#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 -1.07 -0.35 0.00 1.47 -1.26 -5.03 116.67 110.44 1dgn s ASP 3 Ca 0.00 -1.21 0.15 0.00 1.18 0.00 0.00 52.55 52.67 1dgn s ASP 3 Cb 0.00 1.40 0.44 0.00 -0.34 0.00 0.00 42.92 44.42 1dgn s ASP 3 CO 0.00 -0.04 1.11 0.00 0.68 0.00 0.00 175.17 176.92 1dgn n GLN 4 N 2.95 1.19 0.08 2.11 1.13 -1.26 -4.97 117.38 118.61 1dgn n GLN 4 Ca 0.15 -2.72 -0.13 0.00 -1.94 0.00 0.00 57.00 52.36 1dgn n GLN 4 Cb 0.59 -0.80 -0.08 0.00 0.11 0.00 0.00 30.24 30.05 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 2.59 -0.14 0.18 1.08 6.46 -2.00 -3.11 115.31 120.36 1dgn h LEU 5 Ca -0.17 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1dgn h LEU 5 Cb 1.23 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.15 1dgn h LEU 5 CO 0.27 0.08 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.61 1dgn h LEU 6 N -0.37 -1.47 -0.90 2.25 -0.00 -1.93 0.21 115.31 113.10 1dgn h LEU 6 Ca -0.02 0.15 0.11 0.00 -0.00 0.00 0.00 57.88 58.12 1dgn h LEU 6 Cb 0.30 0.54 -0.13 0.00 -0.00 0.00 0.00 40.66 41.37 1dgn h LEU 6 CO 0.03 -0.56 -0.44 -1.14 -0.00 0.00 0.00 178.44 176.33 1dgn n ARG 7 N -5.50 -0.30 -0.08 1.13 3.00 -1.23 0.25 116.66 113.93 1dgn n ARG 7 Ca -0.09 1.37 -0.12 0.00 -0.00 0.00 0.00 57.85 59.01 1dgn n ARG 7 Cb 0.41 -2.03 -0.05 0.00 0.00 0.00 0.00 32.46 30.80 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 0.47 -0.42 -0.14 1.57 -1.42 -2.77 116.57 113.86 1dgn h LYS 8 Ca 0.23 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dgn h LYS 8 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1dgn h LYS 8 CO -0.87 0.72 0.00 1.63 -0.57 0.00 0.00 179.45 180.36 1dgn n LYS 9 N -4.54 1.24 -0.11 3.15 4.76 0.73 -3.94 118.16 119.46 1dgn n LYS 9 Ca -0.04 -0.27 -0.04 0.00 -2.87 0.00 0.00 58.31 55.09 1dgn n LYS 9 Cb 0.31 -1.26 0.17 0.00 -1.84 0.00 0.00 35.03 32.41 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 0.39 0.79 0.01 1.97 2.43 0.36 -0.18 114.38 120.15 1dgn h ARG 10 Ca 0.00 -0.20 -0.20 0.00 -0.81 0.00 0.00 59.98 58.77 1dgn h ARG 10 Cb 0.31 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1dgn h ARG 10 CO 0.02 0.78 -0.94 0.00 -1.51 0.00 0.00 179.97 178.32 1dgn h ARG 11 N 0.74 0.07 0.19 0.20 3.08 -1.80 -2.93 114.38 113.92 1dgn h ARG 11 Ca 0.15 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1dgn h ARG 11 Cb 0.43 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1dgn h ARG 11 CO 0.02 0.95 -0.09 0.82 -1.07 0.00 0.00 179.97 180.60 1dgn h ILE 12 N 0.03 0.36 0.41 2.04 2.04 -1.75 -2.99 117.51 117.64 1dgn h ILE 12 Ca -0.03 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1dgn h ILE 12 Cb 1.63 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1dgn h ILE 12 CO 0.13 0.10 -0.41 0.15 0.00 0.00 0.00 178.15 178.12 1dgn h PHE 13 N -1.02 -1.12 -0.60 1.37 3.04 -1.18 -2.86 116.94 114.57 1dgn h PHE 13 Ca -0.03 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.05 1dgn h PHE 13 Cb 0.36 0.44 -0.12 0.00 2.56 0.00 0.00 35.95 39.19 1dgn h PHE 13 CO 0.04 -0.57 -0.20 0.97 -2.02 0.00 0.00 178.31 176.53 1dgn h ILE 14 N -0.84 0.32 -0.99 1.41 2.10 -1.68 0.02 117.51 117.85 1dgn h ILE 14 Ca -0.04 0.00 -0.57 0.00 1.08 0.00 0.00 64.86 65.33 1dgn h ILE 14 Cb 0.75 0.32 -0.14 0.00 -1.09 0.00 0.00 36.82 36.66 