#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 -1.36 -0.40 0.00 -4.77 -1.26 -5.04 116.67 103.83 1dgn s ASP 3 Ca 0.00 -1.29 0.09 0.00 -3.30 0.00 0.00 52.55 48.05 1dgn s ASP 3 Cb 0.00 1.77 0.32 0.00 -1.09 0.00 0.00 42.92 43.92 1dgn s ASP 3 CO 0.00 -0.08 0.80 0.00 0.70 0.00 0.00 175.17 176.59 1dgn n GLN 4 N 3.41 0.92 0.00 2.11 1.13 -1.26 -5.03 117.38 118.66 1dgn n GLN 4 Ca 0.15 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.34 1dgn n GLN 4 Cb 0.57 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.48 1dgn n GLN 4 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1dgn n LEU 5 N 0.60 0.64 -0.16 1.08 -0.00 -1.26 -2.70 117.00 115.19 1dgn n LEU 5 Ca 0.18 0.48 -0.14 0.00 -0.00 0.00 0.00 56.01 56.53 1dgn n LEU 5 Cb 0.65 -0.11 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1dgn n LEU 5 CO 0.15 -0.11 0.50 -0.07 -0.00 0.00 0.00 177.39 177.85 1dgn h LEU 6 N 0.00 -1.88 -0.84 -1.96 -0.00 -1.96 0.03 115.31 108.70 1dgn h LEU 6 Ca 0.00 0.25 0.12 0.00 -0.00 0.00 0.00 57.88 58.25 1dgn h LEU 6 Cb 0.00 0.78 -0.13 0.00 -0.00 0.00 0.00 40.66 41.31 1dgn h LEU 6 CO 0.00 -0.39 -0.37 -1.14 -0.00 0.00 0.00 178.44 176.54 1dgn n ARG 7 N -5.36 -0.24 -0.03 1.13 0.00 -1.26 0.26 116.66 111.17 1dgn n ARG 7 Ca -0.03 1.29 -0.13 0.00 -0.00 0.00 0.00 57.85 58.98 1dgn n ARG 7 Cb 0.34 -1.90 -0.08 0.00 0.00 0.00 0.00 32.46 30.81 1dgn n ARG 7 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1dgn h LYS 8 N 0.00 0.14 -0.90 -0.14 3.64 -1.15 -2.99 116.57 115.17 1dgn h LYS 8 Ca 0.25 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1dgn h LYS 8 Cb 0.46 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1dgn h LYS 8 CO -0.82 0.49 0.10 1.63 -2.27 0.00 0.00 179.45 178.58 1dgn n LYS 9 N -4.80 2.11 -0.03 1.90 4.76 0.26 -4.22 118.16 118.14 1dgn n LYS 9 Ca -0.07 -1.21 -0.11 0.00 -2.87 0.00 0.00 58.31 54.05 1dgn n LYS 9 Cb 0.24 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 31.67 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 1.09 -0.05 -1.39 1.97 2.43 0.37 -3.10 114.38 115.69 1dgn h ARG 10 Ca 0.10 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.68 1dgn h ARG 10 Cb 1.35 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.85 1dgn h ARG 10 CO 0.29 0.59 1.04 0.00 -1.51 0.00 0.00 179.97 180.38 1dgn h ARG 11 N -0.90 0.00 0.04 0.20 3.08 -1.78 -1.30 114.38 113.72 1dgn h ARG 11 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dgn h ARG 11 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1dgn h ARG 11 CO 0.01 0.00 -0.02 0.82 -1.07 0.00 0.00 179.97 179.71 1dgn h ILE 12 N 0.00 0.00 -0.70 2.04 2.04 -1.86 -2.94 117.51 116.09 1dgn h ILE 12 Ca 0.66 -0.48 0.12 0.00 1.00 0.00 0.00 64.86 66.17 1dgn h ILE 12 Cb 2.73 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.68 1dgn h ILE 12 CO -0.01 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 177.98 1dgn h PHE 13 N -0.52 -0.85 -0.17 1.37 3.57 -1.30 -0.48 116.94 118.56 1dgn h PHE 13 Ca -0.00 0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1dgn h PHE 13 Cb 0.04 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1dgn h PHE 13 CO 0.01 -0.38 -0.06 0.97 -2.23 0.00 0.00 178.31 176.63 1dgn h ILE 14 N -0.10 0.80 -0.89 1.41 2.10 -1.44 0.42 117.51 119.81 1dgn h ILE 14 Ca 0.28 0.00 -0.51 0.00 1.08 0.00 0.00 64.86 65.71 1dgn h ILE 14 Cb 0.56 0.80 -0.14 0.00 -1.09 0.00 0.00 36.82 36.95 1dgn h ILE 14 CO -0.76 0.00 0.79 1.41 -1.08 0.00 0.00 178.15 178.51 1dgn n HIS 15 N -5.20 1.58 0.09 2.19 8.25 -0.22 -4.22 115.22 117.69 1dgn n HIS 15 Ca -0.03 -2.08 0.00 0.00 -0.26 0.00 0.00 57.72 55.35 1dgn n HIS 15 Cb 0.12 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 29.69 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 1.38 -1.55 -3.85 0.41 7.64 -1.02 -4.87 113.62 111.75 1dgn n SER 16 Ca 0.52 0.52 -0.50 0.00 1.01 0.00 0.00 58.87 60.41 1dgn n SER 16 Cb 0.54 1.68 -0.07 0.00 -1.01 0.00 0.00 64.21 65.36 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 -2.96 0.13 -3.22 0.44 3.14 0.11 -4.91 118.33 111.07 1dgn n VAL 17 Ca 0.00 -0.03 -0.33 0.00 -2.96 0.00 0.00 64.34 61.02 1dgn n VAL 17 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 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 -0.07 2.33 0.55 7.55 0.00 -1.26 -4.95 107.32 111.47 1dgn s GLY 18 Ca 0.76 -0.05 0.32 0.00 0.00 0.00 0.00 44.72 45.76 1dgn s GLY 18 CO 0.49 0.15 1.86 0.00 0.00 0.00 0.00 173.10 175.60 1dgn h ALA 19 N 2.42 2.83 -0.02 3.20 0.00 -1.99 -0.90 119.26 124.81 1dgn h ALA 19 Ca -0.48 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1dgn h ALA 19 Cb 1.17 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dgn h ALA 19 CO 0.66 -1.15 -0.35 0.78 0.00 0.00 0.00 179.25 179.19 1dgn h GLY 20 N 0.00 0.31 1.10 0.00 0.00 -2.01 -3.28 103.07 99.19 1dgn h GLY 20 Ca 0.43 -0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1dgn h GLY 20 CO -0.00 0.44 0.45 -0.84 0.00 0.00 0.00 176.54 176.59 1dgn h THR 21 N -0.30 1.02 0.27 4.70 2.02 -1.53 -2.93 112.91 116.17 1dgn h THR 21 Ca -0.04 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1dgn h THR 21 Cb 1.06 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1dgn h THR 21 CO 0.07 0.13 -0.45 0.40 0.37 0.00 0.00 175.52 176.04 1dgn h ILE 22 N 0.71 0.00 -0.98 3.11 2.04 -1.53 0.69 117.51 121.55 1dgn h ILE 22 Ca 0.29 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.36 1dgn h ILE 22 Cb 0.25 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.21 1dgn h ILE 22 CO -0.09 0.00 0.57 -1.13 0.00 0.00 0.00 178.15 177.50 1dgn h ASN 23 N -0.76 0.70 0.95 1.72 -1.24 -1.62 0.26 115.58 115.59 1dgn h ASN 23 Ca -0.03 0.11 -0.12 0.00 0.71 0.00 0.00 56.30 56.97 1dgn h ASN 23 Cb 0.71 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 1dgn h ASN 23 CO -0.15 0.20 -0.58 0.00 -1.29 0.00 0.00 177.43 175.60 1dgn h ALA 24 N 1.67 0.80 0.13 1.57 0.00 -1.27 -2.83 119.26 119.32 1dgn h ALA 24 Ca 0.59 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dgn h ALA 24 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dgn h ALA 24 CO -0.42 0.73 -0.06 1.25 0.00 0.00 0.00 179.25 180.75 1dgn h LEU 25 N 0.00 -0.14 -2.25 0.00 7.12 0.36 -2.96 115.31 117.44 1dgn h LEU 25 Ca -0.01 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.81 1dgn h LEU 25 Cb 1.22 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1dgn h LEU 25 CO 0.08 0.42 0.05 0.17 -0.13 0.00 0.00 178.44 179.03 1dgn h LEU 26 N -1.00 0.00 -0.40 2.25 8.10 -0.99 -0.87 115.31 122.39 1dgn h LEU 26 Ca -0.02 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.88 1dgn h LEU 