#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 -1.40 -0.38 0.00 -4.77 -1.26 -5.02 116.67 103.85 1dgn s ASP 3 Ca 0.00 -1.47 0.12 0.00 -3.30 0.00 0.00 52.55 47.90 1dgn s ASP 3 Cb 0.00 1.83 0.40 0.00 -1.09 0.00 0.00 42.92 44.06 1dgn s ASP 3 CO 0.00 -0.07 1.13 0.00 0.70 0.00 0.00 175.17 176.93 1dgn n GLN 4 N 3.23 1.14 0.16 2.11 6.02 -1.26 -4.96 117.38 123.82 1dgn n GLN 4 Ca 0.16 -2.47 -0.16 0.00 -0.01 0.00 0.00 57.00 54.52 1dgn n GLN 4 Cb 0.57 -0.72 -0.09 0.00 1.02 0.00 0.00 30.24 31.01 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1dgn h LEU 5 N 2.55 -1.46 -0.12 1.08 6.46 -2.00 -2.66 115.31 119.16 1dgn h LEU 5 Ca -0.16 0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1dgn h LEU 5 Cb 1.21 0.52 -0.05 0.00 -0.73 0.00 0.00 40.66 41.61 1dgn h LEU 5 CO 0.20 -0.57 -0.44 -0.07 -0.62 0.00 0.00 178.44 176.94 1dgn h LEU 6 N -0.80 -1.42 -0.97 2.25 -0.00 -1.95 0.19 115.31 112.62 1dgn h LEU 6 Ca -0.02 0.17 0.19 0.00 -0.00 0.00 0.00 57.88 58.21 1dgn h LEU 6 Cb 0.76 0.55 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 1dgn h LEU 6 CO -0.21 -0.39 -0.27 0.54 -0.00 0.00 0.00 178.44 178.11 1dgn n ARG 7 N -4.89 -0.11 -0.04 1.13 1.74 -1.17 0.26 116.66 113.57 1dgn n ARG 7 Ca -0.05 1.51 -0.13 0.00 -0.77 0.00 0.00 57.85 58.41 1dgn n ARG 7 Cb 0.31 -2.26 -0.08 0.00 -1.02 0.00 0.00 32.46 29.40 1dgn n ARG 7 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1dgn h LYS 8 N 0.00 0.20 -0.43 5.56 3.64 -1.03 -2.99 116.57 121.52 1dgn h LYS 8 Ca 0.44 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1dgn h LYS 8 Cb 0.68 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1dgn h LYS 8 CO -0.99 0.65 0.00 1.63 -2.27 0.00 0.00 179.45 178.46 1dgn n LYS 9 N -4.67 1.40 -0.01 1.90 4.76 0.62 -4.00 118.16 118.15 1dgn n LYS 9 Ca -0.07 -0.45 0.03 0.00 -2.87 0.00 0.00 58.31 54.95 1dgn n LYS 9 Cb 0.32 -1.30 0.38 0.00 -1.84 0.00 0.00 35.03 32.60 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 0.66 0.56 0.00 1.97 2.43 0.37 -1.52 114.38 118.84 1dgn h ARG 10 Ca 0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1dgn h ARG 10 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1dgn h ARG 10 CO 0.03 0.43 -0.49 0.07 -1.51 0.00 0.00 179.97 178.50 1dgn h ARG 11 N 0.57 0.00 0.00 0.20 0.11 -1.81 -2.98 114.38 110.47 1dgn h ARG 11 Ca 0.15 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.23 1dgn h ARG 11 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1dgn h ARG 11 CO -0.02 0.49 -0.00 0.82 0.10 0.00 0.00 179.97 181.35 1dgn h ILE 12 N 0.00 0.00 -0.66 0.08 2.04 -1.59 -2.97 117.51 114.41 1dgn h ILE 12 Ca -0.00 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1dgn h ILE 12 Cb 1.11 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.07 1dgn h ILE 12 CO 0.06 0.00 -0.23 0.15 0.00 0.00 0.00 178.15 178.13 1dgn h PHE 13 N -0.04 -0.56 -0.23 1.37 3.04 -1.52 -0.89 116.94 118.12 