#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 -1.41 -0.37 0.00 -4.77 -1.26 -5.03 116.67 103.83 1dgn s ASP 3 Ca 0.00 -1.63 0.12 0.00 -3.30 0.00 0.00 52.55 47.74 1dgn s ASP 3 Cb 0.00 1.84 0.38 0.00 -1.09 0.00 0.00 42.92 44.05 1dgn s ASP 3 CO 0.00 -0.05 0.92 0.00 0.70 0.00 0.00 175.17 176.73 1dgn n GLN 4 N 3.01 1.05 0.10 2.11 1.13 -1.26 -4.98 117.38 118.54 1dgn n GLN 4 Ca 0.17 -2.95 -0.12 0.00 -1.94 0.00 0.00 57.00 52.16 1dgn n GLN 4 Cb 0.56 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 29.55 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 2.90 -0.42 0.29 1.08 6.46 -2.00 -2.85 115.31 120.78 1dgn h LEU 5 Ca -0.02 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1dgn h LEU 5 Cb 1.08 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1dgn h LEU 5 CO 0.38 -0.23 -0.39 -0.07 -0.62 0.00 0.00 178.44 177.52 1dgn h LEU 6 N -0.31 -1.09 -0.93 2.25 -0.00 -1.93 0.17 115.31 113.45 1dgn h LEU 6 Ca 0.02 0.10 0.14 0.00 -0.00 0.00 0.00 57.88 58.13 1dgn h LEU 6 Cb 0.32 0.38 -0.15 0.00 -0.00 0.00 0.00 40.66 41.21 1dgn h LEU 6 CO -0.07 -0.48 -0.38 -1.14 -0.00 0.00 0.00 178.44 176.37 1dgn n ARG 7 N -4.71 -0.24 -0.02 1.13 0.63 -1.21 0.26 116.66 112.50 1dgn n ARG 7 Ca -0.08 1.43 -0.12 0.00 -0.92 0.00 0.00 57.85 58.16 1dgn n ARG 7 Cb 0.34 -2.13 -0.08 0.00 0.45 0.00 0.00 32.46 31.04 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 0.12 -0.83 -0.14 1.79 -1.32 -2.80 116.57 113.39 1dgn h LYS 8 Ca 0.31 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1dgn h LYS 8 Cb 0.54 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1dgn h LYS 8 CO -0.92 0.39 0.00 1.63 -1.08 0.00 0.00 179.45 179.47 1dgn n LYS 9 N -4.86 2.00 -0.10 3.15 4.76 0.58 -4.07 118.16 119.62 1dgn n LYS 9 Ca -0.07 -0.83 -0.09 0.00 -2.87 0.00 0.00 58.31 54.45 1dgn n LYS 9 Cb 0.19 -1.66 0.07 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.08 0.82 0.00 1.97 2.43 0.38 -1.81 114.38 119.25 1dgn h ARG 10 Ca 0.00 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1dgn h ARG 10 Cb 0.85 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1dgn h ARG 10 CO 0.12 0.97 -0.44 0.00 -1.51 0.00 0.00 179.97 179.11 1dgn h ARG 11 N 0.71 0.00 0.01 0.20 3.08 -1.80 -2.99 114.38 113.60 1dgn h ARG 11 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1dgn h ARG 11 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1dgn h ARG 11 CO 0.06 0.44 -0.01 0.82 -1.07 0.00 0.00 179.97 180.21 1dgn h ILE 12 N 0.00 0.00 -0.61 2.04 2.04 -1.77 -2.99 117.51 116.22 1dgn h ILE 12 Ca -0.00 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1dgn h ILE 12 Cb 1.05 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.01 1dgn h ILE 12 CO 0.06 0.00 -0.29 0.15 0.00 0.00 0.00 178.15 178.06 1dgn h PHE 13 N -0.12 -0.78 -0.27 1.37 3.57 -1.48 -1.17 116.94 118.06 1dgn h PHE 13 Ca -0.00 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1dgn h PHE 13 Cb 0.01 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1dgn h PHE 13 CO 0.03 -0.36 -0.11 0.97 -2.23 0.00 0.00 178.31 176.60 1dgn h ILE 14 N -0.13 0.63 -0.95 1.41 2.10 -1.70 -0.95 117.51 117.92 1dgn h ILE 14 Ca 0.25 0.00 -0.63 0.00 1.08 0.00 0.00 64.86 65.57 1dgn h ILE 14 Cb 0.54 0.63 -0.12 0.00 -1.09 0.00 0.00 36.82 36.78 