#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgn s ASP 3 N 0.00 -1.33 -0.38 0.00 -4.77 -1.26 -5.02 116.67 103.91 1dgn s ASP 3 Ca 0.00 -0.99 0.11 0.00 -3.30 0.00 0.00 52.55 48.37 1dgn s ASP 3 Cb 0.00 1.72 0.40 0.00 -1.09 0.00 0.00 42.92 43.95 1dgn s ASP 3 CO 0.00 -0.11 1.22 0.00 0.70 0.00 0.00 175.17 176.98 1dgn n GLN 4 N 3.80 1.17 0.38 2.11 1.13 -1.26 -5.01 117.38 119.70 1dgn n GLN 4 Ca 0.13 -2.26 -0.19 0.00 -1.94 0.00 0.00 57.00 52.74 1dgn n GLN 4 Cb 0.58 -0.46 -0.10 0.00 0.11 0.00 0.00 30.24 30.37 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1dgn h LEU 5 N 2.35 -1.26 -0.29 1.08 6.46 -2.00 -2.86 115.31 118.79 1dgn h LEU 5 Ca -0.21 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1dgn h LEU 5 Cb 1.25 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 41.49 1dgn h LEU 5 CO 0.11 -0.71 -0.43 -0.07 -0.62 0.00 0.00 178.44 176.72 1dgn h LEU 6 N -1.11 -1.41 -0.99 2.25 -0.00 -1.95 0.19 115.31 112.29 1dgn h LEU 6 Ca -0.09 0.20 0.14 0.00 -0.00 0.00 0.00 57.88 58.13 1dgn h LEU 6 Cb 0.92 0.60 -0.15 0.00 -0.00 0.00 0.00 40.66 42.02 1dgn h LEU 6 CO 0.04 -0.39 -0.44 -1.14 -0.00 0.00 0.00 178.44 176.51 1dgn n ARG 7 N -5.42 -0.29 -0.10 1.13 0.00 -1.18 0.26 116.66 111.06 1dgn n ARG 7 Ca -0.02 1.52 -0.12 0.00 -0.00 0.00 0.00 57.85 59.23 1dgn n ARG 7 Cb 0.36 -2.25 -0.04 0.00 0.00 0.00 0.00 32.46 30.52 1dgn n ARG 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1dgn h LYS 8 N 0.00 0.58 -0.32 -0.14 1.57 -1.16 -2.76 116.57 114.34 1dgn h LYS 8 Ca 0.29 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dgn h LYS 8 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1dgn h LYS 8 CO -0.97 0.80 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 1dgn n LYS 9 N -4.45 1.35 0.01 3.15 4.76 0.60 -3.94 118.16 119.64 1dgn n LYS 9 Ca -0.03 -0.43 -0.01 0.00 -2.87 0.00 0.00 58.31 54.97 1dgn n LYS 9 Cb 0.34 -1.22 0.27 0.00 -1.84 0.00 0.00 35.03 32.58 1dgn n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1dgn h ARG 10 N 0.65 0.49 0.00 1.97 2.43 0.39 -0.90 114.38 119.41 1dgn h ARG 10 Ca 0.00 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.86 1dgn h ARG 10 Cb 0.30 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1dgn h ARG 10 CO 0.02 0.59 -0.84 0.07 -1.51 0.00 0.00 179.97 178.29 1dgn h ARG 11 N 0.46 0.00 0.08 0.20 0.11 -1.79 -2.95 114.38 110.49 1dgn h ARG 11 Ca 0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.17 1dgn h ARG 11 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1dgn h ARG 11 CO 0.02 0.84 -0.04 0.82 0.10 0.00 0.00 179.97 181.72 1dgn h ILE 12 N 0.00 0.00 -0.36 0.08 2.04 -1.73 -2.90 117.51 114.64 1dgn h ILE 12 Ca -0.01 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1dgn h ILE 12 Cb 1.55 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 1dgn h ILE 12 CO 0.11 0.00 -0.28 0.15 0.00 0.00 0.00 178.15 178.13 1dgn h PHE 13 N -0.49 -0.76 -0.36 1.37 3.57 -1.34 -1.89 