1dgn h PHE 13 Ca -0.00 0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.06 1dgn h PHE 13 Cb 0.00 0.35 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 1dgn h PHE 13 CO 0.03 -0.33 -0.06 0.97 -2.02 0.00 0.00 178.31 176.90 1dgn h ILE 14 N -0.06 0.77 -1.16 1.41 2.10 -1.70 0.33 117.51 119.20 1dgn h ILE 14 Ca 0.30 0.00 -0.58 0.00 1.08 0.00 0.00 64.86 65.67 1dgn h ILE 14 Cb 0.53 0.77 -0.17 0.00 -1.09 0.00 0.00 36.82 36.85 1dgn h ILE 14 CO -0.71 0.00 0.91 1.41 -1.08 0.00 0.00 178.15 178.68 1dgn n HIS 15 N -5.22 1.92 0.07 2.19 8.25 -0.37 -4.18 115.22 117.89 1dgn n HIS 15 Ca -0.02 -2.18 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 1dgn n HIS 15 Cb 0.14 -1.47 0.00 0.00 1.12 0.00 0.00 29.99 29.78 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 0.98 -1.25 -4.11 0.41 7.64 -1.03 -4.88 113.62 111.39 1dgn n SER 16 Ca 0.52 0.32 -0.36 0.00 1.01 0.00 0.00 58.87 60.36 1dgn n SER 16 Cb 0.46 1.42 0.08 0.00 -1.01 0.00 0.00 64.21 65.15 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 -2.75 0.00 -3.83 0.44 3.14 0.08 -5.02 118.33 110.39 1dgn n VAL 17 Ca 0.00 -0.20 -0.12 0.00 -2.96 0.00 0.00 64.34 61.06 1dgn n VAL 17 Cb 0.00 -0.21 -0.10 0.00 -1.06 0.00 0.00 33.84 32.47 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 -1.30 -0.06 0.27 7.55 0.00 -1.26 -5.03 107.32 107.48 1dgn s GLY 18 Ca 0.44 0.18 0.16 0.00 0.00 0.00 0.00 44.72 45.49 1dgn s GLY 18 CO 0.70 0.04 1.10 0.00 0.00 0.00 0.00 173.10 174.94 1dgn n ALA 19 N 1.82 0.75 0.35 3.20 0.00 -1.26 0.25 120.51 125.62 1dgn n ALA 19 Ca -0.20 0.70 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1dgn n ALA 19 Cb 0.56 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 1dgn n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dgn h GLY 20 N 0.00 -0.88 1.37 0.00 0.00 -2.01 -2.68 103.07 98.87 1dgn h GLY 20 Ca 0.60 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 48.18 1dgn h GLY 20 CO -0.51 -0.32 0.00 -0.84 0.00 0.00 0.00 176.54 174.87 1dgn h THR 21 N -0.84 1.24 0.17 4.70 2.02 -0.54 -3.07 112.91 116.58 1dgn h THR 21 Ca -0.09 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.12 1dgn h THR 21 Cb 0.65 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1dgn h THR 21 CO 0.14 0.35 -0.50 0.40 0.37 0.00 0.00 175.52 176.28 1dgn h ILE 22 N 0.72 0.04 -1.00 3.11 2.04 -1.08 0.73 117.51 122.08 1dgn h ILE 22 Ca 0.14 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 1dgn h ILE 22 Cb 0.44 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.48 1dgn h ILE 22 CO 0.02 0.00 0.63 -1.13 0.00 0.00 0.00 178.15 177.66 1dgn h ASN 23 N -0.76 0.92 1.07 1.72 -1.24 -1.48 -0.08 115.58 115.74 1dgn h ASN 23 Ca -0.00 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 56.95 1dgn h ASN 23 Cb 0.76 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 1dgn h ASN 23 CO -0.25 0.49 -0.48 0.00 -1.29 0.00 0.00 177.43 175.90 1dgn h