26 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1dgn h LEU 26 CO 0.03 0.00 -0.12 -0.78 -4.11 0.00 0.00 178.44 173.46 1dgn h ASP 27 N 0.00 0.80 -0.48 0.17 3.58 -1.57 -3.00 116.42 115.91 1dgn h ASP 27 Ca 0.03 -0.37 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1dgn h ASP 27 Cb 0.13 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1dgn h ASP 27 CO -0.00 0.99 0.09 0.00 -2.88 0.00 0.00 179.24 177.44 1dgn h LEU 29 N 0.67 0.23 -0.59 0.00 3.38 -1.33 0.20 115.31 117.87 1dgn h LEU 29 Ca 0.15 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1dgn h LEU 29 Cb 0.38 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1dgn h LEU 29 CO 0.01 0.07 0.34 -0.07 0.09 0.00 0.00 178.44 178.88 1dgn h LEU 30 N 0.41 0.53 -0.85 1.67 3.38 -1.38 -1.32 115.31 117.76 1dgn h LEU 30 Ca 0.42 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.62 1dgn h LEU 30 Cb 0.66 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.18 1dgn h LEU 30 CO -0.43 0.37 0.21 -0.08 0.09 0.00 0.00 178.44 178.60 1dgn h GLU 31 N 0.66 0.21 0.00 1.13 4.57 -0.85 1.27 114.58 121.58 1dgn h GLU 31 Ca 0.25 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1dgn h GLU 31 Cb 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1dgn h GLU 31 CO -0.13 0.14 0.00 -0.44 -1.18 0.00 0.00 179.01 177.40 1dgn h ASP 32 N 0.22 0.00 -3.33 1.04 3.32 -1.22 -3.47 116.42 112.98 1dgn h ASP 32 Ca 0.52 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.25 1dgn h ASP 32 Cb 1.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.59 1dgn h ASP 32 CO -0.63 0.00 -0.46 -0.62 -1.72 0.00 0.00 179.24 175.82 1dgn n GLU 33 N -2.71 -3.37 0.01 3.56 1.02 0.44 -4.92 120.64 114.67 1dgn n GLU 33 Ca 0.04 0.71 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 1dgn n GLU 33 Cb 0.45 -5.13 -0.10 0.00 -0.02 0.00 0.00 31.44 26.64 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 -0.90 1.33 -3.44 2.62 3.04 -1.77 -3.45 116.25 113.68 1dgn h VAL 34 Ca -0.40 -2.12 -0.50 0.00 -1.01 0.00 0.00 66.70 62.66 1dgn h VAL 34 Cb 1.28 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1dgn h VAL 34 CO 0.44 0.64 -0.00 0.27 -1.01 0.00 0.00 177.57 177.91 1dgn s ILE 35 N -3.37 4.91 0.15 3.17 -4.36 -1.26 -4.99 121.20 115.46 1dgn s ILE 35 Ca -0.11 0.28 -0.05 0.00 -0.26 0.00 0.00 60.65 60.51 1dgn s ILE 35 Cb 0.06 -3.76 -0.06 0.00 1.25 0.00 0.00 42.46 39.95 1dgn s ILE 35 CO 0.88 -0.49 0.39 -0.44 0.24 0.00 0.00 174.94 175.52 1dgn s SER 36 N -3.34 6.50 0.52 4.36 0.01 -1.26 -4.89 113.70 115.60 1dgn s SER 36 Ca 0.47 0.62 0.39 0.00 1.31 0.00 0.00 55.95 58.74 1dgn s SER 36 Cb -0.10 -2.10 1.55 0.00 0.21 0.00 0.00 66.02 65.58 1dgn s SER 36 CO 0.33 0.04 1.69 -0.61 0.41 0.00 0.00 173.24 175.10 1dgn h GLN 37 N 2.79 0.05 -0.42 12.44 5.75 -1.99 1.31 115.11 135.05 1dgn h GLN 37 Ca -0.46 -0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.89 1dgn h GLN 37 Cb 1.16 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1dgn h GLN 37 CO 0.72 0.03 -0.32 0.93 -2.65 0.00 0.00 178.83 177.54 1dgn h GLU 38 N 0.05 0.96 0.11 1.69 4.39 -2.00 -2.78 114.58 117.01 1dgn h GLU 38 Ca 0.74 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1dgn h GLU 38 Cb 2.77 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.42 1dgn h GLU 38 CO -0.11 1.13 -0.05 -0.44 -1.16 0.00 0.00 179.01 178.38 1dgn h ASP 39 N 0.80 -0.13 -1.18 1.42 5.19 0.13 -2.79 116.42 119.86 1dgn h ASP 39 Ca 0.08 -0.39 0.34 0.00 -0.62 0.00 0.00 57.03 56.44 1dgn h ASP 39 Cb 0.91 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.37 1dgn h ASP 39 CO 0.09 0.35 0.79 -0.03 -3.12 0.00 0.00 179.24 177.32 1dgn h MET 40 N -0.66 0.19 -0.22 3.56 1.85 -1.13 0.97 114.93 119.49 1dgn h MET 40 Ca -0.02 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.90 1dgn h MET 40 Cb 0.51 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 1dgn h MET 40 CO 0.03 0.12 -0.52 -0.91 -0.40 0.00 0.00 176.91 175.23 1dgn h ASN 41 N 0.19 0.69 -0.50 1.39 -0.26 -1.36 -2.04 115.58 113.69 1dgn h ASN 41 Ca 0.64 -0.36 0.10 0.00 -0.56 0.00 0.00 56.30 56.12 1dgn h ASN 41 Cb 2.04 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 39.02 1dgn h ASN 41 CO -0.21 1.08 -0.00 0.50 -1.06 0.00 0.00 177.43 177.74 1dgn h LYS 42 N 0.48 0.11 0.10 0.81 3.11 0.13 0.29 116.57 121.60 1dgn h LYS 42 Ca 0.02 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1dgn h LYS 42 Cb 1.07 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1dgn h LYS 42 CO 0.10 0.07 -0.05 0.28 -2.81 0.00 0.00 179.45 177.05 1dgn h VAL 43 N 0.11 1.11 0.00 2.00 2.07 -1.51 -3.02 116.25 117.02 1dgn h VAL 43 Ca 0.25 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1dgn h VAL 43 Cb 0.38 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1dgn h VAL 43 CO -0.42 0.27 0.35 -0.09 0.02 0.00 0.00 177.57 177.70 1dgn h ARG 44 N -0.71 0.00 0.00 1.57 1.12 -1.01 0.12 114.38 115.48 1dgn h ARG 44 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1dgn h ARG 44 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1dgn h ARG 44 CO 0.02 0.00 0.02 0.22 -3.11 0.00 0.00 179.97 177.13 1dgn h ASP 45 N 0.00 0.00 -6.09 -3.80 1.82 -0.30 -3.47 116.42 104.59 1dgn h ASP 45 Ca 0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1dgn h ASP 45 Cb 0.71 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.73 1dgn h ASP 45 CO 0.00 0.00 -0.96 -0.62 -1.61 0.00 0.00 179.24 176.05 1dgn n GLU 46 N -2.32 -2.05 -0.06 0.28 1.02 0.42 -4.90 120.64 113.02 1dgn n GLU 46 Ca -0.02 1.67 -0.13 0.00 -0.02 0.00 0.00 57.16 58.66 1dgn n GLU 46 Cb 0.06 -3.29 -0.06 0.00 -0.02 0.00 0.00 31.44 28.13 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 2.17 0.52 0.00 1.62 7.08 -1.87 -3.49 115.58 121.61 1dgn h ASN 47 Ca -0.34 -0.50 0.00 0.00 -3.08 0.00 0.00 56.30 52.39 1dgn h ASN 47 Cb 1.21 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 1dgn h ASN 47 CO 0.20 0.91 0.00 -0.67 -2.08 0.00 0.00 177.43 175.80 1dgn n ASP 48 N -4.43 2.02 -2.66 6.14 2.03 -1.26 -5.05 116.55 113.34 1dgn n ASP 48 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1dgn n ASP 48 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1dgn n THR 49 N 0.00 0.00 0.10 5.18 -2.24 -1.26 -4.56 114.28 111.50 1dgn n THR 49 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1dgn n THR 49 Cb 0.00 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.66 0.91 -1.30 2.28 2.07 -1.97 -0.79 116.25 115.79 1dgn h VAL 50 Ca 0.00 -0.24 0.42 0.00 0.82 0.00 0.00 66.70 67.70 1dgn h VAL 50 Cb 0.00 1.