116.94 117.05 1dgn h PHE 13 Ca -0.01 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1dgn h PHE 13 Cb 0.09 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1dgn h PHE 13 CO 0.02 -0.35 -0.06 0.97 -2.23 0.00 0.00 178.31 176.66 1dgn h ILE 14 N -0.23 0.67 -1.16 1.41 2.10 -1.69 0.84 117.51 119.45 1dgn h ILE 14 Ca 0.17 -0.01 -0.58 0.00 1.08 0.00 0.00 64.86 65.52 1dgn h ILE 14 Cb 0.50 0.64 -0.17 0.00 -1.09 0.00 0.00 36.82 36.70 1dgn h ILE 14 CO -0.50 0.00 0.94 1.41 -1.08 0.00 0.00 178.15 178.93 1dgn n HIS 15 N -5.25 1.93 0.05 2.19 8.25 -0.73 -4.19 115.22 117.46 1dgn n HIS 15 Ca 0.01 -2.19 0.00 0.00 -0.26 0.00 0.00 57.72 55.28 1dgn n HIS 15 Cb 0.20 -1.48 0.00 0.00 1.12 0.00 0.00 29.99 29.83 1dgn n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1dgn n SER 16 N 1.00 -0.83 -4.64 0.41 7.64 -0.95 -4.88 113.62 111.38 1dgn n SER 16 Ca 0.52 0.23 -0.60 0.00 1.01 0.00 0.00 58.87 60.04 1dgn n SER 16 Cb 0.45 1.04 -0.08 0.00 -1.01 0.00 0.00 64.21 64.61 1dgn n SER 16 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1dgn n VAL 17 N -2.61 0.06 -2.85 0.44 3.14 0.25 -4.90 118.33 111.86 1dgn n VAL 17 Ca 0.00 -0.01 -0.37 0.00 -2.96 0.00 0.00 64.34 61.00 1dgn n VAL 17 Cb 0.00 -0.56 -0.06 0.00 -1.06 0.00 0.00 33.84 32.15 1dgn n VAL 17 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1dgn s GLY 18 N 1.75 2.78 0.59 7.55 0.00 -1.26 -4.91 107.32 113.83 1dgn s GLY 18 Ca 0.96 0.45 0.32 0.00 0.00 0.00 0.00 44.72 46.45 1dgn s GLY 18 CO 0.65 0.88 1.53 0.00 0.00 0.00 0.00 173.10 176.16 1dgn h ALA 19 N 3.31 2.96 0.15 3.20 0.00 -1.98 -1.12 119.26 125.79 1dgn h ALA 19 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1dgn h ALA 19 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1dgn h ALA 19 CO 0.65 -1.61 -0.07 0.78 0.00 0.00 0.00 179.25 179.00 1dgn h GLY 20 N 0.00 -0.21 -0.90 0.00 0.00 -2.00 -3.32 103.07 96.63 1dgn h GLY 20 Ca 0.51 0.08 0.40 0.00 0.00 0.00 0.00 47.33 48.32 1dgn h GLY 20 CO -0.01 -0.08 0.74 -0.84 0.00 0.00 0.00 176.54 176.36 1dgn h THR 21 N -0.83 0.17 0.17 4.70 2.02 -1.56 -0.15 112.91 117.43 1dgn h THR 21 Ca -0.02 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1dgn h THR 21 Cb 0.16 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.54 1dgn h THR 21 CO 0.03 0.03 -0.50 0.40 0.37 0.00 0.00 175.52 175.85 1dgn h ILE 22 N 0.15 0.04 -0.95 3.11 2.04 -1.58 0.76 117.51 121.08 1dgn h ILE 22 Ca 0.79 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.81 1dgn h ILE 22 Cb 2.27 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 1dgn h ILE 22 CO -0.49 0.00 0.56 -1.13 0.00 0.00 0.00 178.15 177.09 1dgn h ASN 23 N -0.77 0.73 1.13 1.72 -1.24 -1.13 0.13 115.58 116.15 1dgn h ASN 23 Ca -0.01 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.00 1dgn h ASN 23 Cb 0.76 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1dgn h ASN 23 CO -0.25 0.30 -0.44 0.00 -1.29 0.00 0.00 177.43 175.75 1dgn h ALA 