ALA 24 N 1.54 0.83 0.19 1.57 0.00 -1.29 -2.78 119.26 119.31 1dgn h ALA 24 Ca 0.50 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dgn h ALA 24 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dgn h ALA 24 CO -0.27 0.60 -0.09 1.25 0.00 0.00 0.00 179.25 180.74 1dgn h LEU 25 N 0.00 -0.21 -2.28 0.00 7.12 0.21 -3.00 115.31 117.15 1dgn h LEU 25 Ca -0.00 -0.09 0.02 0.00 0.13 0.00 0.00 57.88 57.93 1dgn h LEU 25 Cb 1.14 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1dgn h LEU 25 CO 0.06 0.29 0.06 0.17 -0.13 0.00 0.00 178.44 178.90 1dgn h LEU 26 N -1.04 0.00 -0.32 2.25 8.10 -1.21 -1.19 115.31 121.90 1dgn h LEU 26 Ca -0.03 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 1dgn h LEU 26 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.50 1dgn h LEU 26 CO 0.04 0.00 0.04 -0.78 -4.11 0.00 0.00 178.44 173.64 1dgn h ASP 27 N 0.00 0.52 -0.58 0.17 3.58 -1.56 -2.94 116.42 115.62 1dgn h ASP 27 Ca 0.03 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 1dgn h ASP 27 Cb 0.15 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1dgn h ASP 27 CO -0.00 0.66 0.19 0.00 -2.88 0.00 0.00 179.24 177.21 1dgn h LEU 29 N 0.81 -0.14 -0.70 0.00 3.38 -1.31 0.69 115.31 118.03 1dgn h LEU 29 Ca 0.19 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.36 1dgn h LEU 29 Cb 0.27 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1dgn h LEU 29 CO -0.01 -0.07 0.40 -0.07 0.09 0.00 0.00 178.44 178.79 1dgn h LEU 30 N 0.18 0.61 -0.83 1.67 3.38 -1.34 -1.38 115.31 117.61 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 0.55 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 1dgn h LEU 30 CO -0.49 0.39 0.11 -0.08 0.09 0.00 0.00 178.44 178.46 1dgn h GLU 31 N 0.74 0.14 0.00 1.13 4.81 -0.76 1.23 114.58 121.88 1dgn h GLU 31 Ca 0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1dgn h GLU 31 Cb 0.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1dgn h GLU 31 CO -0.18 0.10 0.00 -0.44 -0.73 0.00 0.00 179.01 177.76 1dgn h ASP 32 N 0.15 0.00 -3.07 1.04 3.32 -1.19 -3.47 116.42 113.20 1dgn h ASP 32 Ca 0.49 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.25 1dgn h ASP 32 Cb 0.93 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.51 1dgn h ASP 32 CO -0.68 0.00 -0.42 -0.62 -1.72 0.00 0.00 179.24 175.80 1dgn n GLU 33 N -2.79 -3.04 0.04 3.56 1.02 0.42 -4.93 120.64 114.93 1dgn n GLU 33 Ca 0.04 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.64 1dgn n GLU 33 Cb 0.46 -4.97 -0.11 0.00 -0.02 0.00 0.00 31.44 26.80 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 -0.80 1.28 -3.43 2.62 3.04 -1.78 -3.45 116.25 113.73 1dgn h VAL 34 Ca -0.37 -2.24 -0.50 0.00 -1.01 0.00 0.00 66.70 62.58 1dgn h VAL 34 Cb 1.26 2.40 0.01 0.00 -2.01 0.00 0.00 31.29 32.94 1dgn h VAL 34 CO 0.41 0.69 -0.00 0.27 -1.01 0.00 0.00 177.57 177.93 1dgn s ILE 35 N -3.31 4.92 0.12 3.17 -4.36 -1.26 -5.00 