#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 -0.08 0.00 -4.77 -1.26 -4.98 116.67 104.18 1dgn s ASP 3 Ca 0.00 -1.56 0.13 0.00 -3.30 0.00 0.00 52.55 47.81 1dgn s ASP 3 Cb 0.00 1.83 0.25 0.00 -1.09 0.00 0.00 42.92 43.91 1dgn s ASP 3 CO 0.00 -0.06 1.14 0.00 0.70 0.00 0.00 175.17 176.95 1dgn n GLN 4 N 3.09 0.38 -0.30 2.11 1.13 -1.26 -4.94 117.38 117.59 1dgn n GLN 4 Ca 0.17 -1.61 0.12 0.00 -1.94 0.00 0.00 57.00 53.74 1dgn n GLN 4 Cb 0.57 0.11 0.27 0.00 0.11 0.00 0.00 30.24 31.30 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 0.74 -0.14 0.47 1.08 6.46 -2.00 -1.44 115.31 120.47 1dgn h LEU 5 Ca -0.40 0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1dgn h LEU 5 Cb 1.53 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 41.77 1dgn h LEU 5 CO -0.10 -0.20 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.08 1dgn h LEU 6 N 0.15 -0.96 -0.97 2.25 -0.00 -1.93 0.18 115.31 114.04 1dgn h LEU 6 Ca 0.54 0.07 0.16 0.00 -0.00 0.00 0.00 57.88 58.65 1dgn h LEU 6 Cb 1.09 0.30 -0.16 0.00 -0.00 0.00 0.00 40.66 41.89 1dgn h LEU 6 CO -0.71 -0.52 -0.34 -1.14 -0.00 0.00 0.00 178.44 175.73 1dgn n ARG 7 N -4.63 -0.19 0.01 1.13 0.63 -0.58 0.26 116.66 113.28 1dgn n ARG 7 Ca -0.10 1.49 -0.12 0.00 -0.92 0.00 0.00 57.85 58.20 1dgn n ARG 7 Cb 0.35 -2.22 -0.08 0.00 0.45 0.00 0.00 32.46 30.96 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 0.02 -0.70 -0.14 1.57 -1.31 -2.69 116.57 113.32 1dgn h LYS 8 Ca 0.37 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1dgn h LYS 8 Cb 0.61 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1dgn h LYS 8 CO -0.97 0.28 0.00 1.63 -0.57 0.00 0.00 179.45 179.82 1dgn n LYS 9 N -4.95 1.69 -0.06 3.15 4.76 0.63 -4.02 118.16 119.36 1dgn n LYS 9 Ca -0.08 -0.63 -0.05 0.00 -2.87 0.00 0.00 58.31 54.68 1dgn n LYS 9 Cb 0.15 -1.51 0.15 0.00 -1.84 0.00 0.00 35.03 31.98 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 0.85 0.67 0.00 1.97 2.43 0.39 -0.56 114.38 120.14 1dgn h ARG 10 Ca 0.00 -0.24 -0.17 0.00 -0.81 0.00 0.00 59.98 58.76 1dgn h ARG 10 Cb 0.64 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1dgn h ARG 10 CO 0.07 0.81 -0.81 0.07 -1.51 0.00 0.00 179.97 178.60 1dgn h ARG 11 N 0.60 0.00 0.16 0.20 0.11 -1.79 -2.62 114.38 111.05 1dgn h ARG 11 Ca 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 1dgn h ARG 11 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1dgn h ARG 11 CO 0.04 0.81 -0.08 0.82 0.10 0.00 0.00 179.97 181.67 1dgn h ILE 12 N 0.00 0.36 0.44 0.08 2.04 -1.77 -2.99 117.51 115.67 1dgn h ILE 12 Ca -0.01 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1dgn h ILE 12 Cb 1.50 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1dgn h ILE 12 CO 0.11 0.11 -0.31 0.15 0.00 0.00 0.00 178.15 178.20 1dgn h PHE 13 N -1.01 -0.83 -0.58 1.37 3.57 -1.24 -2.92 116.94 115.30 1dgn h PHE 13 Ca -0.02 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.59 1dgn h PHE 13 Cb 0.34 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 39.28 1dgn h PHE 13 CO 0.05 -0.47 -0.14 0.97 -2.23 0.00 0.00 178.31 176.49 1dgn h ILE 14 N -0.73 0.42 -1.32 1.41 2.10 -1.64 -0.65 117.51 117.10 1dgn h ILE 14 Ca -0.04 -0.00 -0.67 0.00 1.08 0.00 0.00 64.86 65.23 1dgn h ILE 14 Cb 0.62 0.42 -0.17 0.00 -1.09 0.00 