24 N 1.59 0.83 0.10 1.57 0.00 -1.20 -2.86 119.26 119.31 1dgn h ALA 24 Ca 0.52 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dgn h ALA 24 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dgn h ALA 24 CO -0.35 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 180.65 1dgn h LEU 25 N 0.00 -0.12 -2.11 0.00 7.12 0.30 -2.98 115.31 117.51 1dgn h LEU 25 Ca -0.00 -0.16 0.04 0.00 0.13 0.00 0.00 57.88 57.88 1dgn h LEU 25 Cb 1.12 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1dgn h LEU 25 CO 0.06 0.43 0.10 0.17 -0.13 0.00 0.00 178.44 179.07 1dgn h LEU 26 N -1.01 0.00 -0.35 2.25 8.10 -1.03 -1.03 115.31 122.24 1dgn h LEU 26 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 1dgn h LEU 26 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1dgn h LEU 26 CO 0.02 0.00 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.56 1dgn h ASP 27 N 0.00 0.62 -0.57 0.17 3.58 -1.59 -3.02 116.42 115.60 1dgn h ASP 27 Ca 0.06 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1dgn h ASP 27 Cb 0.25 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1dgn h ASP 27 CO -0.00 0.79 0.26 0.00 -2.88 0.00 0.00 179.24 177.41 1dgn h LEU 29 N 0.78 -0.09 -0.68 0.00 3.38 -1.30 0.15 115.31 117.56 1dgn h LEU 29 Ca 0.20 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.38 1dgn h LEU 29 Cb 0.14 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1dgn h LEU 29 CO -0.02 -0.07 0.36 -0.07 0.09 0.00 0.00 178.44 178.73 1dgn h LEU 30 N 0.22 0.52 -0.86 1.67 3.38 -1.37 -0.67 115.31 118.19 1dgn h LEU 30 Ca 0.39 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.62 1dgn h LEU 30 Cb 0.65 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 1dgn h LEU 30 CO -0.52 0.33 0.21 -0.08 0.09 0.00 0.00 178.44 178.46 1dgn h GLU 31 N 0.66 0.20 0.00 1.13 4.22 -0.60 1.40 114.58 121.58 1dgn h GLU 31 Ca 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1dgn h GLU 31 Cb 0.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1dgn h GLU 31 CO -0.21 0.13 0.00 -0.44 -2.18 0.00 0.00 179.01 176.31 1dgn h ASP 32 N 0.20 0.00 -2.84 1.04 3.32 -1.12 -3.47 116.42 113.55 1dgn h ASP 32 Ca 0.53 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.27 1dgn h ASP 32 Cb 1.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.61 1dgn h ASP 32 CO -0.65 0.00 -0.43 -0.62 -1.72 0.00 0.00 179.24 175.81 1dgn n GLU 33 N -2.78 -2.39 0.03 3.56 1.02 0.48 -4.92 120.64 115.65 1dgn n GLU 33 Ca 0.05 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.74 1dgn n GLU 33 Cb 0.49 -5.14 -0.09 0.00 -0.02 0.00 0.00 31.44 26.68 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1dgn h VAL 34 N -0.48 1.30 -3.52 2.62 3.04 -1.78 -3.45 116.25 113.97 1dgn h VAL 34 Ca -0.39 -2.22 -0.51 0.00 -1.01 0.00 0.00 66.70 62.57 1dgn h VAL 34 Cb 1.28 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 32.85 1dgn h VAL 34 CO 0.44 0.69 0.01 0.27 -1.01 0.00 0.00 177.57 177.97 1dgn s ILE 