1dgn h ILE 14 CO -0.68 0.00 1.78 1.41 -1.08 0.00 0.00 178.15 179.58 1dgn n HIS 15 N -5.28 2.12 0.08 2.19 8.25 -0.45 -4.16 115.22 117.96 1dgn n HIS 15 Ca -0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 1dgn n HIS 15 Cb 0.20 -1.75 0.00 0.00 1.12 0.00 0.00 29.99 29.56 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 1.69 -1.40 -4.61 0.41 7.64 -1.04 -4.88 113.62 111.43 1dgn n SER 16 Ca 0.59 0.47 -0.62 0.00 1.01 0.00 0.00 58.87 60.31 1dgn n SER 16 Cb 0.38 1.54 -0.09 0.00 -1.01 0.00 0.00 64.21 65.03 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 -2.89 0.01 -2.95 0.44 3.14 -0.39 -4.89 118.33 110.80 1dgn n VAL 17 Ca 0.00 -0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1dgn n VAL 17 Cb 0.00 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 32.46 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 1.34 2.83 0.35 7.55 0.00 -1.26 -4.94 107.32 113.19 1dgn s GLY 18 Ca 0.97 0.37 0.20 0.00 0.00 0.00 0.00 44.72 46.26 1dgn s GLY 18 CO 0.67 0.83 1.46 0.00 0.00 0.00 0.00 173.10 176.06 1dgn n ALA 19 N 1.13 0.97 0.22 3.20 0.00 -1.26 -1.24 120.51 123.54 1dgn n ALA 19 Ca -0.03 0.93 -0.09 0.00 0.00 0.00 0.00 53.44 54.25 1dgn n ALA 19 Cb 0.49 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.61 -1.01 0.00 0.00 -2.01 -3.18 103.07 96.25 1dgn h GLY 20 Ca 0.79 0.23 0.42 0.00 0.00 0.00 0.00 47.33 48.76 1dgn h GLY 20 CO -0.69 -0.22 0.82 -0.84 0.00 0.00 0.00 176.54 175.61 1dgn h THR 21 N -0.78 0.16 -0.15 4.70 2.02 -1.55 0.10 112.91 117.41 1dgn h THR 21 Ca -0.06 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1dgn h THR 21 Cb 0.45 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 1dgn h THR 21 CO 0.10 0.02 -0.17 0.40 0.37 0.00 0.00 175.52 176.24 1dgn h ILE 22 N 0.11 0.55 -0.99 3.11 2.04 -1.41 0.62 117.51 121.55 1dgn h ILE 22 Ca 0.80 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.67 1dgn h ILE 22 Cb 2.46 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 1dgn h ILE 22 CO -0.42 0.00 0.64 -1.13 0.00 0.00 0.00 178.15 177.24 1dgn h ASN 23 N -0.20 1.14 0.83 1.72 -1.24 -0.85 -1.06 115.58 115.92 1dgn h ASN 23 Ca 0.10 -0.04 -0.13 0.00 0.71 0.00 0.00 56.30 56.94 1dgn h ASN 23 Cb 0.35 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1dgn h ASN 23 CO -0.27 0.83 -0.63 0.00 -1.29 0.00 0.00 177.43 176.08 1dgn h ALA 24 N 1.36 0.83 0.31 1.57 0.00 -1.25 -2.85 119.26 119.23 1dgn h ALA 24 Ca 0.36 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1dgn h ALA 24 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1dgn h ALA 24 CO -0.08 0.78 -0.15 1.25 0.00 0.00 0.00 179.25 181.06 1dgn h LEU 25 N 0.00 -0.35 -2.03 0.00 7.12 0.86 -3.08 115.31 117.83 1dgn h LEU 25 Ca -0.01 -0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.00 1dgn h LEU 25 Cb 1.21 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1dgn h LEU 25 CO 0.08 0.12 0.21 0.17 -0.13 0.00 0.00 178.44 178.89 1dgn h LEU 26 N -1.06 0.00 0.07 2.25 8.10 -1.33 -1.55 115.31 121.79 1dgn h LEU 26 Ca -0.04 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.96 1dgn h LEU 26 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 1dgn h LEU 26 CO 0.07 0.00 -0.10 -0.78 -4.11 0.00 0.00 178.44 173.52 1dgn h ASP 27 N 0.00 -0.28 -0.99 0.17 3.58 -1.53 -1.82 116.42 115.56 1dgn h ASP 27 Ca 0.13 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1dgn h ASP 27 Cb 0.54 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 1dgn h ASP 27 CO -0.00 -0.16 0.65 0.00 -2.88 0.00 0.00 179.24 176.85 1dgn h LEU 29 N 1.28 0.36 -1.19 0.00 3.38 -1.06 -0.39 115.31 117.70 1dgn h LEU 29 Ca 0.38 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.53 1dgn h LEU 29 Cb -0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1dgn h LEU 29 CO -0.11 0.23 0.59 -0.07 0.09 0.00 0.00 178.44 179.17 1dgn h LEU 30 N 0.51 0.77 -1.43 1.67 3.38 -0.71 0.13 115.31 119.63 1dgn h LEU 30 Ca 0.27 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.33 1dgn h LEU 30 Cb 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1dgn h LEU 30 CO -0.22 0.41 0.44 -0.08 0.09 0.00 0.00 178.44 179.08 1dgn h GLU 31 N 0.83 0.70 0.00 1.13 4.22 -0.94 0.17 114.58 120.68 1dgn h GLU 31 Ca 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1dgn h GLU 31 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1dgn h GLU 31 CO -0.21 0.46 0.00 -0.44 -2.18 0.00 0.00 179.01 176.64 1dgn h ASP 32 N 0.72 0.00 -1.64 1.04 3.32 -0.55 -3.46 116.42 115.85 1dgn h ASP 32 Ca 0.28 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.04 1dgn h ASP 32 Cb 0.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1dgn h ASP 32 CO -0.08 0.00 -0.34 -0.62 -1.72 0.00 0.00 179.24 176.48 1dgn n GLU 33 N -2.78 -1.09 -0.03 3.56 -0.58 0.58 -4.92 120.64 115.38 1dgn n GLU 33 Ca 0.01 0.78 -0.15 0.00 -0.42 0.00 0.00 57.16 57.38 1dgn n GLU 33 Cb 0.29 -5.02 -0.11 0.00 -0.57 0.00 0.00 31.44 26.03 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1dgn h VAL 34 N 0.00 1.55 -3.29 2.62 3.04 -1.79 -3.46 116.25 114.92 1dgn h VAL 34 Ca -0.32 -1.89 -0.51 0.00 -1.01 0.00 0.00 66.70 62.96 1dgn h VAL 34 Cb 1.16 2.74 -0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1dgn h VAL 34 CO 0.41 0.51 -0.08 0.27 -1.01 0.00 0.00 177.57 177.67 1dgn s ILE 35 N -3.18 4.98 0.33 3.17 -4.36 -1.26 -5.01 121.20 115.86 1dgn s ILE 35 Ca -0.16 0.14 0.07 0.00 -0.26 0.00 0.00 60.65 60.44 1dgn s ILE 35 Cb 0.01 -3.75 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 1dgn s ILE 35 CO 0.73 -0.40 0.34 -0.94 0.24 0.00 0.00 174.94 174.91 1dgn s SER 36 N -3.27 5.53 0.57 4.36 1.04 -1.26 -4.91 113.70 115.77 1dgn s SER 36 Ca 0.45 -0.37 0.33 0.00 0.48 0.00 0.00 55.95 56.84 1dgn s SER 36 Cb -0.11 -1.10 1.45 0.00 0.10 0.00 0.00 66.02 66.37 1dgn s SER 36 CO 0.31 -0.35 1.77 -0.61 0.98 0.00 0.00 173.24 175.34 1dgn h GLN 37 N 1.15 0.00 0.36 4.02 -0.00 -1.99 0.83 115.11 119.48 1dgn h GLN 37 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 1dgn h GLN 37 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.74 1dgn h GLN 37 CO 0.57 0.00 -0.17 0.93 0.00 0.00 0.00 178.83 180.16 1dgn h GLU 38 N 0.00 -0.47 -0.74 1.69 5.08 -2.00 -2.91 114.58 115.24 1dgn h GLU 38 Ca 0.44 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.96 1dgn h GLU 38 Cb 2.00 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 31.27 1dgn h GLU 38 CO -0.00 -0.31 0.32 -0.44 -1.00 0.00 0.00 179.01 177.58 1dgn h ASP 39 N -0.77 0.35 -1.03 1.42 5.19 -1.59 0.26 116.42 120.25 1dgn h ASP 39 Ca -0.05 0.09 0.26 0.00 -0.62 0.00 