0.00 36.82 36.60 1dgn h ILE 14 CO 0.01 0.00 1.42 1.41 -1.08 0.00 0.00 178.15 179.92 1dgn n HIS 15 N -5.40 2.29 0.07 2.19 8.25 -1.11 -4.25 115.22 117.26 1dgn n HIS 15 Ca 0.06 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 1dgn n HIS 15 Cb 0.30 -1.55 0.00 0.00 1.12 0.00 0.00 29.99 29.87 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 1.03 -1.31 -4.69 0.41 7.64 -0.73 -4.87 113.62 111.09 1dgn n SER 16 Ca 0.55 0.36 -0.63 0.00 1.01 0.00 0.00 58.87 60.16 1dgn n SER 16 Cb 0.36 1.47 -0.09 0.00 -1.01 0.00 0.00 64.21 64.93 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 -2.78 0.07 -2.90 0.44 3.14 -0.33 -4.89 118.33 111.08 1dgn n VAL 17 Ca 0.00 -0.01 -0.38 0.00 -2.96 0.00 0.00 64.34 60.99 1dgn n VAL 17 Cb 0.00 -0.60 -0.06 0.00 -1.06 0.00 0.00 33.84 32.12 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 2.45 2.82 0.57 7.55 0.00 -1.26 -4.91 107.32 114.54 1dgn s GLY 18 Ca 1.00 0.41 0.41 0.00 0.00 0.00 0.00 44.72 46.54 1dgn s GLY 18 CO 0.72 0.86 1.44 0.00 0.00 0.00 0.00 173.10 176.13 1dgn n ALA 19 N 0.93 1.54 0.06 3.20 0.00 -1.26 -0.96 120.51 124.01 1dgn n ALA 19 Ca -0.01 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.92 1dgn n ALA 19 Cb 0.50 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.24 -0.69 0.00 0.00 -2.00 -3.32 103.07 96.82 1dgn h GLY 20 Ca 0.76 0.09 0.37 0.00 0.00 0.00 0.00 47.33 48.55 1dgn h GLY 20 CO -0.01 -0.09 0.82 -0.84 0.00 0.00 0.00 176.54 176.43 1dgn h THR 21 N -0.84 0.31 -0.15 4.70 2.02 -1.39 -0.03 112.91 117.52 1dgn h THR 21 Ca -0.02 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1dgn h THR 21 Cb 0.18 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 1dgn h THR 21 CO 0.04 0.03 -0.19 0.40 0.37 0.00 0.00 175.52 176.17 1dgn h ILE 22 N 0.18 0.52 -0.90 3.11 2.04 -1.55 0.64 117.51 121.55 1dgn h ILE 22 Ca 0.70 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.55 1dgn h ILE 22 Cb 2.22 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 1dgn h ILE 22 CO -0.28 0.00 0.50 -1.13 0.00 0.00 0.00 178.15 177.24 1dgn h ASN 23 N -0.23 1.12 0.97 1.72 -1.24 -1.11 -1.45 115.58 115.36 1dgn h ASN 23 Ca 0.11 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 1dgn h ASN 23 Cb 0.38 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1dgn h ASN 23 CO -0.28 0.89 -0.49 0.00 -1.29 0.00 0.00 177.43 176.26 1dgn h ALA 24 N 1.27 0.86 0.28 1.57 0.00 -1.25 -2.90 119.26 119.09 1dgn h ALA 24 Ca 0.32 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dgn h ALA 24 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dgn h ALA 24 CO -0.05 0.62 -0.13 1.25 0.00 0.00 0.00 179.25 180.93 1dgn h LEU 25 N 0.00 -0.32 -1.87 0.00 7.12 0.80 -3.05 115.31 117.99 1dgn h LEU 25 Ca -0.00 -0.03 0.11 0.00 0.13 0.00 0.00 57.88 58.08 1dgn h LEU 25 Cb 1.11 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 1dgn h LEU 25 CO 0.06 0.15 0.32 0.17 -0.13 0.00 0.00 178.44 179.01 1dgn h LEU 26 N -1.08 0.13 -0.14 2.25 8.10 -1.40 -1.53 115.31 121.64 1dgn h LEU 26 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 1dgn h LEU 26 Cb 0.33 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1dgn h LEU 26 CO 0.06 0.08 0.07 -0.78 -4.11 0.00 0.00 178.44 173.76 1dgn h ASP 27 N 0.14 0.17 -0.73 0.17 3.58 -1.58 -2.86 116.42 