35 N -3.40 4.86 0.22 3.17 -4.36 -1.26 -4.99 121.20 115.44 1dgn s ILE 35 Ca -0.09 0.48 -0.12 0.00 -0.26 0.00 0.00 60.65 60.66 1dgn s ILE 35 Cb 0.08 -3.70 -0.07 0.00 1.25 0.00 0.00 42.46 40.01 1dgn s ILE 35 CO 0.91 -0.36 0.58 -0.44 0.24 0.00 0.00 174.94 175.87 1dgn s SER 36 N -2.94 6.70 0.47 4.36 0.01 -1.26 -4.89 113.70 116.15 1dgn s SER 36 Ca 0.49 1.01 0.29 0.00 1.31 0.00 0.00 55.95 59.06 1dgn s SER 36 Cb -0.11 -2.26 1.37 0.00 0.21 0.00 0.00 66.02 65.23 1dgn s SER 36 CO 0.28 -0.05 1.74 -0.61 0.41 0.00 0.00 173.24 175.01 1dgn h GLN 37 N 2.75 0.16 -0.15 12.44 -0.00 -1.98 1.30 115.11 129.64 1dgn h GLN 37 Ca -0.47 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.03 1dgn h GLN 37 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.61 1dgn h GLN 37 CO 0.68 0.11 -0.47 0.93 0.00 0.00 0.00 178.83 180.07 1dgn h GLU 38 N 0.17 0.39 0.06 1.69 5.08 -2.00 -2.85 114.58 117.12 1dgn h GLU 38 Ca 0.65 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1dgn h GLU 38 Cb 2.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1dgn h GLU 38 CO -0.20 0.78 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.12 1dgn h ASP 39 N 0.31 -0.07 -1.07 1.42 5.19 0.12 -2.91 116.42 119.42 1dgn h ASP 39 Ca 0.02 -0.51 0.30 0.00 -0.62 0.00 0.00 57.03 56.22 1dgn h ASP 39 Cb 0.95 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.42 1dgn h ASP 39 CO 0.08 0.51 0.75 -0.03 -3.12 0.00 0.00 179.24 177.43 1dgn h MET 40 N -0.69 0.09 -0.37 3.56 4.05 -1.10 0.48 114.93 120.95 1dgn h MET 40 Ca -0.01 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.29 1dgn h MET 40 Cb 0.57 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1dgn h MET 40 CO 0.01 0.06 -0.22 -0.91 0.23 0.00 0.00 176.91 176.09 1dgn h ASN 41 N 0.09 0.84 -0.57 1.39 -0.26 -1.38 -1.05 115.58 114.65 1dgn h ASN 41 Ca 0.53 -0.42 0.11 0.00 -0.56 0.00 0.00 56.30 55.96 1dgn h ASN 41 Cb 1.92 -0.23 -0.09 0.00 -1.06 0.00 0.00 38.32 38.85 1dgn h ASN 41 CO -0.07 1.08 0.01 0.50 -1.06 0.00 0.00 177.43 177.89 1dgn h LYS 42 N 0.60 0.13 -0.03 0.81 3.64 0.16 0.79 116.57 122.66 1dgn h LYS 42 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1dgn h LYS 42 Cb 0.78 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1dgn h LYS 42 CO 0.06 0.08 -0.05 0.28 -2.27 0.00 0.00 179.45 177.55 1dgn h VAL 43 N 0.13 1.41 0.00 2.00 2.07 -1.48 -2.96 116.25 117.43 1dgn h VAL 43 Ca 0.29 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1dgn h VAL 43 Cb 0.46 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1dgn h VAL 43 CO -0.47 0.35 0.00 -1.14 0.02 0.00 0.00 177.57 176.33 1dgn n ARG 44 N -4.75 0.05 0.07 1.57 0.00 -0.40 -1.79 116.66 111.41 1dgn n ARG 44 Ca -0.08 0.46 0.08 0.00 -0.00 0.00 0.00 57.85 58.30 1dgn n ARG 44 Cb 0.31 -1.64 0.35 0.00 0.00 0.00 0.00 32.46 31.47 1dgn n ARG 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1dgn n ASP 45 N -1.75 0.29 -3.10 6.15 -0.08 0.27 -4.92 116.55 113.41 