#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 4.57 -0.37 1.61 0.15 -1.26 -5.04 113.70 113.35 2dmq s SER 2 Ca 0.00 -0.33 -0.31 0.00 0.70 0.00 0.00 55.95 56.01 2dmq s SER 2 Cb 0.00 -1.80 -0.09 0.00 -1.71 0.00 0.00 66.02 62.42 2dmq s SER 2 CO 0.00 -0.02 2.27 -1.20 1.20 0.00 0.00 173.24 175.50 2dmq n SER 3 N 4.79 2.41 -4.90 5.45 7.64 -1.26 -4.93 113.62 122.82 2dmq n SER 3 Ca -0.18 0.17 -0.28 0.00 1.01 0.00 0.00 58.87 59.59 2dmq n SER 3 Cb 0.51 -1.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 2dmq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmq s GLY 4 N 8.61 1.55 -0.27 0.23 0.00 -1.26 -5.09 107.32 111.09 2dmq s GLY 4 Ca 1.06 -0.42 -0.26 0.00 0.00 0.00 0.00 44.72 45.11 2dmq s GLY 4 CO 0.41 -0.21 1.17 -1.35 0.00 0.00 0.00 173.10 173.11 2dmq s SER 5 N -4.15 -0.29 0.31 1.64 1.04 -1.26 -5.17 113.70 105.82 2dmq s SER 5 Ca 0.50 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.38 2dmq s SER 5 Cb -0.10 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2dmq s SER 5 CO 0.47 -0.14 0.59 -0.55 0.98 0.00 0.00 173.24 174.60 2dmq s SER 6 N -0.15 6.46 -0.49 7.02 0.15 -1.26 -5.06 113.70 120.37 2dmq s SER 6 Ca 0.04 0.79 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 2dmq s SER 6 Cb -0.04 -2.18 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 2dmq s SER 6 CO -0.08 -0.24 0.39 -0.83 1.20 0.00 0.00 173.24 173.68 2dmq s GLY 7 N -3.18 2.05 0.33 9.45 0.00 -1.26 -5.06 107.32 109.66 2dmq s GLY 7 Ca 0.45 -2.52 -0.19 0.00 0.00 0.00 0.00 44.72 42.46 2dmq s GLY 7 CO 0.30 1.13 0.11 0.58 0.00 0.00 0.00 173.10 175.23 2dmq n LYS 8 N 5.01 0.00 -4.25 2.90 0.00 -1.26 -4.95 118.16 115.60 2dmq n LYS 8 Ca -0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.90 2dmq n LYS 8 Cb 0.41 -0.86 -0.09 0.00 -0.00 0.00 0.00 35.03 34.49 2dmq n LYS 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dmq s ARG 9 N -0.86 2.70 -0.09 -1.58 3.52 -1.26 -5.12 118.95 116.26 2dmq s ARG 9 Ca 0.52 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 2dmq s ARG 9 Cb -0.58 -2.62 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 2dmq s ARG 9 CO 0.54 0.60 0.29 -1.64 -0.81 0.00 0.00 175.30 174.28 2dmq s MET 10 N -1.77 0.43 -0.94 5.12 -1.94 -1.26 -5.10 119.30 113.83 2dmq s MET 10 Ca 0.21 0.25 -0.23 0.00 -1.71 0.00 0.00 55.69 54.21 2dmq s MET 10 Cb -0.12 0.20 0.06 0.00 2.01 0.00 0.00 34.83 36.98 2dmq s MET 10 CO 0.12 -0.08 1.36 1.03 -0.01 0.00 0.00 175.02 177.45 2dmq s ARG 11 N -0.24 3.50 0.09 2.03 0.52 -1.26 -4.99 118.95 118.60 2dmq s ARG 11 Ca -0.04 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 2dmq s ARG 11 Cb -0.03 -5.05 -0.04 0.00 0.52 0.00 0.00 34.95 30.35 2dmq s ARG 11 CO 0.01 -2.13 0.14 0.95 0.02 0.00 0.00 175.30 174.30 2dmq s THR 12 N 4.78 4.86 -0.20 0.02 -4.23 -1.26 -5.10 115.64 114.50 2dmq s THR 12 Ca 0.41 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 2dmq s THR 12 Cb -0.03 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 2dmq s THR 12 CO -0.05 0.09 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.64 2dmq s SER 13 N -2.57 4.42 0.55 3.99 0.01 -1.26 -5.11 