115.32 1dgn h ASP 27 Ca 0.21 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1dgn h ASP 27 Cb 0.67 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1dgn h ASP 27 CO -0.03 0.22 0.48 0.00 -2.88 0.00 0.00 179.24 177.03 1dgn h LEU 29 N 0.97 0.17 -0.87 0.00 3.38 -1.25 0.17 115.31 117.88 1dgn h LEU 29 Ca 0.27 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1dgn h LEU 29 Cb -0.09 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1dgn h LEU 29 CO -0.07 0.01 0.53 -0.07 0.09 0.00 0.00 178.44 178.93 1dgn h LEU 30 N 0.35 1.03 -0.92 1.67 3.38 -1.29 -1.25 115.31 118.28 1dgn h LEU 30 Ca 0.46 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.61 1dgn h LEU 30 Cb 0.79 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 1dgn h LEU 30 CO -0.49 0.78 0.43 -0.08 0.09 0.00 0.00 178.44 179.17 1dgn h GLU 31 N 1.19 0.39 0.00 1.13 4.81 -0.54 1.19 114.58 122.75 1dgn h GLU 31 Ca 0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1dgn h GLU 31 Cb -0.07 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1dgn h GLU 31 CO -0.06 0.26 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.83 1dgn h ASP 32 N 0.41 0.00 -4.22 1.04 3.32 -1.22 -3.48 116.42 112.26 1dgn h ASP 32 Ca 0.59 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 57.32 1dgn h ASP 32 Cb 1.15 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.79 1dgn h ASP 32 CO -0.54 0.01 -0.48 -0.62 -1.72 0.00 0.00 179.24 175.89 1dgn n GLU 33 N -2.69 -5.22 0.10 3.56 1.02 0.41 -4.94 120.64 112.89 1dgn n GLU 33 Ca 0.04 0.63 -0.23 0.00 -0.02 0.00 0.00 57.16 57.58 1dgn n GLU 33 Cb 0.49 -5.00 -0.14 0.00 -0.02 0.00 0.00 31.44 26.77 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 -1.71 1.29 -3.45 2.62 3.04 -1.77 -3.46 116.25 112.81 1dgn h VAL 34 Ca -0.41 -2.49 -0.50 0.00 -1.01 0.00 0.00 66.70 62.29 1dgn h VAL 34 Cb 1.27 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 1dgn h VAL 34 CO 0.41 0.75 0.00 0.27 -1.01 0.00 0.00 177.57 178.00 1dgn s ILE 35 N -2.90 4.91 0.07 3.17 -4.36 -1.26 -4.99 121.20 115.84 1dgn s ILE 35 Ca -0.10 0.31 -0.08 0.00 -0.26 0.00 0.00 60.65 60.52 1dgn s ILE 35 Cb 0.05 -3.75 -0.06 0.00 1.25 0.00 0.00 42.46 39.96 1dgn s ILE 35 CO 0.93 -0.47 0.37 -0.44 0.24 0.00 0.00 174.94 175.57 1dgn s SER 36 N -3.28 6.58 0.49 4.36 0.01 -1.26 -4.89 113.70 115.72 1dgn s SER 36 Ca 0.47 0.71 0.39 0.00 1.31 0.00 0.00 55.95 58.84 1dgn s SER 36 Cb -0.10 -2.14 1.58 0.00 0.21 0.00 0.00 66.02 65.56 1dgn s SER 36 CO 0.32 0.17 1.60 -0.61 0.41 0.00 0.00 173.24 175.13 1dgn h GLN 37 N 3.62 0.03 -0.38 12.44 -0.00 -1.99 1.69 115.11 130.51 1dgn h GLN 37 Ca -0.49 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.04 1dgn h GLN 37 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 1dgn h GLN 37 CO 0.67 0.02 -0.23 0.93 0.00 0.00 0.00 178.83 180.22 1dgn h GLU 38 N 0.03 0.84 0.00 1.69 4.39 -2.00 -2.86 114.58 116.66 1dgn h GLU 38 Ca 0.87 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 60.18 1dgn h GLU 38 Cb 3.