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 1dgn h VAL 50 CO 0.00 0.06 0.84 0.24 0.02 0.00 0.00 177.57 178.73 1dgn h MET 51 N -0.31 0.11 0.10 1.57 2.86 -1.92 0.50 114.93 117.83 1dgn h MET 51 Ca -0.02 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.35 1dgn h MET 51 Cb 0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1dgn h MET 51 CO 0.03 0.07 -1.38 -0.44 1.06 0.00 0.00 176.91 176.26 1dgn h ASP 52 N 0.11 0.32 0.44 1.22 5.19 -1.82 -3.06 116.42 118.82 1dgn h ASP 52 Ca 0.79 -0.82 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1dgn h ASP 52 Cb 2.48 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 41.88 1dgn h ASP 52 CO -0.39 1.60 -0.05 0.11 -3.12 0.00 0.00 179.24 177.39 1dgn h LYS 53 N -0.39 0.00 0.00 3.56 1.57 0.56 -3.05 116.57 118.82 1dgn h LYS 53 Ca -0.31 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1dgn h LYS 53 Cb 1.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1dgn h LYS 53 CO 0.02 0.05 -0.49 0.00 -0.57 0.00 0.00 179.45 178.46 1dgn h ALA 54 N 1.95 0.09 -0.97 3.86 0.00 -0.25 -2.91 119.26 121.04 1dgn h ALA 54 Ca -0.00 -0.69 0.30 0.00 0.00 0.00 0.00 54.91 54.52 1dgn h ALA 54 Cb 0.28 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1dgn h ALA 54 CO 0.01 0.29 0.45 -0.09 0.00 0.00 0.00 179.25 179.91 1dgn h ARG 55 N -1.00 0.26 0.02 0.00 2.43 -1.44 0.85 114.38 115.49 1dgn h ARG 55 Ca -0.12 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1dgn h ARG 55 Cb 0.94 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1dgn h ARG 55 CO -0.07 0.17 -0.42 -0.39 -1.51 0.00 0.00 179.97 177.75 1dgn h VAL 56 N 0.26 1.52 0.02 0.20 -1.51 -1.68 -2.75 116.25 112.31 1dgn h VAL 56 Ca 0.68 -2.09 0.03 0.00 -1.23 0.00 0.00 66.70 64.10 1dgn h VAL 56 Cb 1.52 2.80 -0.05 0.00 -2.13 0.00 0.00 31.29 33.44 1dgn h VAL 56 CO -0.64 0.58 -0.32 0.25 -1.23 0.00 0.00 177.57 176.21 1dgn h LEU 57 N -0.38 -0.95 -1.68 4.19 5.85 -0.77 0.80 115.31 122.37 1dgn h LEU 57 Ca -0.06 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1dgn h LEU 57 Cb 1.19 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1dgn h LEU 57 CO 0.08 -0.39 0.00 -0.29 -0.34 0.00 0.00 178.44 177.51 1dgn h ILE 58 N -0.48 1.09 0.12 4.05 2.10 -1.07 -2.90 117.51 120.42 1dgn h ILE 58 Ca 0.06 -0.35 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 1dgn h ILE 58 Cb 0.56 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1dgn h ILE 58 CO -0.25 0.12 -0.06 -0.78 -1.08 0.00 0.00 178.15 176.10 1dgn h ASP 59 N 0.19 -0.13 -0.76 2.19 3.58 -0.92 -2.95 116.42 117.63 1dgn h ASP 59 Ca 0.05 -0.30 0.14 0.00 0.42 0.00 0.00 57.03 57.34 1dgn h ASP 59 Cb 0.14 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.13 1dgn h ASP 59 CO 0.00 0.24 0.31 -0.07 -2.88 0.00 0.00 179.24 176.84 1dgn h LEU 60 N -0.52 0.30 0.35 2.28 3.38 -0.70 -1.41 115.31 118.99 1dgn h LEU 60 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dgn h LEU 60 Cb 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1dgn h LEU 60 CO 0.03 0.12 -0.29 0.58 0.09 0.00 0.00 178.44 178.96 1dgn h VAL 61 N 0.46 0.00 -0.36 1.22 2.07 -1.50 -1.79 116.25 116.35 1dgn h VAL 61 Ca 0.41 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.04 1dgn h VAL 61 Cb 0.62 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1dgn h VAL 61 CO -0.39 0.00 0.49 0.74 0.02 0.00 0.00 177.57 178.43 1dgn h THR 62 N -0.63 0.25 -0.46 2.57 2.02 -1.30 0.16 112.91 115.52 1dgn h THR 62 Ca -0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1dgn h THR 62 Cb 0.53 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1dgn h THR 62 CO -0.01 0.00 -0.05 1.23 0.37 0.00 0.00 175.52 177.06 1dgn h GLY 63 N 0.00 0.93 -2.04 2.16 0.00 -0.38 -2.84 103.07 100.91 1dgn h GLY 63 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1dgn h GLY 63 CO -0.00 0.66 0.00 0.28 0.00 0.00 0.00 176.54 177.48 1dgn n LYS 64 N -4.30 0.92 -0.03 4.80 4.76 0.04 -4.95 118.16 119.40 1dgn n LYS 64 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1dgn n LYS 64 Cb 0.35 -1.04 -0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 0.57 -1.88 0.10 0.72 0.00 -1.07 -4.39 105.19 99.25 1dgn n GLY 65 Ca 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.37 0.20 0.26 1.61 -0.04 -1.26 -3.14 135.00 130.26 1dgn n PRO 66 Ca -0.00 0.30 0.17 0.00 -0.04 0.00 0.00 63.50 63.92 1dgn n PRO 66 Cb 0.02 -1.80 0.89 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.94 0.12 116.57 118.93 1dgn h LYS 67 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1dgn h LYS 67 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1dgn h LYS 67 CO 0.00 0.00 -0.71 1.03 -2.27 0.00 0.00 179.45 177.50 1dgn h SER 68 N 0.00 0.00 -0.70 4.20 0.87 -1.75 -3.33 113.55 112.84 1dgn h SER 68 Ca 0.04 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.73 1dgn h SER 68 Cb 0.26 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.13 1dgn h SER 68 CO -0.00 0.56 0.25 0.00 -0.53 0.00 0.00 176.83 177.11 1dgn h LYS 71 N -0.57 0.12 0.00 0.00 1.79 -1.69 -1.49 116.57 114.73 1dgn h LYS 71 Ca -0.04 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1dgn h LYS 71 Cb 0.49 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1dgn h LYS 71 CO -0.04 0.08 0.00 0.34 -1.08 0.00 0.00 179.45 178.75 1dgn n PHE 72 N -4.41 0.00 -0.33 -1.35 -0.00 0.21 -1.44 117.46 110.14 1dgn n PHE 72 Ca 0.10 0.00 0.26 0.00 -0.00 0.00 0.00 57.45 57.81 1dgn n PHE 72 Cb 0.55 -0.38 0.50 0.00 -0.00 0.00 0.00 39.48 40.14 1dgn n PHE 72 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1dgn h ILE 73 N 0.00 0.24 0.58 -2.13 2.04 -0.28 -0.36 117.51 117.59 1dgn h ILE 73 Ca 0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1dgn h ILE 73 Cb 0.00 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1dgn h ILE 73 CO 0.00 0.05 -0.28 0.11 0.00 0.00 0.00 178.15 178.03 1dgn h LYS 74 N 0.25 -0.75 -0.97 2.37 1.57 -1.36 -2.37 116.57 115.31 1dgn h LYS 74 Ca 0.76 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.87 1dgn h LYS 74 Cb 1.81 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 34.25 1dgn h LYS 74 CO -0.63 -0.50 0.78 0.45 -0.57 0.00 0.00 179.45 178.97 1dgn h HIS 75 N -1.11 0.00 -0.00 -1.35 3.86 -0.10 0.90 115.15 117.35 1dgn h HIS 75 Ca -0.08 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.95 1dgn h HIS 75 Cb 0.60 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1dgn h HIS 75 CO 0.01 0.00 -0.84 1.25 0.86 0.00 0.00 177.93 179.22 1dgn h LEU 76 N 0.00 0.17 -0.34 2.43 5.85 -1.00 -2.83 115.31 119.60 1dgn h LEU 76 Ca 0.46 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1dgn h LEU 76 Cb 2.