1dgn h ILE 14 CO -0.06 0.00 1.18 1.41 -1.08 0.00 0.00 178.15 179.59 1dgn n HIS 15 N -5.43 1.86 0.07 2.19 8.25 -1.09 -4.16 115.22 116.91 1dgn n HIS 15 Ca 0.06 -2.26 0.00 0.00 -0.26 0.00 0.00 57.72 55.26 1dgn n HIS 15 Cb 0.33 -1.60 0.00 0.00 1.12 0.00 0.00 29.99 29.85 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 1.39 -1.24 -4.70 0.41 7.64 -0.65 -4.89 113.62 111.58 1dgn n SER 16 Ca 0.54 0.35 -0.65 0.00 1.01 0.00 0.00 58.87 60.13 1dgn n SER 16 Cb 0.46 1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 64.96 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 -2.76 0.04 -2.92 0.44 3.14 -0.10 -4.89 118.33 111.28 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 -0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 32.21 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 2.45 2.78 0.61 7.55 0.00 -1.26 -4.90 107.32 114.54 1dgn s GLY 18 Ca 1.01 0.38 0.26 0.00 0.00 0.00 0.00 44.72 46.36 1dgn s GLY 18 CO 0.75 0.81 1.35 0.00 0.00 0.00 0.00 173.10 176.01 1dgn h ALA 19 N 3.50 2.83 0.08 3.20 0.00 -1.99 -0.57 119.26 126.32 1dgn h ALA 19 Ca -0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1dgn h ALA 19 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dgn h ALA 19 CO 0.65 -1.60 -0.04 0.78 0.00 0.00 0.00 179.25 179.04 1dgn h GLY 20 N 0.00 -0.11 -0.70 0.00 0.00 -2.00 -3.34 103.07 96.92 1dgn h GLY 20 Ca 0.44 0.04 0.37 0.00 0.00 0.00 0.00 47.33 48.18 1dgn h GLY 20 CO -0.00 -0.04 0.84 -0.84 0.00 0.00 0.00 176.54 176.49 1dgn h THR 21 N -0.82 0.31 0.32 4.70 2.02 -1.46 -1.28 112.91 116.69 1dgn h THR 21 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1dgn h THR 21 Cb 0.08 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1dgn h THR 21 CO 0.02 0.03 -0.48 0.40 0.37 0.00 0.00 175.52 175.86 1dgn h ILE 22 N 0.17 0.06 -0.86 3.11 2.04 -1.59 0.68 117.51 121.12 1dgn h ILE 22 Ca 0.70 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.67 1dgn h ILE 22 Cb 2.25 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1dgn h ILE 22 CO -0.26 0.00 0.55 -1.13 0.00 0.00 0.00 178.15 177.31 1dgn h ASN 23 N -0.85 0.70 1.10 1.72 -0.73 -1.36 -0.26 115.58 115.90 1dgn h ASN 23 Ca -0.03 0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 1dgn h ASN 23 Cb 0.79 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.24 1dgn h ASN 23 CO -0.16 0.40 -0.64 0.00 -0.37 0.00 0.00 177.43 176.66 1dgn h ALA 24 N 1.58 0.68 0.26 1.57 0.00 -1.28 -2.78 119.26 119.30 1dgn h ALA 24 Ca 0.41 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1dgn h ALA 24 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dgn h ALA 24 CO -0.17 0.80 -0.12 1.25 0.00 0.00 0.00 179.25 181.00 1dgn h LEU 25 N 0.00 -0.29 -2.08 0.00 7.12 0.20 -3.00 115.31 117.25 1dgn h LEU 25 Ca -0.01 -0.05 0.01 0.00 0.13 0.00 0.00 57.88 57.96 1dgn h LEU 25 Cb 1.36 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.56 1dgn h LEU 25 CO 0.08 0.18 0.02 0.17 -0.13 0.00 0.00 178.44 178.76 1dgn h LEU 26 N -1.07 0.00 -0.48 2.25 8.10 -1.26 -1.61 115.31 121.23 1dgn h LEU 26 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 1dgn h LEU 26 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.52 1dgn h LEU 26 CO 0.06 0.00 0.22 -0.78 -4.11 0.00 0.00 178.44 173.83 1dgn h ASP 27 N 0.00 0.63 -0.51 0.17 