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.75 1dgn h GLU 38 CO -0.24 1.02 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.19 1dgn h ASP 39 N 0.64 -0.00 -1.14 1.42 5.19 0.21 -2.68 116.42 120.06 1dgn h ASP 39 Ca 0.08 -0.34 0.32 0.00 -0.62 0.00 0.00 57.03 56.47 1dgn h ASP 39 Cb 0.80 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.23 1dgn h ASP 39 CO 0.07 0.34 0.77 -0.03 -3.12 0.00 0.00 179.24 177.27 1dgn h MET 40 N -0.34 0.19 -0.24 3.56 4.05 -1.16 1.02 114.93 122.00 1dgn h MET 40 Ca -0.00 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.27 1dgn h MET 40 Cb 0.34 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1dgn h MET 40 CO 0.00 0.13 -0.43 -0.91 0.23 0.00 0.00 176.91 175.93 1dgn h ASN 41 N 0.19 0.64 -0.58 1.39 -0.26 -1.24 -1.57 115.58 114.15 1dgn h ASN 41 Ca 0.60 -0.29 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 1dgn h ASN 41 Cb 1.94 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 38.95 1dgn h ASN 41 CO -0.18 0.98 0.16 0.50 -1.06 0.00 0.00 177.43 177.83 1dgn h LYS 42 N 0.48 0.31 0.12 0.81 3.11 0.13 0.36 116.57 121.89 1dgn h LYS 42 Ca 0.04 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1dgn h LYS 42 Cb 0.94 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1dgn h LYS 42 CO 0.08 0.20 -0.06 0.28 -2.81 0.00 0.00 179.45 177.15 1dgn h VAL 43 N 0.32 0.99 0.00 2.00 2.07 -1.44 -3.13 116.25 117.06 1dgn h VAL 43 Ca 0.30 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1dgn h VAL 43 Cb 0.40 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1dgn h VAL 43 CO -0.34 0.27 0.05 -1.14 0.02 0.00 0.00 177.57 176.42 1dgn n ARG 44 N -4.87 0.03 0.32 1.57 3.00 -0.60 -1.57 116.66 114.53 1dgn n ARG 44 Ca -0.08 0.49 0.21 0.00 -0.00 0.00 0.00 57.85 58.47 1dgn n ARG 44 Cb 0.28 -1.64 1.12 0.00 0.00 0.00 0.00 32.46 32.22 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 -5.77 6.15 3.58 -0.22 -3.47 116.42 116.70 1dgn h ASP 45 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1dgn h ASP 45 Cb 0.10 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1dgn h ASP 45 CO 0.00 0.00 -0.78 -0.62 -2.88 0.00 0.00 179.24 174.96 1dgn n GLU 46 N -2.96 -2.22 0.07 0.28 -0.58 -0.61 -4.97 120.64 109.65 1dgn n GLU 46 Ca -0.03 1.87 -0.04 0.00 -0.42 0.00 0.00 57.16 58.54 1dgn n GLU 46 Cb 0.09 -4.27 -0.02 0.00 -0.57 0.00 0.00 31.44 26.67 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1dgn h ASN 47 N 2.08 -0.21 0.00 1.62 2.35 -1.89 -3.50 115.58 116.02 1dgn h ASN 47 Ca -0.21 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1dgn h ASN 47 Cb 1.14 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1dgn h ASN 47 CO 0.21 0.11 0.00 -0.67 -1.65 0.00 0.00 177.43 175.43 1dgn n ASP 48 N -4.14 4.38 -3.81 5.81 2.03 -1.26 -5.09 116.55 114.47 1dgn n ASP 48 Ca -0.03 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.98 1dgn n ASP 48 Cb 0.10 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 40.78 1dgn n ASP 48 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dgn s THR 49 N -0.06 1.48 0.48 5.18 -4.23 -1.26 -4.57 115.64 112.66 1dgn s THR 49 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1dgn s THR 49 Cb 0.00 -2.01 0.42 0.00 1.34 0.00 0.00 72.50 72.24 1dgn s THR 49 CO 0.00 0.00 1.89 0.58 -0.54 0.00 0.00 174.62 176.55 1dgn h VAL 50 N -3.24 0.65 -0.81 2.29 2.07 -1.98 -1.03 116.25 114.20 1dgn h VAL 50 Ca -0.51 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1dgn h VAL 50 Cb 1.34 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1dgn h VAL 50 CO 0.36 0.04 