#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 -1.19 -0.34 0.00 -4.77 -1.26 -5.01 116.67 104.10 1dgn s ASP 3 Ca 0.00 -1.11 0.15 0.00 -3.30 0.00 0.00 52.55 48.29 1dgn s ASP 3 Cb 0.00 1.55 0.43 0.00 -1.09 0.00 0.00 42.92 43.81 1dgn s ASP 3 CO 0.00 -0.08 1.34 0.00 0.70 0.00 0.00 175.17 177.14 1dgn n GLN 4 N 3.38 1.37 -0.24 2.11 6.02 -1.26 -5.00 117.38 123.75 1dgn n GLN 4 Ca 0.14 -2.06 -0.08 0.00 -0.01 0.00 0.00 57.00 54.99 1dgn n GLN 4 Cb 0.58 -0.29 -0.04 0.00 1.02 0.00 0.00 30.24 31.52 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 1.81 -1.57 0.08 1.08 6.46 -2.00 -1.79 115.31 119.38 1dgn h LEU 5 Ca -0.30 0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1dgn h LEU 5 Cb 1.28 0.72 -0.05 0.00 -0.73 0.00 0.00 40.66 41.88 1dgn h LEU 5 CO -0.00 -0.32 -0.53 -0.07 -0.62 0.00 0.00 178.44 176.89 1dgn h LEU 6 N -0.19 -1.60 -0.59 2.25 -0.00 -1.94 0.23 115.31 113.47 1dgn h LEU 6 Ca 0.19 0.17 0.05 0.00 -0.00 0.00 0.00 57.88 58.30 1dgn h LEU 6 Cb 0.55 0.60 -0.07 0.00 -0.00 0.00 0.00 40.66 41.74 1dgn h LEU 6 CO -0.74 -0.54 -0.35 -1.14 -0.00 0.00 0.00 178.44 175.67 1dgn n ARG 7 N -5.48 -0.26 -0.26 1.13 0.00 -0.72 0.26 116.66 111.32 1dgn n ARG 7 Ca -0.08 1.30 -0.05 0.00 -0.00 0.00 0.00 57.85 59.02 1dgn n ARG 7 Cb 0.41 -1.92 0.06 0.00 0.00 0.00 0.00 32.46 31.01 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 0.96 -0.33 -0.14 1.79 -1.25 -1.27 116.57 116.33 1dgn h LYS 8 Ca 0.09 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1dgn h LYS 8 Cb 0.24 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1dgn h LYS 8 CO -0.56 0.63 0.00 1.63 -1.08 0.00 0.00 179.45 180.08 1dgn n LYS 9 N -4.58 1.56 -0.05 3.15 4.76 0.80 -4.05 118.16 119.75 1dgn n LYS 9 Ca 0.07 -0.71 0.01 0.00 -2.87 0.00 0.00 58.31 54.80 1dgn n LYS 9 Cb 0.02 -1.26 0.30 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.10 0.64 0.00 1.97 2.43 0.48 -1.69 114.38 119.32 1dgn h ARG 10 Ca 0.00 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 1dgn h ARG 10 Cb 0.38 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1dgn h ARG 10 CO 0.03 0.55 -0.72 0.07 -1.51 0.00 0.00 179.97 178.39 1dgn h ARG 11 N 0.63 0.00 0.05 0.20 0.11 -1.78 -2.96 114.38 110.64 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 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1dgn h ARG 11 CO -0.01 0.72 -0.03 0.82 0.10 0.00 0.00 179.97 181.57 1dgn h ILE 12 N 0.00 0.00 -0.44 0.08 2.04 -1.68 -2.84 117.51 114.67 1dgn h ILE 12 Ca -0.01 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1dgn h ILE 12 Cb 1.41 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1dgn h ILE 12 CO 0.09 0.00 -0.12 0.15 0.00 0.00 0.00 178.15 178.28 1dgn h PHE 13 N -0.22 -0.25 -0.20 1.37 3.57 -1.50 -2.35 116.94 117.36 1dgn h PHE 13 Ca -0.01 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1dgn h PHE 13 Cb 0.05 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1dgn h PHE 13 CO 0.05 -0.20 -0.08 0.97 -2.23 0.00 0.00 178.31 176.83 1dgn h ILE 14 N -0.01 0.74 -1.04 1.41 2.10 -1.68 -1.06 117.51 117.96 1dgn h ILE 14 Ca 0.21 0.00 -0.62 0.00 1.08 0.00 0.00 64.86 65.53 1dgn h ILE 14 Cb 0.33 0.74 -0.14 0.00 -1.09 0.00 0.00 36.82 36.66 1dgn h ILE 14 CO -0.46 0.00 1.56 1.41 -1.08 0.00 0.00 178.15 179.58 1dgn n HIS 15 N -5.23 2.10 0.07 2.19 8.25 -0.89 -4.19 115.22 117.52 1dgn n HIS 15 Ca -0.02 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 1dgn n HIS 15 Cb 0.15 -1.67 0.00 0.00 1.12 0.00 0.00 29.99 29.59 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 1.47 -1.27 -4.70 0.41 7.64 -1.10 -4.89 113.62 111.18 1dgn n SER 16 Ca 0.57 0.42 -0.65 0.00 1.01 0.00 0.00 58.87 60.22 1dgn n SER 16 Cb 0.39 1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 64.92 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 -2.82 0.03 -3.20 0.44 3.14 -0.42 -4.90 118.33 110.61 1dgn n VAL 17 Ca 0.00 -0.01 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 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 2.54 2.70 0.42 7.55 0.00 -1.26 -4.91 107.32 114.35 1dgn s GLY 18 Ca 1.02 0.10 0.30 0.00 0.00 0.00 0.00 44.72 46.13 1dgn s GLY 18 CO 0.75 0.63 1.05 0.00 0.00 0.00 0.00 173.10 175.54 1dgn n ALA 19 N 2.01 1.12 -0.03 3.20 0.00 -1.26 0.11 120.51 125.66 1dgn n ALA 19 Ca -0.08 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 1dgn n ALA 19 Cb 0.50 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 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 0.08 1.39 0.00 0.00 -2.00 -3.27 103.07 99.26 1dgn h GLY 20 Ca 0.56 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1dgn h GLY 20 CO -0.01 0.09 0.15 -0.84 0.00 0.00 0.00 176.54 175.93 1dgn h THR 21 N -0.53 1.21 0.10 4.70 2.02 0.36 -3.08 112.91 117.70 1dgn h THR 21 Ca -0.00 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1dgn h THR 21 Cb 0.69 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1dgn h THR 21 CO 0.01 0.28 -0.38 0.40 0.37 0.00 0.00 175.52 176.20 1dgn h ILE 22 N 0.76 0.00 -0.99 3.11 2.04 -1.54 0.72 117.51 121.60 1dgn h ILE 22 Ca 0.17 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.19 1dgn h ILE 22 Cb 0.25 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.23 1dgn h ILE 22 CO -0.01 0.00 0.62 -1.13 0.00 0.00 0.00 178.15 177.63 1dgn h ASN 23 N -0.55 0.80 0.87 1.72 -1.24 -1.60 0.81 115.58 116.40 1dgn h ASN 23 Ca -0.01 0.07 -0.12 0.00 0.71 0.00 0.00 56.30 56.95 1dgn h ASN 23 Cb 0.55 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1dgn h ASN 23 CO -0.20 0.35 -0.59 0.00 -1.29 0.00 0.00 177.43 175.71 1dgn h ALA 24 N 1.60 0.84 0.34 1.57 0.00 -1.30 -2.91 119.26 119.41 1dgn h ALA 24 Ca 0.53 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dgn h ALA 24 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1dgn h ALA 24 CO -0.31 0.73 -0.17 1.25 0.00 0.00 0.00 179.25 180.75 1dgn h LEU 25 N 0.00 -0.39 -1.76 0.00 7.12 0.27 -3.07 115.31 117.48 1dgn h LEU 25 Ca -0.01 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.08 1dgn h LEU 25 Cb 1.18 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.38 1dgn h LEU 25 CO 0.08 0.06 0.39 0.17 -0.13 0.00 0.00 178.44 179.01 1dgn h LEU 26 N -1.09 0.24 0.01 2.25 8.10 -1.30 -1.69 115.31 121.83 1dgn h LEU 26 Ca -0.05 0.01 0.01 0.00 0.11 0.00 0.00 57.88 57.96 1dgn h LEU 26 Cb 0.42 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.58 1dgn h LEU 26 CO 0.08 0.14 -0.06 -0.78 -4.11 0.00 0.00 178.44 173.70 1dgn h ASP 27 N 0.26 -0.18 -0.88 0.17 3.58 -1.55 -2.54 116.42 115.28 1dgn h ASP 27 Ca 0.27 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.76 1dgn h ASP 27 Cb 0.71 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.79 1dgn h ASP 27 CO -0.06 -0.09 0.58 0.00 -2.88 0.00 0.00 179.24 176.79 1dgn h LEU 29 N 1.18 -0.27 -0.84 0.00 3.38 -1.09 0.16 115.31 117.82 1dgn h LEU 29 Ca 0.33 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.51 1dgn h LEU 29 Cb -0.11 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1dgn h LEU 29 CO -0.08 -0.10 0.50 -0.07 0.09 0.00 0.00 178.44 178.79 1dgn h LEU 30 N 0.10 0.76 -0.86 1.67 3.38 -1.14 -1.15 115.31 118.07 1dgn h LEU 30 Ca 0.27 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.48 1dgn h LEU 30 Cb 0.42 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 1dgn h LEU 30 CO -0.47 0.46 0.33 -0.08 0.09 0.00 0.00 178.44 178.78 1dgn h GLU 31 N 0.88 0.34 0.00 1.13 4.81 -0.84 1.00 114.58 121.91 1dgn h GLU 31 Ca 0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1dgn h GLU 31 Cb 0.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1dgn h GLU 31 CO -0.21 0.23 0.00 -0.44 -0.73 0.00 0.00 179.01 177.86 1dgn h ASP 32 N 0.35 0.00 -3.33 1.04 3.32 -1.09 -3.47 116.42 113.24 1dgn h ASP 32 Ca 0.53 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.28 1dgn h ASP 32 Cb 0.99 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.59 1dgn h ASP 32 CO -0.54 0.00 -0.44 -0.62 -1.72 0.00 0.00 179.24 175.92 1dgn n GLU 33 N -2.89 -3.47 0.07 3.56 1.02 0.35 -4.93 120.64 114.35 1dgn n GLU 33 Ca 0.04 0.68 -0.21 0.00 -0.02 0.00 0.00 57.16 57.65 1dgn n GLU 33 Cb 0.48 -5.04 -0.12 0.00 -0.02 0.00 0.00 31.44 26.75 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 -0.96 1.28 -3.47 2.62 3.04 -1.79 -3.46 116.25 113.52 1dgn h VAL 34 Ca -0.39 -2.37 -0.50 0.00 -1.01 0.00 0.00 66.70 62.43 1dgn h VAL 34 Cb 1.27 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 33.09 1dgn h VAL 34 CO 0.42 0.73 -0.00 0.27 -1.01 0.00 0.00 177.57 177.98 1dgn s ILE 35 N -3.14 4.90 0.18 3.17 -4.36 -1.26 -4.98 121.20 115.70 1dgn s ILE 35 Ca -0.09 0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 60.54 1dgn s ILE 35 Cb 0.06 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 39.97 1dgn s ILE 35 CO 0.93 -0.44 0.52 -0.55 0.24 0.00 0.00 174.94 175.63 1dgn s SER 36 N -3.19 6.67 0.56 4.36 0.15 -1.26 -4.89 113.70 116.10 1dgn s SER 36 Ca 0.48 0.92 0.38 0.00 0.70 0.00 0.00 55.95 58.42 1dgn s SER 36 Cb -0.10 -2.23 1.51 0.00 -1.71 0.00 0.00 66.02 63.49 1dgn s SER 36 CO 0.31 0.01 1.71 -0.61 1.20 0.00 0.00 173.24 175.86 1dgn h GLN 37 N 2.98 0.00 -0.19 5.44 -0.00 -1.99 1.44 115.11 122.79 1dgn h GLN 37 Ca -0.47 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 57.99 1dgn h GLN 37 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.66 1dgn h GLN 37 CO 0.68 0.00 -0.62 0.93 0.00 0.00 0.00 178.83 179.82 1dgn h GLU 38 N 0.00 0.67 -0.02 1.69 5.08 -2.00 -2.89 114.58 117.11 1dgn h GLU 38 Ca 0.59 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1dgn h GLU 38 Cb 2.53 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.85 1dgn h GLU 38 CO -0.01 1.09 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.60 1dgn h ASP 39 N 0.50 0.08 -1.05 1.42 