3.58 -1.56 -2.73 116.42 116.01 1dgn h ASP 27 Ca 0.01 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 1dgn h ASP 27 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1dgn h ASP 27 CO -0.00 0.59 0.11 0.00 -2.88 0.00 0.00 179.24 177.06 1dgn h LEU 29 N 0.72 0.02 -0.62 0.00 3.38 -1.22 -0.28 115.31 117.29 1dgn h LEU 29 Ca 0.16 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.31 1dgn h LEU 29 Cb 0.36 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1dgn h LEU 29 CO 0.01 0.01 0.33 -0.07 0.09 0.00 0.00 178.44 178.80 1dgn h LEU 30 N 0.27 0.49 -0.84 1.67 3.38 -1.32 -1.16 115.31 117.80 1dgn h LEU 30 Ca 0.34 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.55 1dgn h LEU 30 Cb 0.52 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 1dgn h LEU 30 CO -0.43 0.32 0.14 -0.08 0.09 0.00 0.00 178.44 178.48 1dgn h GLU 31 N 0.62 0.16 0.00 1.13 4.22 -0.94 1.35 114.58 121.12 1dgn h GLU 31 Ca 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1dgn h GLU 31 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dgn h GLU 31 CO -0.18 0.10 0.00 -0.44 -2.18 0.00 0.00 179.01 176.31 1dgn h ASP 32 N 0.16 0.00 -3.21 1.04 5.19 -1.20 -3.47 116.42 114.94 1dgn h ASP 32 Ca 0.50 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.62 1dgn h ASP 32 Cb 0.96 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.51 1dgn h ASP 32 CO -0.67 0.00 -0.42 -0.62 -3.12 0.00 0.00 179.24 174.40 1dgn n GLU 33 N -2.73 -3.32 0.01 3.56 1.02 0.46 -4.93 120.64 114.71 1dgn n GLU 33 Ca 0.04 0.65 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 1dgn n GLU 33 Cb 0.45 -4.95 -0.10 0.00 -0.02 0.00 0.00 31.44 26.82 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 -0.92 1.33 -3.43 2.62 3.04 -1.77 -3.45 116.25 113.67 1dgn h VAL 34 Ca -0.37 -2.12 -0.50 0.00 -1.01 0.00 0.00 66.70 62.70 1dgn h VAL 34 Cb 1.26 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.93 1dgn h VAL 34 CO 0.40 0.64 -0.00 0.27 -1.01 0.00 0.00 177.57 177.87 1dgn s ILE 35 N -3.37 4.92 0.14 3.17 -4.36 -1.26 -4.97 121.20 115.46 1dgn s ILE 35 Ca -0.11 0.27 -0.03 0.00 -0.26 0.00 0.00 60.65 60.52 1dgn s ILE 35 Cb 0.06 -3.76 -0.05 0.00 1.25 0.00 0.00 42.46 39.96 1dgn s ILE 35 CO 0.88 -0.50 0.34 -0.44 0.24 0.00 0.00 174.94 175.46 1dgn s SER 36 N -3.37 6.44 0.50 4.36 0.01 -1.26 -4.89 113.70 115.49 1dgn s SER 36 Ca 0.47 0.48 0.35 0.00 1.31 0.00 0.00 55.95 58.56 1dgn s SER 36 Cb -0.10 -2.04 1.48 0.00 0.21 0.00 0.00 66.02 65.56 1dgn s SER 36 CO 0.33 0.06 1.72 -0.61 0.41 0.00 0.00 173.24 175.15 1dgn h GLN 37 N 2.71 0.09 -0.44 12.44 5.75 -1.98 1.39 115.11 135.06 1dgn h GLN 37 Ca -0.46 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 57.92 1dgn h GLN 37 Cb 1.17 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1dgn h GLN 37 CO 0.72 0.06 -0.16 0.93 -2.65 0.00 0.00 178.83 177.73 1dgn h GLU 38 N 0.09 0.84 0.09 1.69 4.39 -1.99 -2.29 114.58 117.40 1dgn h GLU 38 Ca 0.69 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 1dgn h GLU 38 Cb 2.46 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.06 1dgn h GLU 38 CO -0.14 0.94 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.17 1dgn h ASP 39 N 0.75 -0.10 -1.17 1.42 3.32 0.14 -2.87 116.42 117.90 1dgn h ASP 39 Ca 0.11 -0.49 0.33 0.00 0.02 0.00 