113.70 113.72 2dmq s SER 13 Ca 0.32 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.35 2dmq s SER 13 Cb -0.12 -1.75 0.07 0.00 0.21 0.00 0.00 66.02 64.43 2dmq s SER 13 CO 0.25 0.03 0.73 -0.36 0.41 0.00 0.00 173.24 174.30 2dmq s PHE 14 N 1.16 1.64 0.53 2.43 0.08 -1.26 -5.13 117.98 117.43 2dmq s PHE 14 Ca 0.02 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.40 2dmq s PHE 14 Cb -0.14 -2.21 0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2dmq s PHE 14 CO -0.01 -0.99 0.74 0.15 -0.10 0.00 0.00 175.22 175.02 2dmq s LYS 15 N -4.59 2.64 0.19 0.44 -0.14 -1.26 -5.02 119.74 112.00 2dmq s LYS 15 Ca 0.59 -0.78 0.18 0.00 -1.36 0.00 0.00 55.97 54.60 2dmq s LYS 15 Cb -0.06 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 2dmq s LYS 15 CO 0.37 -0.61 1.12 0.45 -0.76 0.00 0.00 175.35 175.92 2dmq h HIS 16 N 0.17 0.00 0.22 3.18 3.86 -2.00 -3.18 115.15 117.40 2dmq h HIS 16 Ca -0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2dmq h HIS 16 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2dmq h HIS 16 CO 0.38 0.38 -0.10 0.45 0.86 0.00 0.00 177.93 179.90 2dmq h HIS 17 N 0.00 -0.27 -0.30 2.45 3.86 -1.99 -2.19 115.15 116.70 2dmq h HIS 17 Ca -0.07 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2dmq h HIS 17 Cb 1.35 0.09 -0.06 0.00 1.06 0.00 0.00 27.41 29.86 2dmq h HIS 17 CO 0.00 -0.17 -0.07 -0.56 0.86 0.00 0.00 177.93 177.99 2dmq h GLN 18 N -0.60 0.00 -0.44 2.45 3.07 -1.89 -2.17 115.11 115.54 2dmq h GLN 18 Ca -0.03 -0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.79 2dmq h GLN 18 Cb 0.22 -0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.72 2dmq h GLN 18 CO 0.05 0.00 0.05 -0.07 0.09 0.00 0.00 178.83 178.95 2dmq h LEU 19 N 0.00 -0.08 -0.95 0.06 3.38 -1.68 -1.48 115.31 114.55 2dmq h LEU 19 Ca 0.15 0.09 0.36 0.00 0.09 0.00 0.00 57.88 58.56 2dmq h LEU 19 Cb 0.22 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 40.94 2dmq h LEU 19 CO -0.31 -0.01 0.36 -1.14 0.09 0.00 0.00 178.44 177.44 2dmq n ARG 20 N -5.15 -0.06 0.08 1.13 3.00 -0.82 0.15 116.66 114.99 2dmq n ARG 20 Ca 0.04 1.35 -0.18 0.00 -0.00 0.00 0.00 57.85 59.05 2dmq n ARG 20 Cb 0.22 -2.33 -0.10 0.00 0.00 0.00 0.00 32.46 30.25 2dmq n ARG 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2dmq h THR 21 N 0.00 1.36 0.50 5.15 2.02 -1.30 -3.08 112.91 117.57 2dmq h THR 21 Ca 0.74 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.35 2dmq h THR 21 Cb 1.85 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 70.89 2dmq h THR 21 CO -0.78 0.76 -0.24 0.24 0.37 0.00 0.00 175.52 175.87 2dmq h MET 22 N 0.24 -0.65 -0.79 6.66 2.86 0.18 -2.98 114.93 120.44 2dmq h MET 22 Ca -0.14 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.73 2dmq h MET 22 Cb 1.80 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 33.46 2dmq h MET 22 CO 0.20 -0.43 -0.03 0.87 1.06 0.00 0.00 176.91 178.58 2dmq h LYS 23 N -1.04 0.07 -0.59 1.72 1.57 -0.06 0.84 116.57 119.07 2dmq h LYS 23 Ca -0.07 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2dmq h LYS 23 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2dmq h LYS 23 CO 