1dgn n ASP 45 Ca 0.01 0.60 -0.17 0.00 -1.51 0.00 0.00 54.79 53.72 1dgn n ASP 45 Cb 0.08 -0.65 0.02 0.00 2.34 0.00 0.00 41.12 42.91 1dgn n ASP 45 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1dgn n GLU 46 N -1.85 -2.14 -0.04 -0.67 1.02 -0.74 -4.94 120.64 111.28 1dgn n GLU 46 Ca 0.01 1.82 -0.14 0.00 -0.02 0.00 0.00 57.16 58.84 1dgn n GLU 46 Cb 0.13 -3.82 -0.12 0.00 -0.02 0.00 0.00 31.44 27.61 1dgn n GLU 46 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1dgn h ASN 47 N 2.39 0.02 0.00 1.62 7.08 -1.85 -3.50 115.58 121.33 1dgn h ASN 47 Ca -0.20 -0.78 0.00 0.00 -3.08 0.00 0.00 56.30 52.25 1dgn h ASN 47 Cb 1.00 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.23 1dgn h ASN 47 CO 0.17 0.80 0.00 -0.67 -2.08 0.00 0.00 177.43 175.65 1dgn n ASP 48 N -4.70 1.99 -3.48 6.14 -0.08 -1.26 -5.05 116.55 110.11 1dgn n ASP 48 Ca -0.09 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.88 1dgn n ASP 48 Cb 0.39 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.12 1dgn n ASP 48 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1dgn s THR 49 N 0.63 1.34 0.43 5.18 -4.23 -1.26 -4.55 115.64 113.17 1dgn s THR 49 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 1dgn s THR 49 Cb 0.00 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.86 1dgn s THR 49 CO 0.00 0.00 1.97 0.58 -0.54 0.00 0.00 174.62 176.63 1dgn h VAL 50 N -3.07 0.87 -0.96 2.29 2.07 -1.97 -1.03 116.25 114.45 1dgn h VAL 50 Ca -0.42 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1dgn h VAL 50 Cb 1.31 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1dgn h VAL 50 CO 0.27 0.08 0.60 0.24 0.02 0.00 0.00 177.57 178.78 1dgn h MET 51 N 0.41 0.99 0.14 1.57 2.86 -1.90 0.33 114.93 119.34 1dgn h MET 51 Ca 0.30 -0.06 -0.32 0.00 -2.06 0.00 0.00 59.70 57.56 1dgn h MET 51 Cb 0.61 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1dgn h MET 51 CO -0.09 0.66 -1.61 -0.44 1.06 0.00 0.00 176.91 176.49 1dgn h ASP 52 N 1.02 0.46 0.28 1.22 5.19 -1.56 -2.91 116.42 120.13 1dgn h ASP 52 Ca 0.45 -0.66 -0.12 0.00 -0.62 0.00 0.00 57.03 56.08 1dgn h ASP 52 Cb 0.33 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1dgn h ASP 52 CO -0.22 1.56 -0.48 0.11 -3.12 0.00 0.00 179.24 177.08 1dgn h LYS 53 N 0.08 0.24 0.11 3.56 1.57 -0.93 -3.04 116.57 118.16 1dgn h LYS 53 Ca -0.28 -0.13 -0.27 0.00 -1.87 0.00 0.00 60.65 58.10 1dgn h LYS 53 Cb 2.05 0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.37 1dgn h LYS 53 CO 0.17 0.67 -1.20 0.00 -0.57 0.00 0.00 179.45 178.51 1dgn h ALA 54 N 1.31 0.13 -0.69 3.86 0.00 -0.48 -2.75 119.26 120.64 1dgn h ALA 54 Ca 0.01 -0.85 0.06 0.00 0.00 0.00 0.00 54.91 54.14 1dgn h ALA 54 Cb 0.92 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1dgn h ALA 54 CO 0.07 0.91 0.39 -0.09 0.00 0.00 0.00 179.25 180.53 1dgn h ARG 55 N 0.11 0.69 0.00 0.00 2.43 -1.43 -1.99 114.38 114.20 1dgn h ARG 55 Ca -0.13 