0.00 57.03 57.01 1dgn h ASP 39 Cb 0.68 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 1dgn h ASP 39 CO 0.05 0.51 0.82 -0.03 -1.72 0.00 0.00 179.24 178.88 1dgn h MET 40 N -0.80 0.06 -0.27 3.56 4.05 -0.97 0.82 114.93 121.39 1dgn h MET 40 Ca -0.01 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 1dgn h MET 40 Cb 0.58 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1dgn h MET 40 CO 0.02 0.04 -0.59 -0.91 0.23 0.00 0.00 176.91 175.70 1dgn h ASN 41 N 0.06 0.97 -0.65 1.39 -0.26 -1.35 -2.24 115.58 113.50 1dgn h ASN 41 Ca 0.57 -0.54 0.14 0.00 -0.56 0.00 0.00 56.30 55.91 1dgn h ASN 41 Cb 2.15 -0.28 -0.11 0.00 -1.06 0.00 0.00 38.32 39.02 1dgn h ASN 41 CO -0.06 1.34 -0.02 0.50 -1.06 0.00 0.00 177.43 178.13 1dgn h LYS 42 N 0.65 0.09 -0.16 0.81 1.63 0.90 2.21 116.57 122.70 1dgn h LYS 42 Ca 0.00 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 1dgn h LYS 42 Cb 1.20 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1dgn h LYS 42 CO 0.13 0.06 -0.24 0.28 -3.45 0.00 0.00 179.45 176.23 1dgn h VAL 43 N 0.10 1.35 0.00 2.00 2.07 -1.52 -2.96 116.25 117.29 1dgn h VAL 43 Ca 0.34 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1dgn h VAL 43 Cb 0.56 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1dgn h VAL 43 CO -0.58 0.44 0.00 -1.14 0.02 0.00 0.00 177.57 176.31 1dgn n ARG 44 N -4.44 0.78 0.00 1.57 3.00 -0.46 -3.35 116.66 113.76 1dgn n ARG 44 Ca -0.06 0.01 0.04 0.00 -0.00 0.00 0.00 57.85 57.83 1dgn n ARG 44 Cb 0.43 -1.50 0.18 0.00 0.00 0.00 0.00 32.46 31.57 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 -1.05 0.00 -2.94 6.15 2.03 0.74 -4.87 116.55 116.60 1dgn n ASP 45 Ca 0.19 0.26 -0.02 0.00 0.52 0.00 0.00 54.79 55.75 1dgn n ASP 45 Cb 0.11 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1dgn n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dgn n GLU 46 N -1.34 -1.47 0.00 -0.67 1.02 -1.21 -5.01 120.64 111.96 1dgn n GLU 46 Ca 0.03 1.58 0.00 0.00 -0.02 0.00 0.00 57.16 58.75 1dgn n GLU 46 Cb 0.06 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 25.94 1dgn n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dgn n ASN 47 N -1.44 0.00 0.00 1.62 3.02 -1.26 -5.09 115.26 112.11 1dgn n ASN 47 Ca 0.02 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1dgn n ASN 47 Cb 0.49 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1dgn n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dgn n ASP 48 N -1.16 4.03 -2.87 6.41 8.00 -1.26 -5.06 116.55 124.63 1dgn n ASP 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1dgn n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dgn n THR 49 N 0.00 0.00 -0.01 -3.53 -2.24 -1.26 -4.54 114.28 102.71 1dgn n THR 49 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1dgn n THR 49 Cb 0.00 -0.47 0.27 0.00 -2.10 0.00 0.00 70.33 68.02 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dgn h VAL 50 N -1.65 1.21 -0.82 2.28 2.07 -1.97 -1.60 116.25 115.77 1dgn h VAL 50 Ca 0.00 -0.90 0.12 0.00 0.82 0.00 0.00 66.70 66.74 1dgn h VAL 50 Cb 0.00 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1dgn h VAL 50 CO 0.00 0.30 0.53 0.24 0.02 0.00 0.00 177.57 178.67 1dgn h MET 51 N 0.51 0.66 0.16 1.57 2.86 -1.90 0.36 114.93 119.15 1dgn h MET 51 Ca 0.10 -0.04 -0.35 0.00 -2.06 0.00 