121.20 115.48 1dgn s ILE 35 Ca -0.10 0.26 -0.02 0.00 -0.26 0.00 0.00 60.65 60.54 1dgn s ILE 35 Cb 0.07 -3.77 -0.05 0.00 1.25 0.00 0.00 42.46 39.97 1dgn s ILE 35 CO 0.92 -0.51 0.31 -0.44 0.24 0.00 0.00 174.94 175.46 1dgn s SER 36 N -3.39 6.41 0.51 4.36 0.01 -1.26 -4.89 113.70 115.46 1dgn s SER 36 Ca 0.47 0.40 0.38 0.00 1.31 0.00 0.00 55.95 58.51 1dgn s SER 36 Cb -0.10 -2.01 1.54 0.00 0.21 0.00 0.00 66.02 65.66 1dgn s SER 36 CO 0.34 0.08 1.70 -0.61 0.41 0.00 0.00 173.24 175.16 1dgn h GLN 37 N 2.75 0.05 -0.46 12.44 -0.00 -1.98 1.32 115.11 129.23 1dgn h GLN 37 Ca -0.46 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.04 1dgn h GLN 37 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.63 1dgn h GLN 37 CO 0.73 0.04 -0.27 0.93 0.00 0.00 0.00 178.83 180.26 1dgn h GLU 38 N 0.06 0.99 0.04 1.69 5.08 -2.00 -2.68 114.58 117.75 1dgn h GLU 38 Ca 0.73 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1dgn h GLU 38 Cb 2.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.95 1dgn h GLU 38 CO -0.11 1.12 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.56 1dgn h ASP 39 N 0.84 -0.04 -1.19 1.42 3.32 0.12 -2.87 116.42 118.02 1dgn h ASP 39 Ca 0.10 -0.53 0.34 0.00 0.02 0.00 0.00 57.03 56.96 1dgn h ASP 39 Cb 0.85 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.35 1dgn h ASP 39 CO 0.08 0.52 0.83 -0.03 -1.72 0.00 0.00 179.24 178.92 1dgn h MET 40 N -0.63 0.12 -0.16 3.56 1.85 -0.96 0.74 114.93 119.44 1dgn h MET 40 Ca -0.00 -0.01 -0.20 0.00 -0.61 0.00 0.00 59.70 58.88 1dgn h MET 40 Cb 0.57 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.57 1dgn h MET 40 CO 0.01 0.08 -0.70 -0.91 -0.40 0.00 0.00 176.91 174.98 1dgn h ASN 41 N 0.12 0.81 -0.45 1.39 -0.26 -1.36 -2.35 115.58 113.48 1dgn h ASN 41 Ca 0.61 -0.50 0.09 0.00 -0.56 0.00 0.00 56.30 55.94 1dgn h ASN 41 Cb 2.15 -0.24 -0.09 0.00 -1.06 0.00 0.00 38.32 39.08 1dgn h ASN 41 CO -0.12 1.28 -0.18 0.50 -1.06 0.00 0.00 177.43 177.84 1dgn h LYS 42 N 0.49 -0.09 -0.03 0.81 1.63 0.72 0.61 116.57 120.72 1dgn h LYS 42 Ca -0.03 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1dgn h LYS 42 Cb 1.31 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1dgn h LYS 42 CO 0.14 -0.06 -0.03 0.28 -3.45 0.00 0.00 179.45 176.33 1dgn h VAL 43 N -0.09 1.38 -0.02 2.00 2.07 -1.57 -2.93 116.25 117.09 1dgn h VAL 43 Ca 0.22 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1dgn h VAL 43 Cb 0.42 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1dgn h VAL 43 CO -0.51 0.32 0.14 -0.09 0.02 0.00 0.00 177.57 177.44 1dgn h ARG 44 N -0.40 0.00 0.00 1.57 1.12 -0.86 -0.63 114.38 115.18 1dgn h ARG 44 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1dgn h ARG 44 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1dgn h ARG 44 CO 0.01 0.00 0.12 0.22 -3.11 0.00 0.00 179.97 177.20 1dgn h ASP 45 N 0.00 0.00 -6.07 -3.80 3.58 0.40 -3.46 116.42 