#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 -1.32 -0.34 0.00 -4.77 -1.26 -5.02 116.67 103.96 1dgn s ASP 3 Ca 0.00 -1.57 0.15 0.00 -3.30 0.00 0.00 52.55 47.84 1dgn s ASP 3 Cb 0.00 1.73 0.44 0.00 -1.09 0.00 0.00 42.92 44.00 1dgn s ASP 3 CO 0.00 -0.05 1.10 0.00 0.70 0.00 0.00 175.17 176.92 1dgn n GLN 4 N 2.92 1.20 0.05 2.11 1.13 -1.26 -4.95 117.38 118.58 1dgn n GLN 4 Ca 0.17 -2.77 -0.11 0.00 -1.94 0.00 0.00 57.00 52.35 1dgn n GLN 4 Cb 0.57 -0.85 -0.05 0.00 0.11 0.00 0.00 30.24 30.03 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 2.62 -0.42 0.55 1.08 6.46 -2.00 -2.94 115.31 120.66 1dgn h LEU 5 Ca -0.17 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1dgn h LEU 5 Cb 1.23 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 1dgn h LEU 5 CO 0.29 -0.20 -0.49 -0.07 -0.62 0.00 0.00 178.44 177.35 1dgn h LEU 6 N -0.24 -1.32 -0.83 2.25 -0.00 -1.93 0.27 115.31 113.52 1dgn h LEU 6 Ca 0.05 0.10 0.08 0.00 -0.00 0.00 0.00 57.88 58.11 1dgn h LEU 6 Cb 0.30 0.43 -0.10 0.00 -0.00 0.00 0.00 40.66 41.28 1dgn h LEU 6 CO -0.14 -0.67 -0.46 -1.14 -0.00 0.00 0.00 178.44 176.02 1dgn n ARG 7 N -5.57 -0.34 -0.08 1.13 0.63 -1.17 0.26 116.66 111.52 1dgn n ARG 7 Ca -0.12 1.25 -0.13 0.00 -0.92 0.00 0.00 57.85 57.92 1dgn n ARG 7 Cb 0.46 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.48 1dgn n ARG 7 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1dgn h LYS 8 N 0.00 0.62 -0.75 -0.14 1.57 -1.44 -2.91 116.57 113.52 1dgn h LYS 8 Ca 0.16 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1dgn h LYS 8 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1dgn h LYS 8 CO -0.78 0.95 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 1dgn n LYS 9 N -4.31 1.53 0.05 3.15 4.76 0.96 -3.91 118.16 120.38 1dgn n LYS 9 Ca -0.05 -0.47 -0.08 0.00 -2.87 0.00 0.00 58.31 54.84 1dgn n LYS 9 Cb 0.46 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.22 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 0.63 0.38 0.00 1.97 2.43 0.38 -2.49 114.38 117.68 1dgn h ARG 10 Ca 0.00 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.78 1dgn h ARG 10 Cb 0.60 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1dgn h ARG 10 CO 0.06 0.90 -0.53 0.07 -1.51 0.00 0.00 179.97 178.96 1dgn h ARG 11 N 0.28 0.00 0.02 0.20 0.11 -1.80 -2.98 114.38 110.20 1dgn h ARG 11 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 1dgn h ARG 11 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1dgn h ARG 11 CO 0.11 0.53 -0.01 0.82 0.10 0.00 0.00 179.97 181.52 1dgn h ILE 12 N 0.00 0.00 -0.63 0.08 2.04 -1.79 -2.81 117.51 114.40 1dgn h ILE 12 Ca -0.01 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1dgn h ILE 12 Cb 1.25 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.22 1dgn h ILE 12 CO 0.07 0.00 -0.05 0.15 0.00 0.00 0.00 178.15 178.31 1dgn h PHE 13 N -0.10 -0.15 -0.07 1.37 3.57 -1.61 -1.84 116.94 118.11 1dgn h PHE 13 Ca -0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1dgn h PHE 13 Cb 0.02 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1dgn h PHE 13 CO 0.04 -0.21 0.01 0.97 -2.23 0.00 0.00 178.31 176.88 1dgn h ILE 14 N 0.07 0.97 -0.85 1.41 2.10 -1.69 -0.00 117.51 119.51 1dgn h ILE 14 Ca 0.32 -0.01 -0.54 0.00 1.08 0.00 0.00 64.86 65.71 1dgn h ILE 14 Cb 0.52 