.31 109.75 2dmq h LEU 67 Ca 0.48 -0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.69 2dmq h LEU 67 Cb 0.79 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.09 2dmq h LEU 67 CO -0.44 0.65 -0.10 -0.13 0.09 0.00 0.00 178.44 178.50 2dmq s ARG 68 N -5.93 3.07 0.65 1.13 0.52 0.48 -5.06 118.95 113.82 2dmq s ARG 68 Ca -0.12 -1.70 -0.06 0.00 -0.52 0.00 0.00 55.73 53.34 2dmq s ARG 68 Cb 0.19 -4.31 0.04 0.00 0.52 0.00 0.00 34.95 31.38 2dmq s ARG 68 CO 0.80 -1.38 0.96 -1.14 0.02 0.00 0.00 175.30 174.56 2dmq s GLN 69 N 1.71 2.51 0.31 3.54 0.74 -1.26 -4.86 119.66 122.36 2dmq s GLN 69 Ca 0.07 -0.18 -0.28 0.00 0.05 0.00 0.00 55.36 55.02 2dmq s GLN 69 Cb -0.26 -2.22 -0.09 0.00 1.10 0.00 0.00 33.01 31.53 2dmq s GLN 69 CO 0.02 -1.00 1.09 -1.21 -0.55 0.00 0.00 175.29 173.64 2dmq s GLU 70 N -5.12 4.50 -0.52 1.67 0.41 -1.26 -4.99 118.70 113.38 2dmq s GLU 70 Ca 0.57 1.73 -0.24 0.00 -0.41 0.00 0.00 54.97 56.62 2dmq s GLU 70 Cb -0.11 -3.00 0.04 0.00 -1.78 0.00 0.00 34.13 29.28 2dmq s GLU 70 CO 0.45 0.10 0.93 0.54 -0.49 0.00 0.00 175.26 176.79 2dmq s ASN 71 N -1.07 6.38 -0.27 -0.19 4.22 -1.26 -5.02 114.94 117.74 2dmq s ASN 71 Ca 0.48 -0.22 -0.16 0.00 -2.14 0.00 0.00 52.86 50.82 2dmq s ASN 71 Cb -0.29 -2.44 -0.03 0.00 1.28 0.00 0.00 41.25 39.77 2dmq s ASN 71 CO 0.37 -1.17 0.42 -0.83 -2.04 0.00 0.00 177.10 173.85 2dmq s GLY 72 N 2.67 1.87 0.00 0.45 0.00 -1.26 -4.85 107.32 106.19 2dmq s GLY 72 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2dmq s GLY 72 CO 0.21 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.99 2dmq n GLY 73 N 4.59 -0.94 3.68 0.20 0.00 -1.26 -5.13 105.19 106.33 2dmq n GLY 73 Ca -0.07 0.68 -0.45 0.00 0.00 0.00 0.00 46.02 46.19 2dmq n GLY 73 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dmq n VAL 74 N 0.00 0.73 -0.23 1.61 0.31 -1.26 -4.88 118.33 114.61 2dmq n VAL 74 Ca 0.00 -0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 2dmq n VAL 74 Cb 0.00 -1.53 0.12 0.00 -0.91 0.00 0.00 33.84 31.52 2dmq n VAL 74 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2dmq h SER 75 N 4.67 0.38 -3.07 4.52 0.87 -2.00 -3.48 113.55 115.44 2dmq h SER 75 Ca -0.45 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2dmq h SER 75 Cb 1.27 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2dmq h SER 75 CO 0.79 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.92 2dmq n GLY 76 N -1.30 3.53 2.51 5.77 0.00 -1.26 -5.09 105.19 109.36 2dmq n GLY 76 Ca 0.10 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.70 -2.54 -4.23 1.61 -0.04 -1.26 -4.19 135.00 123.65 2dmq n PRO 77 Ca 0.00 -1.26 -0.35 0.00 -0.04 0.00 0.00 63.50 61.86 2dmq n PRO 77 Cb 0.00 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 2dmq n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmq n SER 78 N -4.34 -0.43 -4.62 3.54 7.64 -1.26 -4.92 113.62 109.22 2dmq n SER 78 Ca 0.11 -1.26 -0.31 0.00 1.01 0.00 0.00 58.87 58.42 2dmq n SER 78 Cb 0.42 -1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 61.98 2dmq n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmq s SER 79 N -4.14 4.71 0.00 6.43 1.04 -1.26 -5.29 113.70 115.20 2dmq s SER 79 Ca 0.14 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dmq s SER 79 Cb -0.08 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2dmq s SER 79 CO 0.97 0.23 0.00 0.61 0.98 0.00 0.00 173.24 176.03