0.00 57.03 56.71 1dgn h ASP 39 Cb 0.37 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 39.83 1dgn h ASP 39 CO 0.08 0.16 0.66 -0.03 -3.12 0.00 0.00 179.24 177.00 1dgn h MET 40 N 0.50 0.40 -0.39 3.56 1.85 -0.95 0.60 114.93 120.50 1dgn h MET 40 Ca 0.39 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 59.36 1dgn h MET 40 Cb 0.54 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 1dgn h MET 40 CO -0.35 0.26 -0.16 -0.91 -0.40 0.00 0.00 176.91 175.35 1dgn h ASN 41 N 0.41 0.72 -0.62 1.39 -0.26 -0.28 -1.59 115.58 115.35 1dgn h ASN 41 Ca 0.59 -0.23 0.11 0.00 -0.56 0.00 0.00 56.30 56.22 1dgn h ASN 41 Cb 1.47 -0.20 -0.09 0.00 -1.06 0.00 0.00 38.32 38.45 1dgn h ASN 41 CO -0.30 0.89 0.17 0.50 -1.06 0.00 0.00 177.43 177.62 1dgn h LYS 42 N 0.65 0.30 0.08 0.81 1.63 0.43 0.35 116.57 120.81 1dgn h LYS 42 Ca 0.10 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1dgn h LYS 42 Cb 0.63 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1dgn h LYS 42 CO 0.04 0.20 -0.04 0.28 -3.45 0.00 0.00 179.45 176.48 1dgn h VAL 43 N 0.30 1.10 0.00 2.00 2.07 -1.42 -3.15 116.25 117.16 1dgn h VAL 43 Ca 0.33 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1dgn h VAL 43 Cb 0.48 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1dgn h VAL 43 CO -0.39 0.32 0.08 -1.14 0.02 0.00 0.00 177.57 176.46 1dgn n ARG 44 N -4.81 0.04 0.21 1.57 3.00 -0.61 -1.63 116.66 114.43 1dgn n ARG 44 Ca -0.08 0.49 0.12 0.00 -0.00 0.00 0.00 57.85 58.38 1dgn n ARG 44 Cb 0.30 -1.71 0.64 0.00 0.00 0.00 0.00 32.46 31.69 1dgn n ARG 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1dgn h ASP 45 N 0.00 0.00 -6.59 6.15 3.58 -0.27 -3.46 116.42 115.84 1dgn h ASP 45 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1dgn h ASP 45 Cb 0.16 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1dgn h ASP 45 CO 0.00 0.00 -0.94 -0.62 -2.88 0.00 0.00 179.24 174.80 1dgn n GLU 46 N -2.39 -1.08 0.28 0.28 1.02 -0.65 -4.88 120.64 113.22 1dgn n GLU 46 Ca -0.02 0.57 -0.16 0.00 -0.02 0.00 0.00 57.16 57.53 1dgn n GLU 46 Cb 0.17 -2.99 -0.08 0.00 -0.02 0.00 0.00 31.44 28.52 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 -1.19 -0.82 0.00 1.62 2.35 -1.89 -3.48 115.58 112.18 1dgn h ASN 47 Ca -0.60 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1dgn h ASN 47 Cb 1.36 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1dgn h ASN 47 CO 0.43 -0.49 0.00 0.47 -1.65 0.00 0.00 177.43 176.18 1dgn n ASP 48 N -5.45 4.16 -3.00 5.81 8.00 -1.26 -5.08 116.55 119.73 1dgn n ASP 48 Ca -0.11 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.36 1dgn n ASP 48 Cb 0.35 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1dgn n ASP 48 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1dgn n THR 49 N 0.00 0.00 0.38 -3.53 5.66 -1.26 -4.56 114.28 110.98 1dgn n THR 49 Ca 0.00 -0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1dgn n THR 49 Cb 0.00 -0.13 -0.09 0.00 -1.55 0.00 0.00 70.33 68.56 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1dgn h VAL 50 N -2.12 0.26 -1.48 1.08 2.07 -1.98 -2.36 116.25 111.73 1dgn h VAL 50 Ca -0.03 -0.10 0.43 0.00 0.82 0.00 0.00 66.70 67.82 1dgn h VAL 50 Cb 0.11 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1dgn h VAL 50 CO 