0.92 -0.13 0.00 -1.09 0.00 0.00 36.82 37.04 1dgn h ILE 14 CO -0.58 0.01 1.16 1.41 -1.08 0.00 0.00 178.15 179.07 1dgn n HIS 15 N -5.09 1.73 0.02 2.19 8.25 -0.70 -4.09 115.22 117.52 1dgn n HIS 15 Ca -0.05 -2.23 0.00 0.00 -0.26 0.00 0.00 57.72 55.17 1dgn n HIS 15 Cb 0.05 -1.64 0.00 0.00 1.12 0.00 0.00 29.99 29.52 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 1.58 -0.32 -4.51 0.41 7.64 -1.15 -4.89 113.62 112.38 1dgn n SER 16 Ca 0.55 0.13 -0.57 0.00 1.01 0.00 0.00 58.87 59.98 1dgn n SER 16 Cb 0.49 0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 64.12 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 -2.38 0.07 -2.77 0.44 3.14 -0.03 -4.93 118.33 111.87 1dgn n VAL 17 Ca 0.00 -0.02 -0.29 0.00 -2.96 0.00 0.00 64.34 61.07 1dgn n VAL 17 Cb 0.00 -0.14 -0.02 0.00 -1.06 0.00 0.00 33.84 32.62 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 0.05 1.79 0.16 7.55 0.00 -1.26 -4.98 107.32 110.63 1dgn s GLY 18 Ca 0.89 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 1dgn s GLY 18 CO 0.55 -0.13 1.66 0.00 0.00 0.00 0.00 173.10 175.18 1dgn h ALA 19 N 0.89 0.14 -0.03 3.20 0.00 -1.98 -2.61 119.26 118.88 1dgn h ALA 19 Ca -0.47 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1dgn h ALA 19 Cb 1.19 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 1dgn h ALA 19 CO 0.63 -0.52 -0.43 0.78 0.00 0.00 0.00 179.25 179.71 1dgn h GLY 20 N -0.08 -0.80 -0.69 0.00 0.00 -2.02 -2.78 103.07 96.71 1dgn h GLY 20 Ca 0.18 0.53 0.07 0.00 0.00 0.00 0.00 47.33 48.10 1dgn h GLY 20 CO -0.40 -0.24 -0.54 -0.84 0.00 0.00 0.00 176.54 174.51 1dgn h THR 21 N -0.57 0.00 -0.78 4.70 2.02 -1.87 0.90 112.91 117.31 1dgn h THR 21 Ca 0.05 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.55 1dgn h THR 21 Cb 0.66 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.92 1dgn h THR 21 CO -0.34 0.00 0.39 -0.38 0.37 0.00 0.00 175.52 175.56 1dgn n ILE 22 N -5.17 -0.33 -0.09 3.11 2.08 -1.05 0.22 119.36 118.13 1dgn n ILE 22 Ca -0.01 1.60 -0.14 0.00 0.56 0.00 0.00 62.75 64.76 1dgn n ILE 22 Cb 0.28 -2.58 -0.04 0.00 -0.75 0.00 0.00 39.64 36.55 1dgn n ILE 22 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1dgn h ASN 23 N 0.00 0.90 1.32 4.38 -0.73 -0.82 -2.17 115.58 118.46 1dgn h ASN 23 Ca 0.65 -0.50 -0.06 0.00 1.87 0.00 0.00 56.30 58.25 1dgn h ASN 23 Cb 1.71 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 40.03 1dgn h ASN 23 CO -0.61 1.23 -0.31 0.00 -0.37 0.00 0.00 177.43 177.37 1dgn h ALA 24 N 0.70 0.87 0.15 1.57 0.00 0.28 -2.89 119.26 119.94 1dgn h ALA 24 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1dgn h ALA 24 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1dgn h ALA 24 CO 0.10 0.38 -0.07 1.25 0.00 0.00 0.00 179.25 180.91 1dgn h LEU 25 N 0.00 -0.17 -1.95 0.00 7.12 -0.08 -2.98 115.31 117.24 1dgn h LEU 25 Ca -0.00 -0.09 0.05 0.00 0.13 0.00 0.00 57.88 57.97 1dgn h LEU 25 Cb 1.05 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 1dgn h LEU 25 CO 0.04 0.34 0.16 0.17 -0.13 0.00 0.00 178.44 179.01 1dgn h LEU 26 N -1.04 0.05 -0.54 2.25 8.10 -1.51 -1.01 115.31 121.62 1dgn h LEU 26 Ca -0.02 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 1dgn h LEU 26 Cb 0.25 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.44 1dgn h LEU 26 CO 0.03 0.03 