5.19 0.15 -2.87 116.42 119.84 1dgn h ASP 39 Ca -0.01 -0.58 0.28 0.00 -0.62 0.00 0.00 57.03 56.11 1dgn h ASP 39 Cb 1.21 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.62 1dgn h ASP 39 CO 0.12 0.64 0.71 -0.03 -3.12 0.00 0.00 179.24 177.57 1dgn h MET 40 N -0.48 0.23 -0.33 3.56 1.85 -1.10 0.65 114.93 119.32 1dgn h MET 40 Ca 0.00 -0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 58.93 1dgn h MET 40 Cb 0.63 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 1dgn h MET 40 CO 0.01 0.15 -0.40 -0.91 -0.40 0.00 0.00 176.91 175.37 1dgn h ASN 41 N 0.24 0.84 -0.54 1.39 -0.26 -1.38 -2.49 115.58 113.36 1dgn h ASN 41 Ca 0.56 -0.38 0.11 0.00 -0.56 0.00 0.00 56.30 56.03 1dgn h ASN 41 Cb 1.72 -0.24 -0.09 0.00 -1.06 0.00 0.00 38.32 38.65 1dgn h ASN 41 CO -0.18 1.13 -0.01 0.50 -1.06 0.00 0.00 177.43 177.82 1dgn h LYS 42 N 0.64 0.11 -0.07 0.81 1.63 0.55 0.48 116.57 120.71 1dgn h LYS 42 Ca 0.05 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1dgn h LYS 42 Cb 0.95 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1dgn h LYS 42 CO 0.09 0.07 -0.10 0.28 -3.45 0.00 0.00 179.45 176.34 1dgn h VAL 43 N 0.11 1.39 -0.68 2.00 2.07 -1.50 -3.09 116.25 116.55 1dgn h VAL 43 Ca 0.28 -1.34 0.20 0.00 0.82 0.00 0.00 66.70 66.65 1dgn h VAL 43 Cb 0.43 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1dgn h VAL 43 CO -0.47 0.37 0.49 -0.09 0.02 0.00 0.00 177.57 177.90 1dgn h ARG 44 N -0.27 0.00 0.00 1.57 9.65 -0.96 0.17 114.38 124.55 1dgn h ARG 44 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1dgn h ARG 44 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1dgn h ARG 44 CO 0.02 0.00 0.38 0.22 2.80 0.00 0.00 179.97 183.39 1dgn h ASP 45 N 0.00 0.00 -6.33 -3.80 3.58 -0.83 -3.46 116.42 105.59 1dgn h ASP 45 Ca 0.32 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.45 1dgn h ASP 45 Cb 1.30 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.36 1dgn h ASP 45 CO -0.00 0.00 -1.08 -0.62 -2.88 0.00 0.00 179.24 174.65 1dgn n GLU 46 N -2.80 -2.01 0.50 0.28 1.02 0.59 -4.90 120.64 113.32 1dgn n GLU 46 Ca -0.02 1.55 -0.20 0.00 -0.02 0.00 0.00 57.16 58.46 1dgn n GLU 46 Cb 0.42 -2.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.01 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 2.04 -1.18 0.00 1.62 2.35 -1.87 -3.49 115.58 115.05 1dgn h ASN 47 Ca -0.47 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1dgn h ASN 47 Cb 1.34 0.32 0.00 0.00 0.05 0.00 0.00 38.32 40.03 1dgn h ASN 47 CO 0.23 -0.79 0.00 -0.67 -1.65 0.00 0.00 177.43 174.54 1dgn n ASP 48 N -5.65 4.30 -3.03 5.81 2.03 -1.26 -5.06 116.55 113.68 1dgn n ASP 48 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1dgn n ASP 48 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.22 5.18 -2.24 -1.26 -4.50 114.28 111.69 1dgn n THR 49 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1dgn n THR 49 Cb 0.00 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.49 0.47 -0.65 2.28 2.07 -1.97 -2.72 116.25 114.23 1dgn h VAL 50 Ca 0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1dgn h VAL 50 Cb 0.00 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1dgn h VAL 50 CO 0.00 0.20 0.37 0.24 0.02 0.00 0.00 177.57 178.40 1dgn h MET 51 N 