0.00 59.70 57.35 1dgn h MET 51 Cb 0.41 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1dgn h MET 51 CO 0.02 0.44 -1.79 0.22 1.06 0.00 0.00 176.91 176.86 1dgn h ASP 52 N 0.68 0.54 0.44 1.22 1.82 -1.78 -3.05 116.42 116.30 1dgn h ASP 52 Ca 0.39 -0.94 -0.09 0.00 -0.39 0.00 0.00 57.03 56.01 1dgn h ASP 52 Cb 0.57 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1dgn h ASP 52 CO -0.16 1.80 -0.42 0.11 -1.61 0.00 0.00 179.24 178.96 1dgn h LYS 53 N 0.05 0.00 0.03 0.28 1.57 -0.94 -3.09 116.57 114.46 1dgn h LYS 53 Ca -0.36 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1dgn h LYS 53 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1dgn h LYS 53 CO 0.14 0.42 -0.01 0.00 -0.57 0.00 0.00 179.45 179.43 1dgn h ALA 54 N 1.58 -0.03 -0.92 3.86 0.00 -0.43 -2.65 119.26 120.66 1dgn h ALA 54 Ca -0.00 -0.28 0.26 0.00 0.00 0.00 0.00 54.91 54.88 1dgn h ALA 54 Cb 0.75 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 1dgn h ALA 54 CO 0.05 -0.05 0.17 -0.09 0.00 0.00 0.00 179.25 179.33 1dgn h ARG 55 N -0.97 0.10 -0.00 0.00 2.43 -1.57 0.02 114.38 114.38 1dgn h ARG 55 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dgn h ARG 55 Cb 0.58 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1dgn h ARG 55 CO 0.01 0.06 -0.00 -0.39 -1.51 0.00 0.00 179.97 178.14 1dgn h VAL 56 N 0.10 1.51 -0.47 0.20 -1.51 -1.66 -2.77 116.25 111.66 1dgn h VAL 56 Ca 0.59 -1.51 0.08 0.00 -1.23 0.00 0.00 66.70 64.64 1dgn h VAL 56 Cb 1.24 2.54 -0.10 0.00 -2.13 0.00 0.00 31.29 32.84 1dgn h VAL 56 CO -0.77 0.39 -0.39 0.25 -1.23 0.00 0.00 177.57 175.82 1dgn h LEU 57 N -0.64 -1.30 -1.81 4.19 5.85 -0.68 0.36 115.31 121.28 1dgn h LEU 57 Ca -0.00 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1dgn h LEU 57 Cb 0.64 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1dgn h LEU 57 CO 0.00 -0.34 -0.12 -0.29 -0.34 0.00 0.00 178.44 177.35 1dgn h ILE 58 N -0.26 1.01 -0.29 4.05 2.10 -1.24 -2.52 117.51 120.36 1dgn h ILE 58 Ca 0.17 -0.42 -0.09 0.00 1.08 0.00 0.00 64.86 65.61 1dgn h ILE 58 Cb 0.56 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1dgn h ILE 58 CO -0.60 0.12 -0.16 -0.78 -1.08 0.00 0.00 178.15 175.64 1dgn h ASP 59 N 0.00 0.65 0.52 2.19 3.58 -0.12 -3.08 116.42 120.16 1dgn h ASP 59 Ca -0.00 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1dgn h ASP 59 Cb 0.22 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1dgn h ASP 59 CO 0.02 0.93 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.96 1dgn h LEU 60 N 0.37 -0.65 -0.69 2.28 3.38 -0.37 -1.53 115.31 118.10 1dgn h LEU 60 Ca 0.06 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1dgn h LEU 60 Cb 0.69 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 1dgn h LEU 60 CO 0.05 -0.45 -0.32 0.58 0.09 0.00 0.00 178.44 178.39 1dgn h VAL 61 N -0.73 0.15 -0.54 1.22 2.07 -1.57 0.36 116.25 117.21 1dgn h VAL 61 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1dgn h VAL 61 Cb 0.57 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1dgn h VAL 61 CO 0.10 0.00 0.31 0.74 0.02 0.00 0.00 177.57 178.74 1dgn h THR 62 N -0.11 1.16 -0.92 2.57 2.02 -1.44 -2.47 112.91 113.73 1dgn h THR 62 Ca 0.28 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1dgn h THR 62 Cb 0.56 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1dgn