0.08 -0.78 -4.11 0.00 0.00 178.44 173.70 1dgn h ASP 27 N 0.06 0.86 -0.05 0.17 3.58 -1.60 -2.78 116.42 116.65 1dgn h ASP 27 Ca 0.10 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.19 1dgn h ASP 27 Cb 0.34 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1dgn h ASP 27 CO -0.01 0.90 -0.26 0.00 -2.88 0.00 0.00 179.24 177.00 1dgn h LEU 29 N 0.43 -0.38 -0.79 0.00 3.38 -1.13 -2.01 115.31 114.80 1dgn h LEU 29 Ca 0.06 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1dgn h LEU 29 Cb 0.68 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1dgn h LEU 29 CO 0.05 -0.18 0.43 -0.07 0.09 0.00 0.00 178.44 178.77 1dgn h LEU 30 N -0.20 0.60 -0.81 1.67 3.38 -1.45 -0.65 115.31 117.85 1dgn h LEU 30 Ca 0.06 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.28 1dgn h LEU 30 Cb 0.28 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 1dgn h LEU 30 CO -0.16 0.33 0.19 -0.08 0.09 0.00 0.00 178.44 178.81 1dgn h GLU 31 N 0.72 0.22 0.00 1.13 4.81 -1.28 1.08 114.58 121.26 1dgn h GLU 31 Ca 0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1dgn h GLU 31 Cb 0.40 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1dgn h GLU 31 CO -0.27 0.14 0.00 -0.44 -0.73 0.00 0.00 179.01 177.72 1dgn h ASP 32 N 0.22 0.00 -2.89 1.04 3.32 -0.99 -3.47 116.42 113.66 1dgn h ASP 32 Ca 0.48 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.23 1dgn h ASP 32 Cb 0.91 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.48 1dgn h ASP 32 CO -0.60 0.00 -0.43 -0.62 -1.72 0.00 0.00 179.24 175.87 1dgn n GLU 33 N -2.75 -2.57 0.06 3.56 1.02 0.37 -4.92 120.64 115.40 1dgn n GLU 33 Ca 0.04 0.71 -0.18 0.00 -0.02 0.00 0.00 57.16 57.72 1dgn n GLU 33 Cb 0.46 -5.08 -0.08 0.00 -0.02 0.00 0.00 31.44 26.72 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 -0.58 1.33 -3.51 2.62 3.04 -1.79 -3.45 116.25 113.92 1dgn h VAL 34 Ca -0.38 -2.36 -0.50 0.00 -1.01 0.00 0.00 66.70 62.45 1dgn h VAL 34 Cb 1.27 2.44 0.01 0.00 -2.01 0.00 0.00 31.29 33.00 1dgn h VAL 34 CO 0.43 0.72 0.05 0.27 -1.01 0.00 0.00 177.57 178.02 1dgn s ILE 35 N -3.25 4.89 0.08 3.17 -4.36 -1.26 -4.99 121.20 115.48 1dgn s ILE 35 Ca -0.08 0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.59 1dgn s ILE 35 Cb 0.08 -3.79 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1dgn s ILE 35 CO 0.90 -0.60 0.26 -0.44 0.24 0.00 0.00 174.94 175.29 1dgn s SER 36 N -3.55 6.40 0.53 4.36 0.01 -1.26 -4.90 113.70 115.29 1dgn s SER 36 Ca 0.48 0.37 0.43 0.00 1.31 0.00 0.00 55.95 58.54 1dgn s SER 36 Cb -0.10 -2.00 1.63 0.00 0.21 0.00 0.00 66.02 65.76 1dgn s SER 36 CO 0.36 0.15 1.65 -0.61 0.41 0.00 0.00 173.24 175.20 1dgn h GLN 37 N 3.10 0.02 -0.37 12.44 -0.00 -1.98 1.48 115.11 129.79 1dgn h GLN 37 Ca -0.46 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.03 1dgn h GLN 37 Cb 1.16 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.64 1dgn h GLN 37 CO 0.74 0.01 -0.41 0.93 0.00 0.00 0.00 178.83 180.10 1dgn h GLU 38 N 0.02 0.93 -0.10 1.69 4.39 -2.00 -2.69 114.58 116.83 1dgn h GLU 38 Ca 0.82 -0.51 -0.09 0.00 0.34 0.00 0.00 59.36 59.92 1dgn h GLU 38 Cb 3.15 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.83 1dgn h GLU 38 CO -0.08 1.16 -0.30 -0.44 -1.16 0.00 0.00 179.01 178.19 1dgn h ASP 39 N 0.75 0.43 -0.80 1.42 5.19 0.16 -2.93 