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1dgn h ARG 55 Cb 1.91 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 31.31 1dgn h ARG 55 CO 0.20 0.46 -0.37 -0.39 -1.51 0.00 0.00 179.97 178.35 1dgn h VAL 56 N 0.71 1.51 -0.25 0.20 -1.51 -1.62 -2.97 116.25 112.32 1dgn h VAL 56 Ca 0.31 -2.02 0.06 0.00 -1.23 0.00 0.00 66.70 63.82 1dgn h VAL 56 Cb 0.19 2.74 -0.08 0.00 -2.13 0.00 0.00 31.29 32.02 1dgn h VAL 56 CO -0.18 0.56 -0.39 0.25 -1.23 0.00 0.00 177.57 176.58 1dgn h LEU 57 N -0.38 -1.24 -1.09 4.19 5.85 -1.31 0.16 115.31 121.48 1dgn h LEU 57 Ca -0.05 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1dgn h LEU 57 Cb 1.13 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 1dgn h LEU 57 CO 0.07 -0.38 0.48 -0.29 -0.34 0.00 0.00 178.44 177.98 1dgn h ILE 58 N -0.39 1.23 0.64 4.05 2.10 -1.49 -2.97 117.51 120.67 1dgn h ILE 58 Ca 0.11 -0.52 -0.03 0.00 1.08 0.00 0.00 64.86 65.51 1dgn h ILE 58 Cb 0.59 0.10 0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1dgn h ILE 58 CO -0.46 0.24 -0.31 -0.78 -1.08 0.00 0.00 178.15 175.76 1dgn h ASP 59 N 1.12 -0.73 -0.85 2.19 3.58 -1.05 -3.03 116.42 117.66 1dgn h ASP 59 Ca 0.29 -0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.95 1dgn h ASP 59 Cb -0.03 0.19 -0.15 0.00 1.72 0.00 0.00 39.33 41.06 1dgn h ASP 59 CO -0.05 -0.46 0.07 -0.07 -2.88 0.00 0.00 179.24 175.84 1dgn h LEU 60 N -0.94 -0.29 0.09 2.28 3.38 -0.64 -1.18 115.31 118.01 1dgn h LEU 60 Ca -0.09 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1dgn h LEU 60 Cb 0.68 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1dgn h LEU 60 CO 0.14 -0.21 -0.53 0.58 0.09 0.00 0.00 178.44 178.51 1dgn h VAL 61 N 0.11 0.01 0.00 1.22 2.07 -1.41 0.11 116.25 118.36 1dgn h VAL 61 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1dgn h VAL 61 Cb 0.94 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1dgn h VAL 61 CO -0.73 0.00 0.08 0.74 0.02 0.00 0.00 177.57 177.68 1dgn h THR 62 N -0.73 0.00 0.00 2.57 2.02 -1.18 -0.76 112.91 114.83 1dgn h THR 62 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1dgn h THR 62 Cb 0.75 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1dgn h THR 62 CO -0.30 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.20 1dgn n GLY 63 N -1.11 -0.04 2.70 2.16 0.00 0.36 -3.35 105.19 105.92 1dgn n GLY 63 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1dgn n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgn n LYS 64 N -0.29 1.63 -0.75 1.61 4.76 -0.29 -5.05 118.16 119.77 1dgn n LYS 64 Ca 0.00 -3.47 0.09 0.00 -2.87 0.00 0.00 58.31 52.07 1dgn n LYS 64 Cb 0.09 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgn n GLY 65 N -0.35 -2.82 0.00 0.72 0.00 -1.21 -4.22 105.19 97.30 1dgn n GLY 65 Ca 0.11 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 44.98 1dgn n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dgn n PRO 66 N -3.29 0.03 0.28 1.61 -0.04 -1.26 -3.10 135.00 129.23 1dgn