0.34 0.24 0.02 0.00 0.00 177.57 178.57 1dgn h MET 51 N 0.21 0.44 0.18 1.57 2.86 -1.88 0.25 114.93 118.55 1dgn h MET 51 Ca 0.41 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.79 1dgn h MET 51 Cb 1.31 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.89 1dgn h MET 51 CO -0.09 0.29 -1.08 0.22 1.06 0.00 0.00 176.91 177.31 1dgn h ASP 52 N 0.45 0.58 -0.69 1.22 1.82 -1.49 -2.50 116.42 115.81 1dgn h ASP 52 Ca 0.46 -0.94 0.04 0.00 -0.39 0.00 0.00 57.03 56.20 1dgn h ASP 52 Cb 0.76 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.54 1dgn h ASP 52 CO -0.44 1.52 0.45 0.11 -1.61 0.00 0.00 179.24 179.27 1dgn h LYS 53 N -0.20 0.79 0.12 0.28 1.57 -1.08 -2.21 116.57 115.84 1dgn h LYS 53 Ca -0.19 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.37 1dgn h LYS 53 Cb 1.82 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.97 1dgn h LYS 53 CO 0.18 0.52 -0.73 0.00 -0.57 0.00 0.00 179.45 178.86 1dgn h ALA 54 N 1.60 -0.07 -0.81 3.86 0.00 -0.64 -2.17 119.26 121.03 1dgn h ALA 54 Ca 0.28 -0.67 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1dgn h ALA 54 Cb 0.09 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1dgn h ALA 54 CO -0.08 0.34 0.35 -0.09 0.00 0.00 0.00 179.25 179.77 1dgn h ARG 55 N -0.40 0.47 0.05 0.00 2.43 -1.19 0.78 114.38 116.50 1dgn h ARG 55 Ca -0.12 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 1dgn h ARG 55 Cb 1.56 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1dgn h ARG 55 CO 0.14 0.31 -0.44 -0.39 -1.51 0.00 0.00 179.97 178.07 1dgn h VAL 56 N 0.48 1.57 -0.21 0.20 -1.51 -1.51 -2.82 116.25 112.46 1dgn h VAL 56 Ca 0.46 -2.26 0.06 0.00 -1.23 0.00 0.00 66.70 63.72 1dgn h VAL 56 Cb 0.72 3.03 -0.06 0.00 -2.13 0.00 0.00 31.29 32.86 1dgn h VAL 56 CO -0.42 0.62 -0.19 0.25 -1.23 0.00 0.00 177.57 176.60 1dgn h LEU 57 N -0.51 -0.61 -1.32 4.19 5.85 -0.87 0.15 115.31 122.19 1dgn h LEU 57 Ca -0.07 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1dgn h LEU 57 Cb 1.27 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1dgn h LEU 57 CO 0.08 -0.23 -0.17 -0.29 -0.34 0.00 0.00 178.44 177.49 1dgn h ILE 58 N -0.20 1.20 0.10 4.05 2.10 -0.99 -3.04 117.51 120.73 1dgn h ILE 58 Ca 0.13 -0.90 -0.00 0.00 1.08 0.00 0.00 64.86 65.16 1dgn h ILE 58 Cb 0.39 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1dgn h ILE 58 CO -0.33 0.28 -0.05 -0.78 -1.08 0.00 0.00 178.15 176.19 1dgn h ASP 59 N 0.23 -0.11 -0.50 2.19 1.82 -0.94 -3.09 116.42 116.01 1dgn h ASP 59 Ca 0.04 -0.34 0.10 0.00 -0.39 0.00 0.00 57.03 56.44 1dgn h ASP 59 Cb 0.44 0.03 -0.09 0.00 0.68 0.00 0.00 39.33 40.39 1dgn h ASP 59 CO 0.03 0.30 -0.11 -0.07 -1.61 0.00 0.00 179.24 177.78 1dgn h LEU 60 N -0.54 -0.43 -0.04 2.28 3.38 -0.70 -0.76 115.31 118.49 1dgn h LEU 60 Ca -0.01 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1dgn h LEU 60 Cb 0.45 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1dgn h LEU 60 CO 0.02 -0.15 -0.50 0.58 0.09 0.00 0.00 178.44 178.47 1dgn h VAL 61 N 0.01 0.04 -0.26 1.22 2.07 -1.57 0.59 116.25 118.36 1dgn h VAL 61 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1dgn h VAL 61 Cb 0.37 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1dgn h VAL 61 CO -0.51 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.04 