107.07 1dgn h ASP 45 Ca 0.01 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 1dgn h ASP 45 Cb 0.28 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.34 1dgn h ASP 45 CO -0.00 0.00 -0.83 -0.62 -2.88 0.00 0.00 179.24 174.91 1dgn n GLU 46 N -2.90 -1.92 0.24 0.28 1.02 -0.24 -4.93 120.64 112.19 1dgn n GLU 46 Ca -0.02 1.52 -0.10 0.00 -0.02 0.00 0.00 57.16 58.54 1dgn n GLU 46 Cb 0.17 -3.64 -0.05 0.00 -0.02 0.00 0.00 31.44 27.91 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1dgn h ASN 47 N 1.43 -0.53 0.00 1.62 2.35 -1.86 -3.50 115.58 115.09 1dgn h ASN 47 Ca -0.34 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1dgn h ASN 47 Cb 1.24 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1dgn h ASN 47 CO 0.25 -0.32 0.00 0.47 -1.65 0.00 0.00 177.43 176.18 1dgn n ASP 48 N -4.04 4.34 -4.56 5.81 9.92 -1.26 -5.05 116.55 121.70 1dgn n ASP 48 Ca -0.08 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.87 1dgn n ASP 48 Cb 0.25 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.89 1dgn n ASP 48 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1dgn n THR 49 N 0.00 0.00 -0.23 -3.53 -1.04 -1.26 -4.44 114.28 103.78 1dgn n THR 49 Ca 0.00 -0.10 0.31 0.00 -2.04 0.00 0.00 64.05 62.22 1dgn n THR 49 Cb 0.00 -0.86 0.58 0.00 -1.82 0.00 0.00 70.33 68.23 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dgn h VAL 50 N -1.84 0.11 -0.81 12.58 2.07 -1.98 0.50 116.25 126.88 1dgn h VAL 50 Ca -0.44 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1dgn h VAL 50 Cb 1.28 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1dgn h VAL 50 CO 0.39 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.72 1dgn h MET 51 N 0.00 0.89 0.18 1.57 2.07 -1.87 0.45 114.93 118.23 1dgn h MET 51 Ca 0.50 -0.05 -0.34 0.00 -2.07 0.00 0.00 59.70 57.74 1dgn h MET 51 Cb 2.63 -0.20 0.01 0.00 -1.87 0.00 0.00 31.60 32.17 1dgn h MET 51 CO -0.01 0.59 -1.64 0.22 1.07 0.00 0.00 176.91 177.14 1dgn h ASP 52 N 0.92 0.61 0.58 1.22 1.82 -0.28 -2.88 116.42 118.40 1dgn h ASP 52 Ca 0.35 -0.83 -0.09 0.00 -0.39 0.00 0.00 57.03 56.07 1dgn h ASP 52 Cb 0.15 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1dgn h ASP 52 CO -0.16 1.69 -0.43 0.11 -1.61 0.00 0.00 179.24 178.83 1dgn h LYS 53 N 0.11 0.00 0.00 0.28 1.57 -1.31 -3.03 116.57 114.19 1dgn h LYS 53 Ca -0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1dgn h LYS 53 Cb 2.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.40 1dgn h LYS 53 CO 0.19 0.43 -0.00 0.00 -0.57 0.00 0.00 179.45 179.50 1dgn h ALA 54 N 1.57 0.00 -0.91 3.86 0.00 -0.21 -2.86 119.26 120.70 1dgn h ALA 54 Ca -0.00 -0.45 0.23 0.00 0.00 0.00 0.00 54.91 54.69 1dgn h ALA 54 Cb 0.84 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1dgn h ALA 54 CO 0.06 0.00 0.41 -0.09 0.00 0.00 0.00 179.25 179.62 1dgn h ARG 55 N -1.00 0.37 0.06 0.00 9.65 -1.54 -0.94 114.38 120.97 1dgn h ARG 55 