116.42 120.64 1dgn h ASP 39 Ca 0.05 -0.60 0.22 0.00 -0.62 0.00 0.00 57.03 56.08 1dgn h ASP 39 Cb 1.01 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.36 1dgn h ASP 39 CO 0.10 0.96 0.57 -0.03 -3.12 0.00 0.00 179.24 177.72 1dgn h MET 40 N -0.07 0.10 -0.22 3.56 1.85 -1.04 0.26 114.93 119.37 1dgn h MET 40 Ca -0.01 -0.01 -0.19 0.00 -0.61 0.00 0.00 59.70 58.89 1dgn h MET 40 Cb 0.92 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.93 1dgn h MET 40 CO 0.06 0.07 -0.61 -0.91 -0.40 0.00 0.00 176.91 175.12 1dgn h ASN 41 N 0.11 0.83 -0.37 1.39 -0.26 -1.32 -2.32 115.58 113.64 1dgn h ASN 41 Ca 0.39 -0.47 0.07 0.00 -0.56 0.00 0.00 56.30 55.73 1dgn h ASN 41 Cb 1.39 -0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 38.34 1dgn h ASN 41 CO -0.05 1.24 -0.08 0.50 -1.06 0.00 0.00 177.43 177.99 1dgn h LYS 42 N 0.55 0.02 -0.13 0.81 1.63 -0.31 0.06 116.57 119.19 1dgn h LYS 42 Ca -0.00 -0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.59 1dgn h LYS 42 Cb 1.20 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1dgn h LYS 42 CO 0.12 0.01 -0.74 0.28 -3.45 0.00 0.00 179.45 175.68 1dgn h VAL 43 N 0.02 1.32 0.00 2.00 2.07 -1.56 -3.14 116.25 116.95 1dgn h VAL 43 Ca 0.18 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 1dgn h VAL 43 Cb 0.27 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1dgn h VAL 43 CO -0.36 0.63 -0.13 -0.09 0.02 0.00 0.00 177.57 177.63 1dgn h ARG 44 N 0.44 0.00 0.00 1.57 9.65 -0.94 -1.36 114.38 123.74 1dgn h ARG 44 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1dgn h ARG 44 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1dgn h ARG 44 CO 0.14 0.13 0.00 -0.25 2.80 0.00 0.00 179.97 182.80 1dgn n ASP 45 N -4.05 0.00 -2.48 -3.80 8.00 -0.04 -4.90 116.55 109.28 1dgn n ASP 45 Ca -0.02 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1dgn n ASP 45 Cb 0.22 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1dgn n ASP 45 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1dgn n GLU 46 N -1.25 -0.87 0.00 -1.24 0.28 -0.51 -4.93 120.64 112.11 1dgn n GLU 46 Ca 0.01 0.91 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 1dgn n GLU 46 Cb 0.02 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.22 1dgn n GLU 46 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1dgn n ASN 47 N 2.05 0.00 0.00 -1.84 3.02 -1.26 -5.06 115.26 112.17 1dgn n ASN 47 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1dgn n ASN 47 Cb 0.08 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1dgn n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1dgn n ASP 48 N -1.82 3.89 -4.11 6.41 5.68 -1.26 -5.06 116.55 120.28 1dgn n ASP 48 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 1dgn n ASP 48 Cb 0.00 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1dgn n THR 49 N 0.00 0.00 -0.13 2.12 -2.24 -1.26 -4.38 114.28 108.40 1dgn n THR 49 Ca 0.00 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1dgn n THR 49 Cb 0.00 -0.22 0.47 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.35 0.89 -0.97 2.28 2.07 -1.98 -1.32 116.25 115.87 1dgn h VAL 50 Ca -0.44 -0.17 0.22 0.00 0.82 0.00 0.00 66.70 67.13 1dgn h VAL 50 Cb 1.37 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 31.38 1dgn h VAL 50 CO 0.27 0.09 0.54 0.24 0.02 0.00 