0.02 0.01 1.24 0.23 0.02 0.00 0.00 177.57 179.09 1dgn n MET 51 N -5.48 0.01 -0.09 1.57 2.81 -1.26 0.03 117.12 114.71 1dgn n MET 51 Ca -0.14 0.97 -0.15 0.00 -1.81 0.00 0.00 57.70 56.57 1dgn n MET 51 Cb 0.39 -2.31 -0.09 0.00 -0.71 0.00 0.00 33.22 30.50 1dgn n MET 51 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1dgn h ASP 52 N 0.00 0.00 0.01 7.83 1.82 -1.78 -2.93 116.42 121.37 1dgn h ASP 52 Ca 0.70 -0.49 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1dgn h ASP 52 Cb 3.17 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 43.18 1dgn h ASP 52 CO -0.01 1.17 -0.01 0.11 -1.61 0.00 0.00 179.24 178.89 1dgn h LYS 53 N -1.00 0.00 0.17 0.28 1.57 0.11 -2.44 116.57 115.26 1dgn h LYS 53 Ca -0.18 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.36 1dgn h LYS 53 Cb 0.99 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.32 1dgn h LYS 53 CO -0.11 0.01 -1.03 0.00 -0.57 0.00 0.00 179.45 177.75 1dgn h ALA 54 N 1.99 -0.10 -0.73 3.86 0.00 -0.78 -2.59 119.26 120.91 1dgn h ALA 54 Ca -0.00 -0.74 0.16 0.00 0.00 0.00 0.00 54.91 54.33 1dgn h ALA 54 Cb 0.02 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 1dgn h ALA 54 CO 0.00 0.49 0.16 -0.09 0.00 0.00 0.00 179.25 179.81 1dgn h ARG 55 N -0.16 0.25 0.04 0.00 9.65 -1.24 -1.01 114.38 121.90 1dgn h ARG 55 Ca -0.18 -0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.52 1dgn h ARG 55 Cb 1.80 -0.06 0.02 0.00 -1.39 0.00 0.00 29.97 30.34 1dgn h ARG 55 CO 0.19 0.16 -0.69 -0.39 2.80 0.00 0.00 179.97 182.05 1dgn h VAL 56 N 0.25 1.44 -0.18 0.20 -1.51 -1.62 -2.82 116.25 112.01 1dgn h VAL 56 Ca 0.41 -2.20 0.05 0.00 -1.23 0.00 0.00 66.70 63.73 1dgn h VAL 56 Cb 0.70 2.73 -0.07 0.00 -2.13 0.00 0.00 31.29 32.52 1dgn h VAL 56 CO -0.52 0.64 -0.39 0.25 -1.23 0.00 0.00 177.57 176.32 1dgn h LEU 57 N -0.13 -1.24 -1.12 4.19 5.85 -0.95 0.47 115.31 122.37 1dgn h LEU 57 Ca -0.10 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1dgn h LEU 57 Cb 1.43 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 1dgn h LEU 57 CO 0.13 -0.40 -0.18 -0.29 -0.34 0.00 0.00 178.44 177.37 1dgn h ILE 58 N -0.44 1.23 -0.16 4.05 2.10 -1.35 -2.61 117.51 120.34 1dgn h ILE 58 Ca 0.09 -1.07 -0.11 0.00 1.08 0.00 0.00 64.86 64.86 1dgn h ILE 58 Cb 0.60 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1dgn h ILE 58 CO -0.42 0.34 -0.37 -0.78 -1.08 0.00 0.00 178.15 175.84 1dgn h ASP 59 N 0.37 0.34 0.58 2.19 3.58 -0.98 -3.01 116.42 119.48 1dgn h ASP 59 Ca 0.06 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1dgn h ASP 59 Cb 0.53 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1dgn h ASP 59 CO 0.03 0.69 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.74 1dgn h LEU 60 N 0.28 -0.66 -0.75 2.28 3.38 0.25 -2.73 115.31 117.36 1dgn h LEU 60 Ca 0.03 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1dgn h LEU 60 Cb 0.78 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1dgn h LEU 60 CO 0.06 -0.27 -0.31 0.58 0.09 0.00 0.00 178.44 178.58 1dgn h VAL 61 N -1.11 0.13 -0.32 1.22 2.07 -1.52 1.04 116.25 117.76 1dgn h VAL 61 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1dgn h VAL 61 Cb 0.64 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1dgn h VAL 61 CO 0.13 