Ca -0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1dgn h ARG 55 Cb 0.89 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1dgn h ARG 55 CO -0.00 0.25 -0.03 -0.39 2.80 0.00 0.00 179.97 182.60 1dgn h VAL 56 N 0.38 1.27 -0.44 0.20 -1.51 -1.65 -2.51 116.25 111.99 1dgn h VAL 56 Ca 0.58 -1.32 0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1dgn h VAL 56 Cb 1.14 2.11 -0.10 0.00 -2.13 0.00 0.00 31.29 32.31 1dgn h VAL 56 CO -0.55 0.32 -0.34 0.25 -1.23 0.00 0.00 177.57 176.03 1dgn h LEU 57 N -0.69 -1.13 -1.84 4.19 5.85 -1.06 0.36 115.31 120.98 1dgn h LEU 57 Ca -0.01 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1dgn h LEU 57 Cb 0.58 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1dgn h LEU 57 CO 0.01 -0.32 -0.13 -0.29 -0.34 0.00 0.00 178.44 177.37 1dgn h ILE 58 N -0.24 0.57 0.00 4.05 2.10 -1.31 -2.80 117.51 119.89 1dgn h ILE 58 Ca 0.18 -0.58 -0.22 0.00 1.08 0.00 0.00 64.86 65.32 1dgn h ILE 58 Cb 0.54 1.38 0.02 0.00 -1.09 0.00 0.00 36.82 37.67 1dgn h ILE 58 CO -0.57 0.13 -0.86 -0.78 -1.08 0.00 0.00 178.15 174.99 1dgn h ASP 59 N 0.00 0.75 -0.89 2.19 1.82 -0.01 -3.03 116.42 117.24 1dgn h ASP 59 Ca -0.00 -0.75 -0.00 0.00 -0.39 0.00 0.00 57.03 55.89 1dgn h ASP 59 Cb 0.37 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 1dgn h ASP 59 CO 0.02 1.40 0.55 -0.07 -1.61 0.00 0.00 179.24 179.53 1dgn h LEU 60 N 0.17 1.06 0.07 2.28 3.38 -0.29 -2.10 115.31 119.88 1dgn h LEU 60 Ca -0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1dgn h LEU 60 Cb 1.54 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1dgn h LEU 60 CO 0.17 0.81 -0.03 0.58 0.09 0.00 0.00 178.44 180.05 1dgn h VAL 61 N 1.23 0.00 0.00 1.22 2.07 -1.58 -2.69 116.25 116.50 1dgn h VAL 61 Ca 0.32 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1dgn h VAL 61 Cb -0.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1dgn h VAL 61 CO -0.06 0.00 0.47 0.74 0.02 0.00 0.00 177.57 178.73 1dgn h THR 62 N -0.10 0.00 0.11 2.57 2.02 -1.57 0.41 112.91 116.35 1dgn h THR 62 Ca -0.01 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.90 1dgn h THR 62 Cb 0.07 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1dgn h THR 62 CO 0.02 0.00 -1.19 1.23 0.37 0.00 0.00 175.52 175.95 1dgn h GLY 63 N 0.00 0.45 -1.96 2.16 0.00 -1.08 -3.26 103.07 99.38 1dgn h GLY 63 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1dgn h GLY 63 CO 0.00 0.88 0.00 0.28 0.00 0.00 0.00 176.54 177.70 1dgn n LYS 64 N -3.65 0.88 -0.21 4.80 4.76 0.14 -4.91 118.16 119.97 1dgn n LYS 64 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1dgn n LYS 64 Cb 0.98 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 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 0.54 -3.38 0.22 0.72 0.00 -1.23 -4.31 105.19 97.75 1dgn n GLY 65 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 45.03 1dgn n GLY 65 