0.00 177.57 178.73 1dgn h MET 51 N 0.48 0.56 0.00 1.57 2.86 -1.86 0.32 114.93 118.87 1dgn h MET 51 Ca 0.31 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1dgn h MET 51 Cb 0.58 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1dgn h MET 51 CO -0.10 0.37 -0.02 0.22 1.06 0.00 0.00 176.91 178.44 1dgn h ASP 52 N 0.58 0.01 -0.68 1.22 1.82 -1.52 -2.33 116.42 115.53 1dgn h ASP 52 Ca 0.60 -0.99 0.15 0.00 -0.39 0.00 0.00 57.03 56.41 1dgn h ASP 52 Cb 1.08 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.04 1dgn h ASP 52 CO -0.46 1.00 0.47 0.11 -1.61 0.00 0.00 179.24 178.75 1dgn h LYS 53 N -0.97 0.24 0.20 0.28 1.57 -1.05 -1.10 116.57 115.75 1dgn h LYS 53 Ca -0.00 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1dgn h LYS 53 Cb 1.01 -0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.29 1dgn h LYS 53 CO 0.00 0.16 -1.18 0.00 -0.57 0.00 0.00 179.45 177.87 1dgn h ALA 54 N 1.67 -0.13 -0.79 3.86 0.00 -0.47 -2.28 119.26 121.12 1dgn h ALA 54 Ca 0.33 -0.79 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1dgn h ALA 54 Cb 0.94 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1dgn h ALA 54 CO -0.07 0.55 0.47 -0.09 0.00 0.00 0.00 179.25 180.10 1dgn h ARG 55 N -0.09 0.81 0.03 0.00 9.65 -0.66 -0.02 114.38 124.11 1dgn h ARG 55 Ca -0.21 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.49 1dgn h ARG 55 Cb 1.93 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 30.34 1dgn h ARG 55 CO 0.22 0.54 -0.56 -0.39 2.80 0.00 0.00 179.97 182.58 1dgn h VAL 56 N 0.84 1.49 -0.18 0.20 -1.51 -1.38 -2.64 116.25 113.06 1dgn h VAL 56 Ca 0.36 -2.18 0.05 0.00 -1.23 0.00 0.00 66.70 63.70 1dgn h VAL 56 Cb 0.23 2.81 -0.05 0.00 -2.13 0.00 0.00 31.29 32.15 1dgn h VAL 56 CO -0.20 0.62 -0.11 0.25 -1.23 0.00 0.00 177.57 176.90 1dgn h LEU 57 N -0.28 -0.37 -1.33 4.19 5.85 -1.15 0.16 115.31 122.37 1dgn h LEU 57 Ca -0.08 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1dgn h LEU 57 Cb 1.32 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1dgn h LEU 57 CO 0.11 -0.15 -0.31 -0.29 -0.34 0.00 0.00 178.44 177.45 1dgn h ILE 58 N -0.11 1.00 -0.09 4.05 2.10 -1.12 -2.96 117.51 120.39 1dgn h ILE 58 Ca 0.11 -1.16 -0.06 0.00 1.08 0.00 0.00 64.86 64.82 1dgn h ILE 58 Cb 0.27 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 1dgn h ILE 58 CO -0.25 0.31 -0.19 -0.78 -1.08 0.00 0.00 178.15 176.15 1dgn h ASP 59 N 0.00 0.33 -0.20 2.19 3.58 -0.87 -3.12 116.42 118.33 1dgn h ASP 59 Ca -0.00 -0.57 0.04 0.00 0.42 0.00 0.00 57.03 56.92 1dgn h ASP 59 Cb 0.64 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 1dgn h ASP 59 CO 0.04 0.84 -0.07 -0.07 -2.88 0.00 0.00 179.24 177.10 1dgn h LEU 60 N -0.17 -0.24 -0.24 2.28 3.38 -0.64 -2.34 115.31 117.35 1dgn h LEU 60 Ca 0.00 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1dgn h LEU 60 Cb 0.79 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1dgn h LEU 60 CO 0.04 -0.09 -0.45 0.58 0.09 0.00 0.00 178.44 178.61 1dgn h VAL 61 N -0.03 0.10 -0.88 1.22 2.07 -1.58 -0.60 116.25 116.56 1dgn h VAL 61 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 1dgn h VAL 61 Cb 0.18 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 1dgn h VAL 61 CO -0.22 0.00 0.44 0.74 0.02 0.00 0.00 177.57 178.55 1dgn h THR 62 N -0.45 0.64 -0.91 2.57 