0.11 0.05 0.41 0.77 -0.57 0.00 0.00 179.45 180.22 2dmq h SER 24 N 0.07 0.24 0.03 0.86 0.02 -1.59 -2.07 113.55 111.11 2dmq h SER 24 Ca 0.43 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.30 2dmq h SER 24 Cb 0.76 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2dmq h SER 24 CO -0.73 0.13 -0.36 0.22 -1.14 0.00 0.00 176.83 174.95 2dmq h TYR 25 N 0.26 0.31 -1.59 3.45 5.03 0.77 -3.26 116.97 121.94 2dmq h TYR 25 Ca 0.28 -0.19 0.47 0.00 2.58 0.00 0.00 58.73 61.87 2dmq h TYR 25 Cb 0.76 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.93 2dmq h TYR 25 CO -0.00 1.05 1.12 0.35 -1.32 0.00 0.00 178.16 179.36 2dmq h PHE 26 N -0.52 0.12 -0.04 -3.82 3.57 -0.34 1.08 116.94 117.00 2dmq h PHE 26 Ca -0.05 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.22 2dmq h PHE 26 Cb 1.17 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.90 2dmq h PHE 26 CO 0.20 -0.04 -0.88 0.00 -2.23 0.00 0.00 178.31 175.37 2dmq h ALA 27 N 1.26 0.16 -0.03 2.41 0.00 -1.57 -3.34 119.26 118.14 2dmq h ALA 27 Ca 0.79 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2dmq h ALA 27 Cb 3.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.86 2dmq h ALA 27 CO -0.10 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.47 2dmq h ILE 28 N 0.32 1.47 -3.04 0.00 2.04 0.96 -3.47 117.51 115.79 2dmq h ILE 28 Ca -0.10 -1.55 -0.13 0.00 1.00 0.00 0.00 64.86 64.08 2dmq h ILE 28 Cb 1.53 2.41 -0.22 0.00 -0.74 0.00 0.00 36.82 39.81 2dmq h ILE 28 CO 0.17 0.42 -0.31 0.21 0.00 0.00 0.00 178.15 178.65 2dmq s ASN 29 N -6.04 -0.22 -0.02 1.72 2.47 0.78 -5.04 114.94 108.59 2dmq s ASN 29 Ca -0.16 0.24 0.08 0.00 0.42 0.00 0.00 52.86 53.45 2dmq s ASN 29 Cb 0.02 0.42 -0.12 0.00 -1.45 0.00 0.00 41.25 40.11 2dmq s ASN 29 CO 0.71 -0.34 0.16 0.00 -3.72 0.00 0.00 177.10 173.92 2dmq n HIS 30 N 1.79 0.00 -3.42 0.43 -0.00 -1.26 -3.68 115.22 109.08 2dmq n HIS 30 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.24 2dmq n HIS 30 Cb 0.56 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.99 30.28 2dmq n HIS 30 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2dmq n ASN 31 N -1.82 3.99 -4.77 4.39 3.02 -1.26 -4.78 115.26 114.03 2dmq n ASN 31 Ca -0.02 -3.42 -0.32 0.00 -0.03 0.00 0.00 54.58 50.78 2dmq n ASN 31 Cb 0.25 -0.74 0.06 0.00 -0.61 0.00 0.00 39.78 38.74 2dmq n ASN 31 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmq s PRO 32 N -2.42 2.61 0.42 3.52 0.04 -1.26 -5.05 135.00 132.85 2dmq s PRO 32 Ca 0.38 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2dmq s PRO 32 Cb 0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dmq s PRO 32 CO -0.01 -1.39 0.62 -0.51 0.04 0.00 0.00 177.00 175.75 2dmq s ASP 33 N -2.89 5.96 0.30 6.66 1.11 -1.26 -4.81 116.67 121.74 2dmq s ASP 33 Ca 0.65 0.29 0.01 0.00 0.18 0.00 0.00 52.55 53.67 2dmq s ASP 33 Cb -0.19 -1.63 0.73 0.00 1.07 0.00 0.00 42.92 42.90 2dmq s ASP 33 CO 0.47 -0.58 1.58 0.00 1.18 0.00 0.00 175.17 177.82 2dmq h ALA 34 N 0.52 1.16 -0.49 5.23 0.00 -1.98 0.64 119.26 124.34 2dmq h ALA 34 Ca -0.47 0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2dmq h ALA 34 Cb 1.24 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 2dmq h ALA 34 CO 0.58 -0.56 0.20 -0.22 0.00 0.00 0.00 179.25 179.25 2dmq h LYS 35 N 0.03 0.38 -0.38 0.00 3.11 -2.00 -0.38 116.57 117.34 2dmq h LYS 35 Ca 0.58 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 58.25 2dmq h LYS 35 Cb 1.