1dgn h THR 62 N -0.62 0.69 -0.70 2.57 2.02 -1.34 -1.39 112.91 114.14 1dgn h THR 62 Ca 0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1dgn h THR 62 Cb 0.70 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1dgn h THR 62 CO -0.37 0.00 0.16 1.23 0.37 0.00 0.00 175.52 176.90 1dgn h GLY 63 N 0.00 1.21 -1.89 2.16 0.00 0.58 -2.55 103.07 102.59 1dgn h GLY 63 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1dgn h GLY 63 CO -0.00 0.72 0.00 0.28 0.00 0.00 0.00 176.54 177.54 1dgn n LYS 64 N -4.23 0.86 -0.09 4.80 4.76 -0.52 -4.94 118.16 118.80 1dgn n LYS 64 Ca 0.05 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.50 1dgn n LYS 64 Cb 0.27 -1.11 -0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 -1.92 0.02 0.72 0.00 -0.96 -4.36 105.19 99.20 1dgn n GLY 65 Ca 0.00 -1.48 0.11 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 -2.47 0.04 0.23 1.61 -0.04 -1.26 -3.18 135.00 129.92 1dgn n PRO 66 Ca -0.00 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1dgn n PRO 66 Cb 0.04 -1.56 0.69 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.05 0.54 3.11 -1.94 -1.47 116.57 116.86 1dgn h LYS 67 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1dgn h LYS 67 Cb 0.41 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.64 1dgn h LYS 67 CO 0.00 0.00 -1.06 1.03 -2.81 0.00 0.00 179.45 176.61 1dgn h SER 68 N 0.00 0.57 -0.89 4.20 0.87 -1.74 -3.31 113.55 113.24 1dgn h SER 68 Ca 0.04 -0.50 0.24 0.00 -1.23 0.00 0.00 61.79 60.34 1dgn h SER 68 Cb 0.15 -0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 61.78 1dgn h SER 68 CO -0.00 1.32 0.18 0.00 -0.53 0.00 0.00 176.83 177.80 1dgn h LYS 71 N -0.48 0.00 0.08 0.00 1.57 -1.27 -2.81 116.57 113.65 1dgn h LYS 71 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dgn h LYS 71 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1dgn h LYS 71 CO -0.19 0.00 -0.04 0.35 -0.57 0.00 0.00 179.45 179.00 1dgn h PHE 72 N 0.00 -0.09 -0.67 -1.35 3.04 0.34 -2.50 116.94 115.70 1dgn h PHE 72 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1dgn h PHE 72 Cb 0.44 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 1dgn h PHE 72 CO 0.00 0.46 0.36 0.82 -2.02 0.00 0.00 178.31 177.94 1dgn h ILE 73 N -0.87 1.20 -0.08 1.41 2.04 -1.05 -0.05 117.51 120.11 1dgn h ILE 73 Ca -0.01 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1dgn h ILE 73 Cb 0.60 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1dgn h ILE 73 CO 0.02 0.23 -0.02 0.11 0.00 0.00 0.00 178.15 178.49 1dgn h LYS 74 N 0.93 0.15 -0.22 2.37 1.57 -1.60 -2.31 116.57 117.47 1dgn h LYS 74 Ca 0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1dgn h LYS 74 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1dgn h LYS 74 CO -0.04 0.47 0.06 0.45 -0.57 0.00 0.00 179.45 179.81 1dgn h HIS 75 N -0.18 0.37 -0.54 -1.35 3.86 -1.25 -2.81 115.15 113.25 1dgn h HIS 75 Ca 0.02 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1dgn h HIS 75 Cb 0.41 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1dgn h HIS 75 CO 0.05 0.45 0.36 1.25 0.86 0.00 0.00 177.93 180.91 1dgn h LEU 76 N 0.18 0.40 0.24 2.43 5.85 -1.04 -1.62 115.31 121.74 1dgn h LEU 76 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1dgn h LEU 76 Cb 0.27 