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dgn h PRO 66 N 0.30 0.00 -0.36 1.61 0.11 -1.86 0.12 132.00 131.92 1dgn h PRO 66 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.21 1dgn h PRO 66 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1dgn h PRO 66 CO 0.00 0.00 0.35 -0.22 -0.21 0.00 0.00 178.00 177.92 1dgn h LYS 67 N 0.00 0.00 0.00 1.05 3.64 -1.94 0.61 116.57 119.94 1dgn h LYS 67 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dgn h LYS 67 Cb 1.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1dgn h LYS 67 CO 0.00 0.00 -0.27 1.03 -2.27 0.00 0.00 179.45 177.94 1dgn h SER 68 N 0.00 0.00 -0.96 4.20 0.87 -0.94 -3.31 113.55 113.41 1dgn h SER 68 Ca 0.17 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1dgn h SER 68 Cb 0.87 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 1dgn h SER 68 CO -0.00 0.01 0.63 0.00 -0.53 0.00 0.00 176.83 176.94 1dgn h LYS 71 N -0.80 0.00 0.37 0.00 1.57 -1.75 -2.63 116.57 113.33 1dgn h LYS 71 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1dgn h LYS 71 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1dgn h LYS 71 CO -0.09 0.03 -0.18 0.35 -0.57 0.00 0.00 179.45 179.00 1dgn h PHE 72 N 0.00 -0.46 -1.01 -1.35 3.04 -0.66 0.51 116.94 117.00 1dgn h PHE 72 Ca -0.00 -0.01 0.25 0.00 3.98 0.00 0.00 57.97 62.19 1dgn h PHE 72 Cb 0.07 0.15 -0.09 0.00 2.56 0.00 0.00 35.95 38.65 1dgn h PHE 72 CO 0.00 -0.29 0.66 0.82 -2.02 0.00 0.00 178.31 177.48 1dgn h ILE 73 N -0.73 0.56 0.03 1.41 2.04 -0.93 0.17 117.51 120.06 1dgn h ILE 73 Ca -0.05 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1dgn h ILE 73 Cb 0.38 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1dgn h ILE 73 CO 0.08 0.07 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 1dgn h LYS 74 N 0.40 -0.04 -0.69 2.37 1.57 -1.48 -2.66 116.57 116.04 1dgn h LYS 74 Ca 0.57 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.36 1dgn h LYS 74 Cb 1.43 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 1dgn h LYS 74 CO -0.26 0.59 0.46 0.45 -0.57 0.00 0.00 179.45 180.11 1dgn h HIS 75 N -0.73 0.87 -0.17 -1.35 3.86 0.10 -1.99 115.15 115.75 1dgn h HIS 75 Ca -0.00 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1dgn h HIS 75 Cb 0.65 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1dgn h HIS 75 CO 0.15 0.54 -0.40 1.25 0.86 0.00 0.00 177.93 180.33 1dgn h LEU 76 N 0.93 0.39 -0.09 2.43 5.85 -0.77 -2.59 115.31 121.47 1dgn h LEU 76 Ca 0.26 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1dgn h LEU 76 Cb -0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1dgn h LEU 76 CO -0.06 0.76 0.03 0.00 -0.34 0.00 0.00 178.44 178.83 1dgn h GLU 78 N 0.07 0.00 0.03 0.00 4.11 -1.54 -3.16 114.58 114.10 1dgn h GLU 78 Ca 0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.19 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 -0.04 0.12 -1.50 0.93 0.07 0.00 0.00 179.01 178.60 1dgn