n PRO 66 Ca -0.04 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1dgn n PRO 66 Cb 0.36 -1.50 0.84 0.00 -0.04 0.00 0.00 33.50 33.16 1dgn n PRO 66 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1dgn h LYS 67 N 0.00 0.00 0.04 0.54 3.64 -1.96 -1.21 116.57 117.61 1dgn h LYS 67 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1dgn h LYS 67 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1dgn h LYS 67 CO 0.00 0.04 -1.05 1.03 -2.27 0.00 0.00 179.45 177.20 1dgn h SER 68 N 0.00 0.14 -1.01 4.20 0.87 -1.71 -3.29 113.55 112.74 1dgn h SER 68 Ca -0.00 -0.14 0.24 0.00 -1.23 0.00 0.00 61.79 60.66 1dgn h SER 68 Cb 0.10 -0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 61.91 1dgn h SER 68 CO 0.00 1.09 0.64 0.00 -0.53 0.00 0.00 176.83 178.03 1dgn h LYS 71 N -0.13 0.00 0.16 0.00 1.57 -1.65 -0.47 116.57 116.04 1dgn h LYS 71 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1dgn h LYS 71 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1dgn h LYS 71 CO 0.02 0.00 -0.08 0.35 -0.57 0.00 0.00 179.45 179.17 1dgn h PHE 72 N 0.00 -0.20 -0.22 -1.35 3.04 -0.99 -1.14 116.94 116.09 1dgn h PHE 72 Ca 0.32 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.26 1dgn h PHE 72 Cb 1.67 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.23 1dgn h PHE 72 CO 0.00 0.23 0.11 0.82 -2.02 0.00 0.00 178.31 177.44 1dgn h ILE 73 N -0.75 1.08 0.05 1.41 2.04 -0.14 -1.24 117.51 119.97 1dgn h ILE 73 Ca -0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1dgn h ILE 73 Cb 0.52 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1dgn h ILE 73 CO 0.04 0.09 -0.03 0.11 0.00 0.00 0.00 178.15 178.36 1dgn h LYS 74 N 0.30 -0.07 -0.17 2.37 1.57 -1.37 -2.53 116.57 116.67 1dgn h LYS 74 Ca 0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1dgn h LYS 74 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1dgn h LYS 74 CO -0.01 0.54 0.11 0.45 -0.57 0.00 0.00 179.45 179.97 1dgn h HIS 75 N -0.79 0.17 -0.03 -1.35 3.86 -1.04 -1.63 115.15 114.35 1dgn h HIS 75 Ca -0.01 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1dgn h HIS 75 Cb 0.64 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1dgn h HIS 75 CO 0.14 0.11 -0.81 1.25 0.86 0.00 0.00 177.93 179.48 1dgn h LEU 76 N 0.18 0.34 -0.28 2.43 5.85 -1.27 -2.78 115.31 119.79 1dgn h LEU 76 Ca 0.07 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1dgn h LEU 76 Cb 0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1dgn h LEU 76 CO -0.01 1.01 0.15 0.00 -0.34 0.00 0.00 178.44 179.25 1dgn h GLU 78 N 0.31 0.00 0.01 0.00 4.11 -1.60 -3.15 114.58 114.27 1dgn h GLU 78 Ca 0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.29 1dgn h GLU 78 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1dgn h GLU 78 CO -0.07 0.37 -1.30 0.93 0.07 0.00 0.00 179.01 179.01 1dgn h GLU 79 N 0.00 0.03 -1.92 1.06 4.39 -1.17 -3.44 114.58 113.54 1dgn h GLU 79 Ca -0.00 