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 2dmq h LYS 35 CO -0.87 0.25 -0.36 -0.44 -2.81 0.00 0.00 179.45 175.22 2dmq h ASP 36 N 0.39 0.93 0.32 4.20 3.32 -0.27 -2.59 116.42 122.72 2dmq h ASP 36 Ca 0.23 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2dmq h ASP 36 Cb 0.21 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2dmq h ASP 36 CO -0.21 1.18 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.19 2dmq h LEU 37 N 0.73 -0.59 -1.92 1.55 3.38 0.09 -1.73 115.31 116.80 2dmq h LEU 37 Ca 0.07 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2dmq h LEU 37 Cb 0.93 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2dmq h LEU 37 CO 0.09 -0.36 0.07 0.07 0.09 0.00 0.00 178.44 178.40 2dmq h LYS 38 N -0.55 0.10 -0.46 1.13 2.10 -1.12 -1.46 116.57 116.31 2dmq h LYS 38 Ca -0.03 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 2dmq h LYS 38 Cb 0.47 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 2dmq h LYS 38 CO 0.01 0.07 0.06 1.96 -2.00 0.00 0.00 179.45 179.55 2dmq h GLN 39 N 0.11 0.77 -0.14 0.07 1.08 -0.97 -3.17 115.11 112.86 2dmq h GLN 39 Ca 0.04 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2dmq h GLN 39 Cb 0.05 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2dmq h GLN 39 CO -0.01 0.79 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.46 2dmq h LEU 40 N 0.63 0.36 -1.75 1.46 3.38 -0.59 -2.73 115.31 116.07 2dmq h LEU 40 Ca 0.14 -0.48 0.46 0.00 0.09 0.00 0.00 57.88 58.09 2dmq h LEU 40 Cb 0.40 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2dmq h LEU 40 CO 0.01 0.77 1.28 0.00 0.09 0.00 0.00 178.44 180.59 2dmq h ALA 41 N 0.60 3.51 0.00 1.53 0.00 -1.27 0.24 119.26 123.87 2dmq h ALA 41 Ca 0.02 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2dmq h ALA 41 Cb 0.67 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2dmq h ALA 41 CO 0.03 -2.11 -1.17 1.04 0.00 0.00 0.00 179.25 177.05 2dmq n GLN 42 N -3.78 0.54 -0.21 0.00 1.13 -1.15 -0.01 117.38 113.91 2dmq n GLN 42 Ca 0.36 0.55 0.23 0.00 -1.94 0.00 0.00 57.00 56.19 2dmq n GLN 42 Cb 1.77 -1.72 0.60 0.00 0.11 0.00 0.00 30.24 31.00 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 0.23 0.00 -1.09 1.57 -0.48 -2.95 116.57 112.85 2dmq h LYS 43 Ca -0.29 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.19 2dmq h LYS 43 Cb 1.15 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2dmq h LYS 43 CO -0.18 0.15 -2.04 0.25 -0.57 0.00 0.00 179.45 177.07 2dmq n THR 44 N -4.42 1.04 0.00 -0.16 -2.24 0.57 -4.88 114.28 104.19 2dmq n THR 44 Ca 0.19 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dmq n THR 44 Cb 0.79 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 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 2.45 2.78 3.48 3.38 0.00 0.98 -4.85 105.19 113.41 2dmq n GLY 45 Ca -0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 0.67 0.59 0.99 1.43 -1.17 -4.84 118.68 116.35 2dmq s LEU 46 Ca 0.00 1.44 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2dmq s LEU 46 Cb 0.00 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.92 2dmq s LEU 46 CO 0.00 -4.29 0.91 0.42 0.23 0.00 0.00 176.35 173.61 2dmq s THR 47 N -2.46 3.63 0.09 5.49 -4.23 -1.26 -4.42 115.64 112.48 2dmq s THR 47 Ca 0.68 0.01 -0.35 0.00 -1.18 0.00 0.00 61.69 60.85 2dmq s THR 47 Cb -0.25 -3.45 -0.16 0.00 1.34 0.00 0.00 72.50 69.99 2dmq s THR 47 CO 0.65 -0.46 1.56 0.50 -0.54 0.00 0.00 174.62 176.33 2dmq h LYS 48 N -0.19 -0.87 -0.40 3.99 1.63 -1.95 -2.30 116.57 116.49 2dmq h LYS 48 Ca -0.45 0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.49 2dmq h LYS 48 Cb 1.26 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 33.00 2dmq h LYS 48 CO 0.61 -0.58 -0.18 -0.09 -3.45 0.00 0.00 179.45 175.76 2dmq h ARG 49 N -0.90 -0.10 -0.71 1.90 9.65 -1.99 -1.31 114.38 120.92 2dmq h ARG 49 Ca -0.04 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.98 2dmq h ARG 49 Cb 0.83 0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.30 2dmq h ARG 49 CO -0.16 -0.07 -0.31 0.28 2.80 0.00 0.00 179.97 182.51 2dmq h VAL 50 N -0.10 0.15 0.48 0.20 2.07 -1.87 0.67 116.25 117.84 2dmq h VAL 50 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2dmq h VAL 50 Cb 0.40 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2dmq h VAL 50 CO -0.46 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 176.83 2dmq h LEU 51 N -0.10 -0.54 -0.43 2.57 3.38 -0.79 -0.92 115.31 118.48 2dmq h LEU 51 Ca 0.29 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.32 2dmq h LEU 51 Cb 0.56 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2dmq h LEU 51 CO -0.77 -0.37 -0.50 1.56 0.09 0.00 0.00 178.44 178.45 2dmq h GLN 52 N -0.67 -0.34 0.18 1.13 4.20 -0.17 -0.31 115.11 119.13 2dmq h GLN 52 Ca -0.07 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2dmq h GLN 52 Cb 0.51 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2dmq h GLN 52 CO 0.11 -0.23 -0.32 0.28 -0.67 0.00 0.00 178.83 178.00 2dmq h VAL 53 N -0.36 0.33 -0.63 -0.54 2.07 -0.88 -2.41 116.25 113.84 2dmq h VAL 53 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2dmq h VAL 53 Cb 0.59 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.58 2dmq h VAL 53 CO -0.60 0.00 -0.48 -0.25 0.02 0.00 0.00 177.57 176.25 2dmq h TRP 54 N -0.58 -1.46 -0.52 1.57 7.01 -0.48 0.72 115.95 122.22 2dmq h TRP 54 Ca 0.02 0.09 0.10 0.00 2.11 0.00 0.00 58.89 61.21 2dmq h TRP 54 Cb 0.58 0.72 -0.10 0.00 -2.10 0.00 0.00 29.16 28.26 2dmq h TRP 54 CO -0.25 -0.43 -0.20 0.74 -2.79 0.00 0.00 178.44 175.50 2dmq h PHE 55 N -0.22 -0.50 -0.81 2.65 0.04 -0.86 0.17 116.94 117.41 2dmq h PHE 55 Ca 0.16 0.05 0.07 0.00 2.80 0.00 0.00 57.97 61.05 2dmq h PHE 55 Cb 0.55 0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.95 2dmq h PHE 55 CO -0.77 -0.29 0.53 1.96 -0.60 0.00 0.00 178.31 179.13 2dmq h GLN 56 N -0.08 0.85 -0.57 1.51 1.08 -0.54 -1.44 115.11 115.92 2dmq h GLN 56 Ca 0.24 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2dmq h GLN 56 Cb 0.46 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2dmq h GLN 56 CO -0.57 0.56 0.05 -0.91 -0.95 0.00 0.00 178.83 177.01 2dmq h ASN 57 N 0.88 0.90 0.41 1.46 2.35 0.14 -3.19 115.58 118.53 2dmq h ASN 57 Ca 0.35 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2dmq h ASN 57 Cb 0.