2.02 -1.43 -0.08 112.91 115.27 1dgn h THR 62 Ca 0.09 -0.19 0.14 0.00 0.77 0.00 0.00 66.41 67.21 1dgn h THR 62 Cb 0.62 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.97 1dgn h THR 62 CO -0.47 0.10 0.53 1.23 0.37 0.00 0.00 175.52 177.28 1dgn h GLY 63 N 0.56 1.50 -1.73 2.16 0.00 -0.57 0.74 103.07 105.74 1dgn h GLY 63 Ca 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1dgn h GLY 63 CO -0.42 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.44 1dgn n LYS 64 N -4.76 0.77 -0.29 4.80 4.76 -0.04 -4.93 118.16 118.46 1dgn n LYS 64 Ca 0.18 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.66 1dgn n LYS 64 Cb 0.41 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.39 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 0.48 -2.30 0.12 0.72 0.00 0.25 -4.26 105.19 100.21 1dgn n GLY 65 Ca 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.74 0.21 0.31 1.61 -0.04 -1.26 -2.90 135.00 130.19 1dgn n PRO 66 Ca -0.01 0.35 0.18 0.00 -0.04 0.00 0.00 63.50 63.98 1dgn n PRO 66 Cb 0.14 -1.84 1.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.08 0.54 3.64 -1.94 -0.40 116.57 118.48 1dgn h LYS 67 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1dgn h LYS 67 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1dgn h LYS 67 CO 0.00 0.00 -1.12 1.03 -2.27 0.00 0.00 179.45 177.09 1dgn h SER 68 N 0.00 0.34 -1.42 4.20 0.87 -1.71 -3.29 113.55 112.55 1dgn h SER 68 Ca 0.01 -0.34 0.44 0.00 -1.23 0.00 0.00 61.79 60.66 1dgn h SER 68 Cb 0.04 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 61.79 1dgn h SER 68 CO -0.00 1.23 0.96 0.00 -0.53 0.00 0.00 176.83 178.49 1dgn h LYS 71 N -0.92 0.00 0.46 0.00 6.56 -1.18 -1.10 116.57 120.39 1dgn h LYS 71 Ca -0.05 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 1dgn h LYS 71 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1dgn h LYS 71 CO -0.08 0.11 -0.22 0.35 -2.06 0.00 0.00 179.45 177.54 1dgn h PHE 72 N 0.00 -0.58 -0.33 -1.35 3.57 -0.69 -1.18 116.94 116.39 1dgn h PHE 72 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1dgn h PHE 72 Cb 0.28 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1dgn h PHE 72 CO 0.00 -0.31 0.19 0.82 -2.23 0.00 0.00 178.31 176.79 1dgn h ILE 73 N -1.11 1.12 0.29 1.41 2.04 -0.74 -0.41 117.51 120.11 1dgn h ILE 73 Ca -0.06 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1dgn h ILE 73 Cb 0.53 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1dgn h ILE 73 CO 0.10 0.12 -0.14 0.11 0.00 0.00 0.00 178.15 178.34 1dgn h LYS 74 N 0.42 -0.38 0.97 2.37 1.57 -1.30 -2.78 116.57 117.43 1dgn h LYS 74 Ca 0.12 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1dgn h LYS 74 Cb 0.02 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1dgn h LYS 74 CO -0.02 -0.25 -0.46 0.45 -0.57 0.00 0.00 179.45 178.59 1dgn h HIS 75 N -0.40 -1.20 -1.81 -1.35 3.86 -1.15 -2.59 115.15 110.50 1dgn h HIS 75 Ca -0.04 -0.03 0.54 0.00 -1.16 0.00 0.00 60.37 59.68 1dgn h HIS 75 Cb 0.31 0.40 -0.09 0.00 1.06 0.00 0.00 27.41 29.09 1dgn h HIS 75 CO -0.06 -0.75 1.29 1.25 0.86 0.00 0.00 177.93 180.52 1dgn h LEU 76 N -1.34 0.04 -0.23 2.43 5.85 -1.10 1.19 115.31 122.14 1dgn h LEU 76 Ca -0.13 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.40 1dgn h LEU 76 Cb 1.00 