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.69 1dgn h THR 62 N -0.08 0.85 0.22 2.57 2.02 -1.57 -2.00 112.91 114.92 1dgn h THR 62 Ca 0.30 -0.01 -0.32 0.00 0.77 0.00 0.00 66.41 67.15 1dgn h THR 62 Cb 0.57 0.82 0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1dgn h THR 62 CO -0.80 0.01 -1.46 1.23 0.37 0.00 0.00 175.52 174.87 1dgn h GLY 63 N 0.03 0.52 -1.81 2.16 0.00 0.12 -3.28 103.07 100.81 1dgn h GLY 63 Ca 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1dgn h GLY 63 CO -0.01 1.17 0.00 0.28 0.00 0.00 0.00 176.54 177.98 1dgn n LYS 64 N -3.65 0.78 0.00 4.80 4.76 0.96 -4.91 118.16 120.90 1dgn n LYS 64 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1dgn n LYS 64 Cb 1.08 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 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 0.52 -1.58 0.00 0.72 0.00 -1.21 -4.62 105.19 99.02 1dgn n GLY 65 Ca 0.00 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.90 0.93 -0.11 1.61 -0.04 -1.26 -3.66 135.00 131.57 1dgn n PRO 66 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1dgn n PRO 66 Cb 0.00 -1.27 0.24 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.78 0.00 0.54 3.64 -1.90 -1.91 116.57 117.72 1dgn h LYS 67 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1dgn h LYS 67 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1dgn h LYS 67 CO 0.00 0.67 -0.26 0.45 -2.27 0.00 0.00 179.45 178.04 1dgn n SER 68 N -4.32 0.36 0.08 4.20 2.88 -1.24 -4.06 113.62 111.53 1dgn n SER 68 Ca 0.04 0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1dgn n SER 68 Cb 0.18 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1dgn n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dgn h LYS 71 N -0.43 0.81 0.67 0.00 1.57 -1.71 -2.46 116.57 115.01 1dgn h LYS 71 Ca -0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1dgn h LYS 71 Cb 0.33 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1dgn h LYS 71 CO 0.07 0.54 -0.32 0.35 -0.57 0.00 0.00 179.45 179.52 1dgn h PHE 72 N 0.83 -0.83 -0.99 -1.35 3.57 0.15 -0.17 116.94 118.15 1dgn h PHE 72 Ca 0.22 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.90 1dgn h PHE 72 Cb -0.09 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 38.83 1dgn h PHE 72 CO 0.00 -0.49 0.61 0.82 -2.23 0.00 0.00 178.31 177.02 1dgn h ILE 73 N -0.97 0.69 0.70 1.41 2.04 -1.16 -0.48 117.51 119.74 1dgn h ILE 73 Ca -0.09 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1dgn h ILE 73 Cb 0.71 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1dgn h ILE 73 CO 0.15 0.13 -0.34 0.11 0.00 0.00 0.00 178.15 178.20 1dgn h LYS 74 N 0.69 -0.91 -0.97 2.37 1.57 -1.13 -2.65 116.57 115.53 1dgn h LYS 74 Ca 0.56 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.62 1dgn h LYS 74 Cb 0.97 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1dgn h LYS 74 CO -0.34 -0.59 0.62 0.45 -0.57 0.00 0.00 179.45 179.02 1dgn h HIS 75 N -1.21 0.73 -0.14 -1.35 3.86 -0.49 0.45 115.15 117.01 1dgn h HIS 75 Ca -0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1dgn h HIS 75 Cb 0.74 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1dgn h HIS 75 CO 0.00 0.15 -0.12 1.25 0.86 0.00 0.00 177.93 180.07 1dgn h LEU 76 N 0.51 0.20 -0.11 2.43 5.85 -1.02 -2.01 115.31 121.17 1dgn h LEU 76 Ca 0.54 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 1dgn h LEU 76 Cb 1.