h THR 62 CO -0.75 0.18 0.61 1.23 0.37 0.00 0.00 175.52 177.16 1dgn h GLY 63 N 0.81 1.32 -1.94 2.16 0.00 0.76 -1.72 103.07 104.46 1dgn h GLY 63 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dgn h GLY 63 CO -0.03 0.43 0.00 0.28 0.00 0.00 0.00 176.54 177.22 1dgn n LYS 64 N -4.42 0.87 -0.09 4.80 4.76 -0.79 -4.94 118.16 118.35 1dgn n LYS 64 Ca 0.12 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1dgn n LYS 64 Cb 0.06 -1.09 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.53 -2.04 0.06 0.72 0.00 -0.65 -4.38 105.19 99.44 1dgn n GLY 65 Ca 0.00 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.58 0.12 0.29 1.61 -0.04 -1.26 -3.14 135.00 129.99 1dgn n PRO 66 Ca -0.00 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 1dgn n PRO 66 Cb 0.04 -1.68 0.91 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.00 0.54 3.64 -1.93 -0.16 116.57 118.67 1dgn h LYS 67 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1dgn h LYS 67 Cb 0.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1dgn h LYS 67 CO 0.00 0.00 -0.91 1.03 -2.27 0.00 0.00 179.45 177.30 1dgn h SER 68 N 0.00 0.00 -1.00 4.20 0.87 -1.75 -3.31 113.55 112.56 1dgn h SER 68 Ca 0.01 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1dgn h SER 68 Cb 0.06 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.93 1dgn h SER 68 CO -0.00 0.83 0.63 0.00 -0.53 0.00 0.00 176.83 177.76 1dgn h LYS 71 N -0.55 0.17 0.13 0.00 1.57 -1.69 -2.32 116.57 113.88 1dgn h LYS 71 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1dgn h LYS 71 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1dgn h LYS 71 CO 0.02 0.11 -0.06 0.35 -0.57 0.00 0.00 179.45 179.30 1dgn h PHE 72 N 0.18 -0.16 -0.38 -1.35 3.04 -0.66 0.53 116.94 118.14 1dgn h PHE 72 Ca 0.16 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 1dgn h PHE 72 Cb 0.42 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1dgn h PHE 72 CO -0.00 -0.03 0.10 0.82 -2.02 0.00 0.00 178.31 177.18 1dgn h ILE 73 N -0.26 1.17 -0.21 1.41 2.04 -0.70 0.90 117.51 121.85 1dgn h ILE 73 Ca -0.02 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 1dgn h ILE 73 Cb 0.20 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1dgn h ILE 73 CO 0.03 0.22 -0.37 0.11 0.00 0.00 0.00 178.15 178.14 1dgn h LYS 74 N 0.54 0.63 0.14 2.37 1.57 -1.20 -2.84 116.57 117.79 1dgn h LYS 74 Ca 0.13 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1dgn h LYS 74 Cb 0.20 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1dgn h LYS 74 CO -0.00 1.01 -0.07 0.45 -0.57 0.00 0.00 179.45 180.26 1dgn h HIS 75 N 0.32 -0.18 -1.04 -1.35 3.86 -0.61 -3.07 115.15 113.09 1dgn h HIS 75 Ca 0.01 -0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.50 1dgn h HIS 75 Cb 0.96 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 1dgn h HIS 75 CO 0.09 0.23 0.71 1.25 0.86 0.00 0.00 177.93 181.07 1dgn h LEU 76 N -0.65 0.26 0.70 2.43 5.85 -0.92 -1.78 115.31 121.19 1dgn h LEU 76 Ca -0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1dgn h LEU 76 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1dgn h LEU 76 CO 0.03 0.06 -0.34 0.00 -0.34 0.00 0.00 178.44 177.85 1dgn n GLU 78 N -4.91 0.16 -0.09 0.00 0.28 -0.78 -2.25 120.64 113.05 1dgn n GLU 78 Ca -0.12 0.10 -0.12 0.00 -0.16 0.00 0.00 57.16 56.86 1dgn n GLU 78 Cb 0.37 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 1dgn n GLU 78 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1dgn n GLU 79 N -1.13 0.74 -3.04 3.44 -0.58 -0.74 -4.89 120.64 114.45 1dgn n GLU 79 Ca 0.04 0.08 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 1dgn n GLU 79 Cb 0.04 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 1dgn n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1dgn n ASP 80 N -2.95 -1.89 0.04 1.62 -0.08 0.84 -4.92 116.55 109.21 1dgn n ASP 80 Ca -0.33 -2.75 0.22 0.00 -1.51 0.00 0.00 54.79 50.42 1dgn n ASP 80 Cb 0.91 0.65 0.72 0.00 2.34 0.00 0.00 41.12 45.74 1dgn n ASP 80 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dgn h PRO 81 N 4.98 0.00 0.06 -0.67 0.11 -1.68 -0.27 132.00 134.52 1dgn h PRO 81 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1dgn h PRO 81 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dgn h PRO 81 CO 0.24 0.00 -0.03 0.37 -0.21 0.00 0.00 178.00 178.36 1dgn h GLN 82 N 0.00 -0.08 -0.51 1.05 -0.00 -1.94 -2.31 115.11 111.32 1dgn h GLN 82 Ca 0.24 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.85 1dgn h GLN 82 Cb 1.26 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.73 1dgn h GLN 82 CO -0.00 -0.05 0.16 1.25 0.00 0.00 0.00 178.83 180.18 1dgn h LEU 83 N -0.10 0.70 -2.37 -2.39 5.85 -1.90 -1.70 115.31 113.41 1dgn h LEU 83 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1dgn h LEU 83 Cb 0.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1dgn h LEU 83 CO 0.01 0.67 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1dgn h ALA 84 N 1.43 1.00 -0.81 1.25 0.00 -1.09 -1.67 119.26 119.37 1dgn h ALA 84 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1dgn h ALA 84 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1dgn h ALA 84 CO -0.01 0.00 0.53 0.66 0.00 0.00 0.00 179.25 180.43 1dgn h SER 85 N 0.00 0.77 0.68 0.00 4.64 -0.70 2.19 113.55 121.12 1dgn h SER 85 Ca 0.00 0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1dgn h SER 85 Cb 0.01 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 1dgn h SER 85 CO 0.00 0.49 -1.40 0.11 -0.87 0.00 0.00 176.83 175.16 1dgn h LYS 86 N 0.87 0.04 -0.74 4.77 1.57 -1.49 -3.31 116.57 118.29 1dgn h LYS 86 Ca 0.35 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.78 1dgn h LYS 86 Cb 0.25 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.42 1dgn h LYS 86 CO -0.12 0.80 0.32 -1.33 -0.57 0.00 0.00 179.45 178.54 1dgn n MET 87 N -3.24 3.10 -2.84 3.15 2.81 -0.54 -4.55 117.12 115.02 1dgn n MET 87 Ca -0.10 -3.07 -0.22 0.00 -1.81 0.00 0.00 57.70 52.49 1dgn n MET 87 Cb 1.01 -2.14 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 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 -0.54 4.68 0.37 3.03 0.00 0.73 -4.90 105.19 108.56 1dgn n GLY 88 Ca 0.44 -2.33 0.02 0.00 0.00 0.00 0.00 46.02 44.16 1dgn n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dgn h LEU 89 N 2.89 -1.14 0.00 0.99 -0.00 -1.82 -3.47 115.31 112.76 1dgn h LEU 89 Ca 0.13 0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 1dgn h LEU 89 Cb 0.81 0.67 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 1dgn h LEU 89 CO 0.71 -0.31 0.00 1.57 -0.00 0.00 0.00 178.44 180.41