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 1dgn h LEU 76 CO -0.00 0.93 0.22 0.00 -0.34 0.00 0.00 178.44 179.25 1dgn h GLU 78 N 0.45 0.00 0.02 0.00 4.11 -1.59 -3.17 114.58 114.40 1dgn h GLU 78 Ca 0.12 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.30 1dgn h GLU 78 Cb -0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1dgn h GLU 78 CO -0.03 0.44 -1.29 0.93 0.07 0.00 0.00 179.01 179.13 1dgn h GLU 79 N 0.00 0.04 -1.88 1.06 4.39 -1.21 -3.44 114.58 113.54 1dgn h GLU 79 Ca -0.00 -0.08 -0.23 0.00 0.34 0.00 0.00 59.36 59.39 1dgn h GLU 79 Cb 1.18 0.03 -0.30 0.00 -0.10 0.00 0.00 28.75 29.55 1dgn h GLU 79 CO 0.06 0.87 -0.56 0.34 -1.16 0.00 0.00 179.01 178.56 1dgn s ASP 80 N -6.58 0.81 0.37 1.42 -1.08 0.16 -4.92 116.67 106.85 1dgn s ASP 80 Ca -0.02 -0.44 0.22 0.00 -0.52 0.00 0.00 52.55 51.79 1dgn s ASP 80 Cb 0.09 0.90 0.24 0.00 -1.46 0.00 0.00 42.92 42.69 1dgn s ASP 80 CO 0.83 -0.36 1.47 1.55 0.52 0.00 0.00 175.17 179.18 1dgn h PRO 81 N 8.20 0.00 0.54 4.34 0.13 -1.76 -2.65 132.00 140.80 1dgn h PRO 81 Ca -0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 1dgn h PRO 81 Cb 1.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1dgn h PRO 81 CO 0.29 0.05 -0.26 0.37 -0.23 0.00 0.00 178.00 178.22 1dgn h GLN 82 N 0.00 -0.70 0.20 0.86 4.15 -1.94 -2.51 115.11 115.17 1dgn h GLN 82 Ca -0.00 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1dgn h GLN 82 Cb 1.05 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1dgn h GLN 82 CO 0.01 -0.44 -0.10 1.25 -1.93 0.00 0.00 178.83 177.62 1dgn h LEU 83 N -1.16 -0.23 -1.55 -2.39 5.85 -1.96 -2.42 115.31 111.45 1dgn h LEU 83 Ca -0.07 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1dgn h LEU 83 Cb 0.59 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1dgn h LEU 83 CO 0.12 0.04 0.50 0.00 -0.34 0.00 0.00 178.44 178.76 1dgn h ALA 84 N 0.23 1.55 -0.85 1.25 0.00 -1.59 0.20 119.26 120.04 1dgn h ALA 84 Ca -0.03 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1dgn h ALA 84 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1dgn h ALA 84 CO 0.05 -0.52 0.56 1.03 0.00 0.00 0.00 179.25 180.37 1dgn h SER 85 N 0.00 0.50 0.29 0.00 0.87 -0.96 1.79 113.55 116.05 1dgn h SER 85 Ca 0.02 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.28 1dgn h SER 85 Cb 1.01 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1dgn h SER 85 CO -0.00 0.24 -1.64 0.11 -0.53 0.00 0.00 176.83 175.01 1dgn h LYS 86 N 0.52 0.37 -0.59 2.24 1.79 -0.77 -3.29 116.57 116.84 1dgn h LYS 86 Ca 0.43 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1dgn h LYS 86 Cb 0.89 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1dgn h LYS 86 CO -0.17 1.27 0.00 -1.33 -1.08 0.00 0.00 179.45 178.14 1dgn n MET 87 N -3.56 2.27 -0.96 3.15 2.81 -0.23 -4.27 117.12 116.32 1dgn n MET 87 Ca -0.21 -1.27 -0.20 0.00 -1.81 0.00 0.00 57.70 54.21 1dgn n MET 87 Cb 1.07 -1.57 0.07 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.61 4.36 0.40 3.03 0.00 0.59 -4.71 105.19 109.48 1dgn n GLY 88 Ca 0.11 -1.26 0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.14 0.11 0.00 0.99 7.99 -1.26 -5.03 117.00 119.65 1dgn n LEU 89 Ca 0.39 0.93 0.13 0.00 -0.01 0.00 0.00 56.01 57.45 1dgn n LEU 89 Cb 0.76 -0.46 0.78 0.00 -0.11 0.00 0.00 43.42 44.39 1dgn n LEU 89 CO 0.47 -0.99 0.96 1.41 -1.51 0.00 0.00 177.39 177.73