0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.06 1dgn h LEU 76 CO 0.22 -0.04 -0.77 0.00 -0.34 0.00 0.00 178.44 177.50 1dgn n GLU 78 N -3.90 0.05 -0.03 0.00 -0.00 0.41 -3.83 120.64 113.34 1dgn n GLU 78 Ca -0.07 0.22 -0.06 0.00 -0.00 0.00 0.00 57.16 57.26 1dgn n GLU 78 Cb 0.74 -1.58 -0.03 0.00 -0.00 0.00 0.00 31.44 30.57 1dgn n GLU 78 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1dgn n GLU 79 N -1.68 0.15 -3.86 3.44 0.28 -1.04 -4.93 120.64 113.00 1dgn n GLU 79 Ca 0.04 0.05 -0.33 0.00 -0.16 0.00 0.00 57.16 56.76 1dgn n GLU 79 Cb 0.24 -0.95 -0.12 0.00 1.43 0.00 0.00 31.44 32.04 1dgn n GLU 79 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1dgn s ASP 80 N -5.09 4.79 0.05 -1.84 -1.08 0.13 -4.94 116.67 108.69 1dgn s ASP 80 Ca -0.09 -2.74 0.27 0.00 -0.52 0.00 0.00 52.55 49.46 1dgn s ASP 80 Cb 0.03 -1.73 0.84 0.00 -1.46 0.00 0.00 42.92 40.60 1dgn s ASP 80 CO 0.14 -0.33 1.68 -0.81 0.52 0.00 0.00 175.17 176.37 1dgn n PRO 81 N 3.54 0.09 -0.01 4.34 -0.04 -1.25 -2.45 135.00 139.22 1dgn n PRO 81 Ca 0.05 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1dgn n PRO 81 Cb 0.36 -1.58 -0.01 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 -0.09 -0.45 0.54 -0.00 -1.92 -3.08 115.11 110.11 1dgn h GLN 82 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 1dgn h GLN 82 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.06 1dgn h GLN 82 CO 0.00 -0.05 -0.17 1.25 0.00 0.00 0.00 178.83 179.86 1dgn h LEU 83 N -1.02 0.93 -2.09 -2.39 5.85 -1.96 -2.58 115.31 112.05 1dgn h LEU 83 Ca -0.01 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1dgn h LEU 83 Cb 0.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1dgn h LEU 83 CO 0.02 1.11 0.00 0.00 -0.34 0.00 0.00 178.44 179.23 1dgn h ALA 84 N 0.86 1.00 -0.59 1.25 0.00 -1.65 -1.92 119.26 118.21 1dgn h ALA 84 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1dgn h ALA 84 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1dgn h ALA 84 CO 0.06 0.00 0.41 0.66 0.00 0.00 0.00 179.25 180.38 1dgn h SER 85 N 0.00 0.09 0.23 0.00 4.64 -1.36 2.22 113.55 119.36 1dgn h SER 85 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.98 1dgn h SER 85 Cb 0.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1dgn h SER 85 CO 0.00 0.05 -1.82 0.11 -0.87 0.00 0.00 176.83 174.29 1dgn h LYS 86 N 0.09 0.28 -0.56 4.77 1.57 -1.54 -3.33 116.57 117.85 1dgn h LYS 86 Ca 0.28 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1dgn h LYS 86 Cb 0.99 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1dgn h LYS 86 CO -0.03 1.17 0.00 -1.33 -0.57 0.00 0.00 179.45 178.69 1dgn n MET 87 N -3.47 2.58 -1.27 3.15 2.81 -0.37 -4.34 117.12 116.20 1dgn n MET 87 Ca -0.26 -1.81 -0.32 0.00 -1.81 0.00 0.00 57.70 53.50 1dgn n MET 87 Cb 1.06 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 32.05 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 0.97 5.51 0.38 3.03 0.00 0.74 -4.77 105.19 111.05 1dgn n GLY 88 Ca 0.17 -2.08 0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.64 0.03 0.00 0.99 7.99 -1.26 -5.00 117.00 119.11 1dgn n LEU 89 Ca 0.56 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 57.21 1dgn n LEU 89 Cb 0.63 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1dgn n LEU 89 CO 0.70 -0.67 0.00 1.57 -1.51 0.00 0.00 177.39 177.48