h GLU 79 N 0.00 0.07 -2.09 1.06 4.39 -1.05 -3.44 114.58 113.52 1dgn h GLU 79 Ca -0.00 -0.12 -0.32 0.00 0.34 0.00 0.00 59.36 59.25 1dgn h GLU 79 Cb 0.84 0.05 -0.33 0.00 -0.10 0.00 0.00 28.75 29.21 1dgn h GLU 79 CO 0.02 0.81 -0.64 0.34 -1.16 0.00 0.00 179.01 178.38 1dgn s ASP 80 N -6.51 1.52 0.15 1.42 -1.08 0.14 -4.87 116.67 107.44 1dgn s ASP 80 Ca -0.05 -0.83 0.26 0.00 -0.52 0.00 0.00 52.55 51.41 1dgn s ASP 80 Cb 0.08 0.56 0.74 0.00 -1.46 0.00 0.00 42.92 42.84 1dgn s ASP 80 CO 0.83 -0.37 1.67 -0.81 0.52 0.00 0.00 175.17 177.01 1dgn n PRO 81 N 5.19 0.23 0.15 4.34 -0.04 -1.20 -2.33 135.00 141.33 1dgn n PRO 81 Ca -0.00 0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1dgn n PRO 81 Cb 0.46 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.41 -0.03 0.54 5.75 -1.94 -2.98 115.11 116.03 1dgn h GLN 82 Ca 0.00 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1dgn h GLN 82 Cb 0.70 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.34 1dgn h GLN 82 CO 0.00 -0.28 -0.00 1.25 -2.65 0.00 0.00 178.83 177.15 1dgn h LEU 83 N -0.90 0.05 -0.62 -2.39 5.85 -1.97 -2.39 115.31 112.94 1dgn h LEU 83 Ca -0.04 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1dgn h LEU 83 Cb 0.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1dgn h LEU 83 CO 0.07 0.37 0.32 0.00 -0.34 0.00 0.00 178.44 178.86 1dgn n ALA 84 N -2.27 0.56 -0.20 1.25 0.00 -0.98 -0.60 120.51 118.25 1dgn n ALA 84 Ca -0.07 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1dgn n ALA 84 Cb 0.19 -0.68 0.44 0.00 0.00 0.00 0.00 19.45 19.40 1dgn n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dgn h SER 85 N 0.00 0.52 0.40 0.00 0.87 -1.26 2.21 113.55 116.29 1dgn h SER 85 Ca 0.00 0.03 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 1dgn h SER 85 Cb 0.64 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1dgn h SER 85 CO 0.00 0.28 -1.64 0.11 -0.53 0.00 0.00 176.83 175.05 1dgn h LYS 86 N 0.56 0.22 -0.49 2.24 1.57 -1.07 -3.30 116.57 116.30 1dgn h LYS 86 Ca 0.39 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dgn h LYS 86 Cb 0.73 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1dgn h LYS 86 CO -0.15 1.05 0.00 -1.33 -0.57 0.00 0.00 179.45 178.45 1dgn n MET 87 N -3.40 2.21 -1.32 3.15 2.81 -0.39 -4.29 117.12 115.89 1dgn n MET 87 Ca -0.19 -1.51 -0.32 0.00 -1.81 0.00 0.00 57.70 53.87 1dgn n MET 87 Cb 1.05 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 32.16 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 0.95 5.47 0.36 3.03 0.00 0.73 -4.77 105.19 110.96 1dgn n GLY 88 Ca 0.14 -2.09 0.28 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.59 0.05 0.00 0.99 7.99 -1.26 -5.01 117.00 119.17 1dgn n LEU 89 Ca 0.56 0.68 0.08 0.00 -0.01 0.00 0.00 56.01 57.31 1dgn n LEU 89 Cb 0.60 -0.34 0.47 0.00 -0.11 0.00 0.00 43.42 44.04 1dgn n LEU 89 CO 0.68 -0.71 0.68 1.57 -1.51 0.00 0.00 177.39 178.10