0.00 0.90 0.19 1.57 2.86 -1.88 0.26 114.93 118.83 1dgn h MET 51 Ca -0.00 -0.10 -0.31 0.00 -2.06 0.00 0.00 59.70 57.23 1dgn h MET 51 Cb 0.77 -0.18 0.02 0.00 0.06 0.00 0.00 31.60 32.27 1dgn h MET 51 CO 0.03 0.66 -1.41 0.22 1.06 0.00 0.00 176.91 177.47 1dgn h ASP 52 N 0.88 0.62 -0.37 1.22 1.82 -1.84 -2.59 116.42 116.16 1dgn h ASP 52 Ca 0.23 -0.69 -0.12 0.00 -0.39 0.00 0.00 57.03 56.06 1dgn h ASP 52 Cb 0.02 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1dgn h ASP 52 CO -0.04 1.55 -0.25 0.11 -1.61 0.00 0.00 179.24 179.00 1dgn h LYS 53 N 0.11 0.81 0.00 0.28 1.57 -1.39 -2.83 116.57 115.13 1dgn h LYS 53 Ca -0.21 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.09 1dgn h LYS 53 Cb 2.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 1dgn h LYS 53 CO 0.23 1.02 -0.42 0.00 -0.57 0.00 0.00 179.45 179.71 1dgn h ALA 54 N 0.78 0.89 -0.11 3.86 0.00 -0.60 -1.99 119.26 122.08 1dgn h ALA 54 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1dgn h ALA 54 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1dgn h ALA 54 CO 0.07 0.52 0.02 -0.09 0.00 0.00 0.00 179.25 179.77 1dgn h ARG 55 N 0.00 0.18 -0.03 0.00 9.65 -1.31 -2.76 114.38 120.11 1dgn h ARG 55 Ca -0.00 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1dgn h ARG 55 Cb 1.05 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.61 1dgn h ARG 55 CO 0.05 0.37 -0.30 -0.39 2.80 0.00 0.00 179.97 182.51 1dgn h VAL 56 N -0.04 1.48 -0.63 0.20 -1.51 -1.52 -2.75 116.25 111.49 1dgn h VAL 56 Ca 0.03 -1.82 0.12 0.00 -1.23 0.00 0.00 66.70 63.80 1dgn h VAL 56 Cb 0.28 2.53 -0.12 0.00 -2.13 0.00 0.00 31.29 31.85 1dgn h VAL 56 CO 0.00 0.51 -0.28 0.25 -1.23 0.00 0.00 177.57 176.83 1dgn h LEU 57 N -0.32 -0.98 -1.08 4.19 5.85 -1.41 0.43 115.31 122.00 1dgn h LEU 57 Ca -0.03 0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1dgn h LEU 57 Cb 0.99 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1dgn h LEU 57 CO 0.06 -0.28 -0.33 -0.29 -0.34 0.00 0.00 178.44 177.26 1dgn h ILE 58 N -0.11 0.84 -0.22 4.05 2.10 -1.59 -3.03 117.51 119.56 1dgn h ILE 58 Ca 0.27 -1.36 -0.18 0.00 1.08 0.00 0.00 64.86 64.67 1dgn h ILE 58 Cb 0.54 1.83 -0.00 0.00 -1.09 0.00 0.00 36.82 38.10 1dgn h ILE 58 CO -0.69 0.33 -0.59 -0.78 -1.08 0.00 0.00 178.15 175.33 1dgn h ASP 59 N 0.00 0.83 -0.40 2.19 1.82 -0.04 -3.10 116.42 117.71 1dgn h ASP 59 Ca -0.00 -0.46 -0.04 0.00 -0.39 0.00 0.00 57.03 56.14 1dgn h ASP 59 Cb 0.81 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 1dgn h ASP 59 CO 0.04 1.23 0.10 -0.07 -1.61 0.00 0.00 179.24 178.94 1dgn h LEU 60 N 0.55 0.60 0.30 2.28 3.38 -0.34 -2.67 115.31 119.41 1dgn h LEU 60 Ca 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1dgn h LEU 60 Cb 1.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1dgn h LEU 60 CO 0.12 0.67 -0.44 0.58 0.09 0.00 0.00 178.44 179.47 1dgn h VAL 61 N 0.50 0.00 -0.65 1.22 2.07 -1.55 -2.66 116.25 115.18 1dgn h VAL 61 Ca 0.13 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1dgn h VAL 61 Cb 0.30 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.96 1dgn h VAL 61 CO 0.00 0.00 0.03 0.74 0.02 0.00 0.00 177.57 178.36 1dgn h THR 62 N -0.77 0.47 -0.93 2.57 2.02 -1.57 -0.70 112.91 114.01 1dgn h THR 62 Ca -0.03 -0.05 0.27 0.00 0.77 0.00 0.00 66.41 67.37 1dgn h THR 62 Cb 0.70 0.32 -0.15 0.00 -1.74 0.00 0.00 68.15 67.29 1dgn h THR 62 CO -0.13 0.02 0.35 1.23 0.37 0.00 0.00 175.52 177.36 1dgn h GLY 63 N 0.14 1.62 -1.87 2.16 0.00 -1.12 0.60 103.07 104.59 1dgn h GLY 63 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1dgn h GLY 63 CO -0.55 -0.42 0.00 0.28 0.00 0.00 0.00 176.54 175.85 1dgn n LYS 64 N -5.18 0.86 -0.15 4.80 4.76 -0.27 -4.95 118.16 118.04 1dgn n LYS 64 Ca 0.25 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.71 1dgn n LYS 64 Cb 0.80 -1.12 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 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 0.51 -1.96 0.09 0.72 0.00 0.21 -4.37 105.19 100.38 1dgn n GLY 65 Ca 0.00 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 0.18 0.27 1.61 -0.04 -1.26 -3.26 135.00 129.93 1dgn n PRO 66 Ca -0.00 0.24 0.17 0.00 -0.04 0.00 0.00 63.50 63.86 1dgn n PRO 66 Cb 0.07 -1.75 0.92 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.89 116.57 119.70 1dgn h LYS 67 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1dgn h LYS 67 Cb 0.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1dgn h LYS 67 CO 0.00 0.00 -0.80 1.03 -2.27 0.00 0.00 179.45 177.41 1dgn h SER 68 N 0.00 0.00 -0.47 4.20 0.87 -1.75 -3.34 113.55 113.07 1dgn h SER 68 Ca 0.03 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1dgn h SER 68 Cb 0.20 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 1dgn h SER 68 CO -0.00 0.76 -0.15 0.00 -0.53 0.00 0.00 176.83 176.91 1dgn h LYS 71 N -0.16 0.00 -0.10 0.00 1.57 -1.58 -2.09 116.57 114.20 1dgn h LYS 71 Ca 0.23 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1dgn h LYS 71 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1dgn h LYS 71 CO -0.69 0.21 -0.51 0.35 -0.57 0.00 0.00 179.45 178.24 1dgn h PHE 72 N 0.00 0.71 -0.04 -1.35 3.57 0.13 -0.42 116.94 119.54 1dgn h PHE 72 Ca -0.00 -0.31 -0.14 0.00 3.53 0.00 0.00 57.97 61.04 1dgn h PHE 72 Cb 0.51 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1dgn h PHE 72 CO 0.00 1.09 -0.63 0.82 -2.23 0.00 0.00 178.31 177.36 1dgn h ILE 73 N 0.13 1.42 0.04 1.41 2.04 -0.42 -2.82 117.51 119.31 1dgn h ILE 73 Ca -0.03 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 63.73 1dgn h ILE 73 Cb 1.15 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1dgn h ILE 73 CO 0.11 0.61 -0.02 0.11 0.00 0.00 0.00 178.15 178.95 1dgn h LYS 74 N 0.11 -0.06 -0.71 2.37 1.57 -1.42 -2.76 116.57 115.67 1dgn h LYS 74 Ca -0.01 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 1dgn h LYS 74 Cb 1.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1dgn h LYS 74 CO 0.09 0.44 0.51 0.45 -0.57 0.00 0.00 179.45 180.37 1dgn h HIS 75 N -0.97 0.05 0.08 -1.35 3.86 -1.17 -1.74 115.15 113.92 1dgn h HIS 75 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1dgn h HIS 75 Cb 0.