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 1dgn h GLU 79 Cb 1.11 0.02 -0.31 0.00 -0.10 0.00 0.00 28.75 29.47 1dgn h GLU 79 CO 0.05 0.84 -0.59 0.34 -1.16 0.00 0.00 179.01 178.49 1dgn s ASP 80 N -6.53 1.01 0.12 1.42 -1.08 0.16 -4.90 116.67 106.86 1dgn s ASP 80 Ca -0.02 -0.58 0.26 0.00 -0.52 0.00 0.00 52.55 51.69 1dgn s ASP 80 Cb 0.09 0.81 0.81 0.00 -1.46 0.00 0.00 42.92 43.17 1dgn s ASP 80 CO 0.83 -0.37 1.70 -0.81 0.52 0.00 0.00 175.17 177.04 1dgn n PRO 81 N 5.32 0.18 0.08 4.34 -0.04 -1.19 -2.40 135.00 141.28 1dgn n PRO 81 Ca -0.01 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1dgn n PRO 81 Cb 0.48 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 1dgn n PRO 81 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1dgn h GLN 82 N 0.00 -0.25 -0.22 0.54 4.15 -1.94 -3.05 115.11 114.34 1dgn h GLN 82 Ca 0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1dgn h GLN 82 Cb 0.66 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1dgn h GLN 82 CO 0.00 -0.16 0.07 1.25 -1.93 0.00 0.00 178.83 178.05 1dgn h LEU 83 N -0.70 0.33 -1.00 -2.39 5.85 -1.96 -1.87 115.31 113.57 1dgn h LEU 83 Ca -0.03 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1dgn h LEU 83 Cb 0.20 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1dgn h LEU 83 CO 0.04 0.45 0.29 0.00 -0.34 0.00 0.00 178.44 178.88 1dgn h ALA 84 N 0.89 1.20 -0.86 1.25 0.00 -1.63 0.35 119.26 120.47 1dgn h ALA 84 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1dgn h ALA 84 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1dgn h ALA 84 CO -0.00 -0.20 0.55 1.03 0.00 0.00 0.00 179.25 180.63 1dgn h SER 85 N 0.00 0.67 0.49 0.00 0.87 -1.22 2.19 113.55 116.55 1dgn h SER 85 Ca 0.00 0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1dgn h SER 85 Cb 0.58 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1dgn h SER 85 CO 0.00 0.37 -1.49 0.11 -0.53 0.00 0.00 176.83 175.29 1dgn h LYS 86 N 0.73 0.24 -0.63 2.24 1.57 -1.11 -3.28 116.57 116.32 1dgn h LYS 86 Ca 0.41 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1dgn h LYS 86 Cb 0.58 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1dgn h LYS 86 CO -0.18 1.10 0.00 -1.33 -0.57 0.00 0.00 179.45 178.47 1dgn n MET 87 N -3.44 2.97 -1.78 3.15 2.81 -0.39 -4.35 117.12 116.09 1dgn n MET 87 Ca -0.15 -1.92 -0.34 0.00 -1.81 0.00 0.00 57.70 53.48 1dgn n MET 87 Cb 1.04 -1.75 0.05 0.00 -0.71 0.00 0.00 33.22 31.85 1dgn n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dgn n GLY 88 N 0.75 5.86 0.37 3.03 0.00 0.73 -4.82 105.19 111.10 1dgn n GLY 88 Ca 0.17 -2.48 0.29 0.00 0.00 0.00 0.00 46.02 44.01 1dgn n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgn n LEU 89 N -0.71 0.09 0.00 0.99 7.99 -1.26 -4.99 117.00 119.11 1dgn n LEU 89 Ca 0.54 0.81 0.02 0.00 -0.01 0.00 0.00 56.01 57.37 1dgn n LEU 89 Cb 0.57 -0.40 0.12 0.00 -0.11 0.00 0.00 43.42 43.59 1dgn n LEU 89 CO 0.58 -0.86 0.36 1.57 -1.51 0.00 0.00 177.39 177.53