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2dmq h ASN 57 CO -0.12 0.92 -0.42 0.00 -1.65 0.00 0.00 177.43 176.16 2dmq h ALA 58 N 1.18 -1.09 -0.95 -0.83 0.00 -0.05 -2.19 119.26 115.33 2dmq h ALA 58 Ca 0.17 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.21 2dmq h ALA 58 Cb 0.44 0.66 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 2dmq h ALA 58 CO 0.02 -1.11 0.16 0.00 0.00 0.00 0.00 179.25 178.32 2dmq h ARG 59 N -0.84 0.06 -0.29 0.00 3.08 -1.54 0.53 114.38 115.39 2dmq h ARG 59 Ca -0.05 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2dmq h ARG 59 Cb 0.73 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2dmq h ARG 59 CO -0.06 0.04 0.13 0.00 -1.07 0.00 0.00 179.97 179.01 2dmq h ALA 60 N 1.93 0.34 0.36 0.04 0.00 -1.43 -2.86 119.26 117.63 2dmq h ALA 60 Ca 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 2dmq h ALA 60 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dmq h ALA 60 CO -0.82 -0.27 -0.17 -0.22 0.00 0.00 0.00 179.25 177.77 2dmq h LYS 61 N 0.27 -0.46 -0.91 0.00 3.64 0.53 -3.07 116.57 116.57 2dmq h LYS 61 Ca 0.12 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.77 2dmq h LYS 61 Cb 0.06 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 31.81 2dmq h LYS 61 CO -0.10 -0.20 -0.01 0.34 -2.27 0.00 0.00 179.45 177.22 2dmq n PHE 62 N -5.22 0.55 -0.28 1.91 7.35 0.16 0.11 117.46 122.05 2dmq n PHE 62 Ca -0.10 1.09 0.09 0.00 -0.76 0.00 0.00 57.45 57.77 2dmq n PHE 62 Cb 0.25 -1.16 0.22 0.00 0.35 0.00 0.00 39.48 39.14 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 0.16 -0.10 -4.13 3.08 -1.40 0.30 114.38 112.28 2dmq h ARG 63 Ca 0.54 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.60 2dmq h ARG 63 Cb 1.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2dmq h ARG 63 CO -0.86 0.10 -0.07 -0.09 -1.07 0.00 0.00 179.97 177.99 2dmq h ARG 64 N 0.16 -0.07 -0.75 0.04 2.43 0.68 -2.69 114.38 114.19 2dmq h ARG 64 Ca 0.48 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.80 2dmq h ARG 64 Cb 0.90 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.32 2dmq h ARG 64 CO -0.65 -0.05 -0.24 -0.97 -1.51 0.00 0.00 179.97 176.55 2dmq h ASN 65 N -0.07 -0.87 -1.60 -3.80 -1.24 -0.86 0.48 115.58 107.62 2dmq h ASN 65 Ca 0.06 0.24 0.51 0.00 0.71 0.00 0.00 56.30 57.82 2dmq h ASN 65 Cb 0.16 0.52 -0.12 0.00 0.73 0.00 0.00 38.32 39.62 2dmq h ASN 65 CO -0.14 -0.27 1.08 -0.07 -1.29 0.00 0.00 177.43 176.74 2dmq h LEU 66 N -0.03 0.13 -0.33 0.34 3.38 -1.23 1.78 115.31 119.34 2dmq h LEU 66 Ca 0.34 0.10 -0.19 0.00 0.09 0.00 0.00 57.88 58.22 2dmq h LEU 66 Cb 0.57 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dmq h LEU 66 CO -0.79 -0.15 -0.58 -0.07 0.09 0.00 0.00 178.44 176.93 2dmq h LEU 67 N 0.01 0.88 -1.21 1.67 3.38 -0.13 -3.47 