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1dgn h HIS 75 CO 0.13 0.02 -0.04 1.25 0.86 0.00 0.00 177.93 180.15 1dgn h LEU 76 N 0.04 -0.09 -1.80 2.43 5.85 -1.57 -3.05 115.31 117.12 1dgn h LEU 76 Ca 0.34 -0.51 0.35 0.00 0.84 0.00 0.00 57.88 58.90 1dgn h LEU 76 Cb 1.29 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1dgn h LEU 76 CO -0.02 0.54 0.98 0.00 -0.34 0.00 0.00 178.44 179.61 1dgn h GLU 78 N 0.00 0.19 0.07 0.00 5.08 -1.52 -3.33 114.58 115.08 1dgn h GLU 78 Ca 0.57 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1dgn h GLU 78 Cb 2.53 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.90 1dgn h GLU 78 CO -0.01 1.16 -0.03 0.93 -1.00 0.00 0.00 179.01 180.06 1dgn h GLU 79 N -0.60 -0.09 -4.37 2.33 4.39 -0.61 -3.42 114.58 112.21 1dgn h GLU 79 Ca -0.10 0.01 -0.67 0.00 0.34 0.00 0.00 59.36 58.94 1dgn h GLU 79 Cb 1.42 0.02 -0.38 0.00 -0.10 0.00 0.00 28.75 29.71 1dgn h GLU 79 CO 0.09 0.48 -0.63 0.34 -1.16 0.00 0.00 179.01 178.13 1dgn s ASP 80 N -5.72 4.90 0.13 1.42 -1.08 0.12 -4.95 116.67 111.48 1dgn s ASP 80 Ca -0.15 -2.29 0.26 0.00 -0.52 0.00 0.00 52.55 49.86 1dgn s ASP 80 Cb -0.00 -1.71 0.75 0.00 -1.46 0.00 0.00 42.92 40.50 1dgn s ASP 80 CO 0.56 -0.41 1.66 -0.81 0.52 0.00 0.00 175.17 176.69 1dgn n PRO 81 N 4.15 0.20 0.02 4.34 -0.04 -1.25 -2.74 135.00 139.67 1dgn n PRO 81 Ca 0.03 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1dgn n PRO 81 Cb 0.40 -1.69 -0.01 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 -0.10 -0.57 0.54 -0.00 -1.92 -3.23 115.11 109.83 1dgn h GLN 82 Ca 0.00 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1dgn h GLN 82 Cb 0.67 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 28.13 1dgn h GLN 82 CO 0.00 -0.07 0.32 1.25 0.00 0.00 0.00 178.83 180.33 1dgn h LEU 83 N -0.53 0.49 -0.80 -2.39 5.85 -1.99 0.10 115.31 116.04 1dgn h LEU 83 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1dgn h LEU 83 Cb 0.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1dgn h LEU 83 CO 0.02 0.33 0.20 0.00 -0.34 0.00 0.00 178.44 178.65 1dgn n ALA 84 N -2.32 0.74 -0.19 1.25 0.00 -1.11 -1.25 120.51 117.63 1dgn n ALA 84 Ca 0.05 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.75 1dgn n ALA 84 Cb 0.12 -0.89 0.47 0.00 0.00 0.00 0.00 19.45 19.15 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 0.46 0.35 0.00 0.87 -0.98 2.16 113.55 116.41 1dgn h SER 85 Ca 0.00 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.26 1dgn h SER 85 Cb 0.39 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1dgn h SER 85 CO 0.00 0.23 -1.64 0.11 -0.53 0.00 0.00 176.83 175.00 1dgn h LYS 86 N 0.49 0.28 -0.61 2.24 1.57 -1.38 -3.31 116.57 115.85 1dgn h LYS 86 Ca 0.39 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1dgn h LYS 86 Cb 0.83 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1dgn h LYS 86 CO -0.14 1.14 0.00 -1.33 -0.57 0.00 0.00 179.45 178.55 1dgn n MET 87 N -3.47 2.85 -1.86 3.15 2.81 -0.38 -4.32 117.12 115.89 1dgn n MET 87 Ca -0.20 -1.88 -0.34 0.00 -1.81 0.00 0.00 57.70 53.47 1dgn n MET 87 Cb 1.05 -1.70 0.04 0.00 -0.71 0.00 0.00 33.22 31.91 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 0.81 5.84 0.34 3.03 0.00 0.72 -4.83 105.19 111.10 1dgn n GLY 88 Ca 0.17 -2.51 0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.66 0.19 0.00 0.99 7.99 -1.26 -4.98 117.00 119.27 1dgn n LEU 89 Ca 0.53 1.14 0.00 0.00 -0.01 0.00 0.00 56.01 57.66 1dgn n LEU 89 Cb 0.54 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1dgn n LEU 89 CO 0.55 -1.25 0.00 1.57 -1.51 0.00 0.00 177.39 176.75