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1dgn h LEU 76 CO -0.27 0.35 0.04 0.00 -0.34 0.00 0.00 178.44 178.22 1dgn n GLU 78 N -4.91 0.21 -0.05 0.00 0.28 -1.13 -2.66 120.64 112.37 1dgn n GLU 78 Ca -0.06 0.23 -0.15 0.00 -0.16 0.00 0.00 57.16 57.03 1dgn n GLU 78 Cb 0.12 -1.77 -0.14 0.00 1.43 0.00 0.00 31.44 31.08 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 -2.14 0.69 -3.05 3.44 -0.58 -0.77 -4.80 120.64 113.43 1dgn n GLU 79 Ca 0.05 0.20 -0.16 0.00 -0.42 0.00 0.00 57.16 56.83 1dgn n GLU 79 Cb 0.37 -1.66 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 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 -3.17 -1.82 -0.05 1.62 -0.08 0.87 -4.97 116.55 108.95 1dgn n ASP 80 Ca -0.30 -2.73 0.24 0.00 -1.51 0.00 0.00 54.79 50.49 1dgn n ASP 80 Cb 1.06 0.59 0.72 0.00 2.34 0.00 0.00 41.12 45.83 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 5.00 0.00 0.00 -0.67 0.11 -1.68 -0.39 132.00 134.37 1dgn h PRO 81 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 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 0.00 0.94 -0.21 0.00 0.00 178.00 178.97 1dgn n GLN 82 N -4.02 0.00 -0.03 1.05 0.00 -1.26 -2.30 117.38 110.83 1dgn n GLN 82 Ca 0.13 0.40 0.16 0.00 -0.00 0.00 0.00 57.00 57.70 1dgn n GLN 82 Cb 0.81 -1.29 0.61 0.00 0.00 0.00 0.00 30.24 30.37 1dgn n GLN 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1dgn h LEU 83 N 0.00 0.15 -1.06 1.69 5.85 -1.90 0.24 115.31 120.29 1dgn h LEU 83 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1dgn h LEU 83 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1dgn h LEU 83 CO 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 1dgn h ALA 84 N 1.73 1.00 -0.92 1.25 0.00 -1.06 -2.74 119.26 118.52 1dgn h ALA 84 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1dgn h ALA 84 Cb 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1dgn h ALA 84 CO -0.04 0.00 0.61 0.66 0.00 0.00 0.00 179.25 180.48 1dgn h SER 85 N 0.00 1.05 1.04 0.00 4.64 -0.08 2.17 113.55 122.36 1dgn h SER 85 Ca 0.00 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1dgn h SER 85 Cb 0.23 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1dgn h SER 85 CO 0.00 0.75 -1.00 0.50 -0.87 0.00 0.00 176.83 176.21 1dgn h LYS 86 N 1.23 0.00 -0.30 4.77 3.64 -1.66 -3.33 116.57 120.92 1dgn h LYS 86 Ca 0.34 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1dgn h LYS 86 Cb -0.11 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 1dgn h LYS 86 CO -0.08 0.12 -0.02 -1.33 -2.27 0.00 0.00 179.45 175.87 1dgn n MET 87 N -2.82 2.32 -2.76 1.90 2.81 -0.81 -4.69 117.12 113.07 1dgn n MET 87 Ca -0.02 -2.98 -0.23 0.00 -1.81 0.00 0.00 57.70 52.66 1dgn n MET 87 Cb 0.65 -1.82 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.86 4.79 0.37 3.03 0.00 0.73 -4.89 105.19 108.36 1dgn n GLY 88 Ca 0.27 -2.37 0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.23 0.17 0.00 0.99 7.99 -1.26 -4.92 117.00 119.74 1dgn n LEU 89 Ca 0.29 1.09 0.05 0.00 -0.01 0.00 0.00 56.01 57.44 1dgn n LEU 89 Cb 0.60 -0.54 0.32 0.00 -0.11 0.00 0.00 43.42 43.70 1dgn n LEU 89 CO 0.31 -1.19 0.54 0.00 -1.51 0.00 0.00 177.39 175.54