115.31 116.44 2dmq h LEU 67 Ca 0.90 -0.49 -0.43 0.00 0.09 0.00 0.00 57.88 57.95 2dmq h LEU 67 Cb 3.16 -0.25 0.05 0.00 0.09 0.00 0.00 40.66 43.70 2dmq h LEU 67 CO -0.29 1.27 -0.76 0.54 0.09 0.00 0.00 178.44 179.29 2dmq n ARG 68 N -3.98 -6.06 -0.11 1.13 5.12 0.61 -4.92 116.66 108.45 2dmq n ARG 68 Ca -0.04 0.68 -0.22 0.00 -1.93 0.00 0.00 57.85 56.33 2dmq n ARG 68 Cb 0.64 -5.54 -0.11 0.00 -1.16 0.00 0.00 32.46 26.29 2dmq n ARG 68 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2dmq n GLN 69 N -4.61 0.56 -4.59 5.56 -0.06 -1.26 -4.94 117.38 108.05 2dmq n GLN 69 Ca -0.08 0.53 -0.33 0.00 -2.00 0.00 0.00 57.00 55.12 2dmq n GLN 69 Cb 0.59 -1.71 -0.11 0.00 -4.06 0.00 0.00 30.24 24.94 2dmq n GLN 69 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2dmq s GLU 70 N -2.38 2.68 1.10 3.69 2.56 -1.26 -5.11 118.70 119.98 2dmq s GLU 70 Ca -0.30 -0.60 -0.12 0.00 0.00 0.00 0.00 54.97 53.95 2dmq s GLU 70 Cb 0.07 -2.56 0.23 0.00 2.00 0.00 0.00 34.13 33.87 2dmq s GLU 70 CO 0.57 0.65 0.96 0.09 -0.56 0.00 0.00 175.26 176.97 2dmq n ASN 71 N 2.04 -1.22 0.00 -1.70 3.02 -1.26 -4.97 115.26 111.17 2dmq n ASN 71 Ca -0.17 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2dmq n ASN 71 Cb 0.53 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 2dmq n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmq n GLY 72 N 0.90 1.75 7.00 7.41 0.00 -1.26 -5.15 105.19 115.83 2dmq n GLY 72 Ca 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.76 -0.68 3.10 -0.02 0.00 -1.26 -4.67 105.19 99.90 2dmq n GLY 73 Ca 0.00 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 2.68 -1.22 1.61 1.01 -1.26 -5.04 120.40 118.18 2dmq s VAL 74 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 61.98 60.03 2dmq s VAL 74 Cb 0.00 -2.71 0.17 0.00 0.00 0.00 0.00 36.38 33.84 2dmq s VAL 74 CO 0.00 -0.32 1.49 -0.24 0.00 0.00 0.00 175.10 176.02 2dmq n SER 75 N 4.48 5.21 -1.52 3.32 2.88 -1.26 -4.96 113.62 121.77 2dmq n SER 75 Ca -0.07 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2dmq n SER 75 Cb 0.42 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 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 3.98 4.47 3.73 0.46 0.00 -1.26 -5.10 105.19 111.47 2dmq n GLY 76 Ca 0.37 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.19 4.37 0.08 1.61 0.04 -1.26 -4.93 135.00 133.73 2dmq s PRO 77 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dmq s PRO 77 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2dmq s PRO 77 CO 0.00 -0.30 0.00 0.45 0.04 0.00 0.00 177.00 177.19 2dmq n SER 78 N 3.03 0.90 -4.58 6.66 2.88 -1.26 -5.09 113.62 116.15 2dmq n SER 78 Ca 0.08 0.12 -0.25 0.00 -1.33 0.00 0.00 58.87 57.49 2dmq n SER 78 Cb 0.43 -0.27 -0.09 0.00 -0.75 0.00 0.00 64.21 63.53 2dmq n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmq s SER 79 N -5.80 4.24 0.00 -3.46 0.15 -1.26 -5.34 113.70 102.23 2dmq s SER 79 Ca 0.00 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dmq s SER 79 Cb 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2dmq s SER 79 CO 0.00 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.10