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1dgn h LEU 76 CO 0.00 0.25 -0.11 0.00 -0.34 0.00 0.00 178.44 178.24 1dgn h GLU 78 N -0.40 0.00 0.01 0.00 4.11 -1.38 -2.98 114.58 113.94 1dgn h GLU 78 Ca -0.03 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.10 1dgn h GLU 78 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1dgn h GLU 78 CO 0.05 0.00 -1.77 0.39 0.07 0.00 0.00 179.01 177.75 1dgn n GLU 79 N -2.81 0.64 -3.34 1.06 -0.58 -0.64 -4.82 120.64 110.14 1dgn n GLU 79 Ca 0.01 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1dgn n GLU 79 Cb 0.30 -1.77 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 1dgn n GLU 79 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1dgn s ASP 80 N -6.12 0.89 0.18 1.62 -1.08 0.20 -4.89 116.67 107.47 1dgn s ASP 80 Ca -0.06 -0.62 0.26 0.00 -0.52 0.00 0.00 52.55 51.61 1dgn s ASP 80 Cb 0.08 0.86 0.67 0.00 -1.46 0.00 0.00 42.92 43.07 1dgn s ASP 80 CO 0.82 -0.36 1.64 -0.81 0.52 0.00 0.00 175.17 176.99 1dgn n PRO 81 N 5.24 0.27 0.14 4.34 -0.04 -1.16 -2.37 135.00 141.42 1dgn n PRO 81 Ca 0.01 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1dgn n PRO 81 Cb 0.48 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.09 0.54 4.15 -1.94 -2.90 115.11 114.46 1dgn h GLN 82 Ca 0.00 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1dgn h GLN 82 Cb 0.74 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.52 1dgn h GLN 82 CO 0.00 -0.27 0.01 1.25 -1.93 0.00 0.00 178.83 177.88 1dgn h LEU 83 N -0.88 0.15 -0.95 -2.39 5.85 -1.96 -2.32 115.31 112.81 1dgn h LEU 83 Ca -0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1dgn h LEU 83 Cb 0.32 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1dgn h LEU 83 CO 0.07 0.40 0.26 0.00 -0.34 0.00 0.00 178.44 178.84 1dgn n ALA 84 N -2.27 0.68 -0.21 1.25 0.00 -1.00 -0.82 120.51 118.14 1dgn n ALA 84 Ca -0.06 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1dgn n ALA 84 Cb 0.18 -0.85 0.46 0.00 0.00 0.00 0.00 19.45 19.24 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 0.48 0.37 0.00 0.87 -1.19 2.20 113.55 116.28 1dgn h SER 85 Ca 0.00 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.27 1dgn h SER 85 Cb 0.53 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1dgn h SER 85 CO 0.00 0.25 -1.68 0.11 -0.53 0.00 0.00 176.83 174.97 1dgn h LYS 86 N 0.51 0.22 -0.68 2.24 6.56 -1.18 -3.32 116.57 120.93 1dgn h LYS 86 Ca 0.40 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1dgn h LYS 86 Cb 0.82 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 1dgn h LYS 86 CO -0.15 1.04 0.00 -1.33 -2.06 0.00 0.00 179.45 176.95 1dgn n MET 87 N -3.40 3.27 -2.17 3.15 2.81 -0.29 -4.35 117.12 116.14 1dgn n MET 87 Ca -0.21 -2.00 -0.32 0.00 -1.81 0.00 0.00 57.70 53.37 1dgn n MET 87 Cb 1.05 -1.88 0.02 0.00 -0.71 0.00 0.00 33.22 31.70 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 0.59 5.88 0.34 3.03 0.00 0.73 -4.86 105.19 110.89 1dgn n GLY 88 Ca 0.18 -2.63 0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.56 0.13 0.00 0.99 7.99 -1.26 -4.97 117.00 119.32 1dgn n LEU 89 Ca 0.46 0.92 0.14 0.00 -0.01 0.00 0.00 56.01 57.52 1dgn n LEU 89 Cb 0.55 -0.45 0.85 0.00 -0.11 0.00 0.00 43.42 44.26 1dgn n LEU 89 CO 0.43 -0.99 1.02 0.00 -1.51 0.00 0.00 177.39 176.34