#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g80 n ALA 7 N 0.00 2.64 -0.09 0.00 0.00 -1.24 -3.52 120.51 118.31 3g80 n ALA 7 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 3g80 n ALA 7 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 3g80 n ALA 7 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3g80 h TYR 8 N 0.00 1.03 -0.02 0.00 3.20 -1.93 -1.75 116.97 117.50 3g80 h TYR 8 Ca -0.01 -0.33 -0.26 0.00 3.14 0.00 0.00 58.73 61.28 3g80 h TYR 8 Cb 1.02 -0.21 0.02 0.00 1.54 0.00 0.00 36.73 39.10 3g80 h TYR 8 CO 0.00 1.13 -1.01 1.05 -1.64 0.00 0.00 178.16 177.69 3g80 h GLU 9 N 0.68 0.72 -0.97 1.82 4.11 -1.90 -0.56 114.58 118.48 3g80 h GLU 9 Ca 0.04 -0.75 0.03 0.00 0.07 0.00 0.00 59.36 58.76 3g80 h GLU 9 Cb 1.02 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 3g80 h GLU 9 CO 0.10 1.32 0.64 1.25 0.07 0.00 0.00 179.01 182.39 3g80 h LEU 10 N 0.42 1.07 0.15 3.06 5.85 -1.59 0.24 115.31 124.51 3g80 h LEU 10 Ca -0.12 -0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.28 3g80 h LEU 10 Cb 1.66 -0.25 0.03 0.00 0.37 0.00 0.00 40.66 42.47 3g80 h LEU 10 CO 0.20 0.74 -1.31 0.40 -0.34 0.00 0.00 178.44 178.13 3g80 h ILE 11 N 1.24 1.30 -0.22 4.05 2.04 -1.32 -3.24 117.51 121.37 3g80 h ILE 11 Ca 0.38 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 3g80 h ILE 11 Cb -0.02 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3g80 h ILE 11 CO -0.11 0.78 0.03 0.50 0.00 0.00 0.00 178.15 179.35 3g80 h LYS 12 N 0.22 0.31 0.00 2.37 3.64 -0.62 -2.63 116.57 119.86 3g80 h LYS 12 Ca -0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3g80 h LYS 12 Cb 1.99 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 3g80 h LYS 12 CO 0.25 0.31 -0.21 -1.13 -2.27 0.00 0.00 179.45 176.40 3g80 n SER 13 N -4.39 0.36 0.02 4.20 3.41 0.03 -4.42 113.62 112.84 3g80 n SER 13 Ca 0.00 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.74 3g80 n SER 13 Cb 0.17 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3g80 n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3g80 h LEU 14 N 0.00 -1.48 -1.31 1.04 3.38 -1.49 -2.15 115.31 113.30 3g80 h LEU 14 Ca 0.00 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.36 3g80 h LEU 14 Cb 0.57 0.57 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3g80 h LEU 14 CO 0.00 -0.44 0.63 1.55 0.09 0.00 0.00 178.44 180.27 3g80 h PRO 15 N -0.55 0.49 -0.17 1.13 0.13 -1.80 -0.11 132.00 131.13 3g80 h PRO 15 Ca 0.02 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 3g80 h PRO 15 Cb 0.61 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3g80 h PRO 15 CO -0.35 0.33 -0.41 0.00 -0.23 0.00 0.00 178.00 177.34 3g80 h ALA 16 N 1.62 0.97 -0.48 -0.56 0.00 -1.72 -1.33 119.26 117.76 3g80 h ALA 16 Ca 0.55 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3g80 h ALA 16 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3g80 h ALA 16 CO -0.28 0.62 -0.20 0.87 0.00 0.00 0.00 179.25 180.26 3g80 h LYS 17 N 0.33 0.99 -0.07 0.00 1.57 -0.42 -1.75 116.57 117.22 3g80 h LYS 17 Ca 0.03 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 3g80 h LYS 17 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3g80 h LYS 17 CO 0.07 1.10 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.56 3g80 h LEU 18 N 0.85 0.15 -0.78 2.94 3.38 -1.16 -2.20 115.31 118.49 3g80 h LEU 18 Ca 0.11 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3g80 h LEU 18 Cb 0.78 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3g80 h LEU 18 CO 0.07 0.56 -0.53 -0.08 0.09 0.00 0.00 178.44 178.55 3g80 h GLU 19 N 0.12 0.22 -0.60 1.13 4.81 -0.94 -1.67 114.58 117.66 3g80 h GLU 19 Ca 0.01 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3g80 h GLU 19 Cb 0.80 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 3g80 h GLU 19 CO 0.06 0.70 0.13 1.96 -0.73 0.00 0.00 179.01 181.12 3g80 h GLN 20 N 0.18 0.97 -0.58 1.92 4.20 -0.80 -0.86 115.11 120.14 3g80 h GLN 20 Ca 0.00 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3g80 h GLN 20 Cb 0.99 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 3g80 h GLN 20 CO 0.08 0.90 0.22 -0.07 -0.67 0.00 0.00 178.83 179.30 3g80 h LEU 21 N 0.88 0.81 0.57 1.46 3.38 -1.16 -0.59 115.31 120.65 3g80 h LEU 21 Ca 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3g80 h LEU 21 Cb 0.38 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3g80 h LEU 21 CO 0.01 0.77 -0.27 0.00 0.09 0.00 0.00 178.44 179.03 3g80 h ALA 22 N 1.08 -0.76 -0.34 1.53 0.00 -1.01 -2.15 119.26 117.61 3g80 h ALA 22 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3g80 h ALA 22 Cb 0.21 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3g80 h ALA 22 CO -0.01 -0.92 -0.08 1.96 0.00 0.00 0.00 179.25 180.19 3g80 h GLN 23 N -0.77 -0.00 -0.44 0.00 4.20 -1.03 0.00 115.11 117.08 3g80 h GLN 23 Ca -0.08 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.66 3g80 h GLN 23 Cb 0.59 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3g80 h GLN 23 CO 0.13 -0.00 0.23 0.93 -0.67 0.00 0.00 178.83 179.45 3g80 h GLU 24 N -0.00 0.45 -0.01 1.46 5.08 -1.07 -0.50 114.58 119.98 3g80 h GLU 24 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3g80 h GLU 24 Cb 0.25 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3g80 h GLU 24 CO -0.35 0.30 0.00 1.15 -1.00 0.00 0.00 179.01 179.11 3g80 h THR 25 N 0.46 1.19 -0.48 1.13 2.02 -0.93 -1.52 112.91 114.79 3g80 h THR 25 Ca 0.18 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3g80 h THR 25 Cb 0.07 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3g80 h THR 25 CO -0.12 0.15 0.32 1.56 0.37 0.00 0.00 175.52 177.80 3g80 h GLN 26 N -0.21 0.54 0.18 6.66 4.20 -0.88 -1.36 115.11 124.24 3g80 h GLN 26 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3g80 h GLN 26 Cb 0.24 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3g80 h GLN 26 CO 0.00 0.36 -0.09 0.00 -0.67 0.00 0.00 178.83 178.43 3g80 h ALA 27 N 1.72 -0.24 0.00 3.87 0.00 -0.90 -2.68 119.26 121.03 3g80 h ALA 27 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3g80 h ALA 27 Cb 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3g80 h ALA 27 CO -0.05 -0.35 -0.12 1.79 0.00 0.00 0.00 179.25 180.52 3g80 h THR 28 N -0.81 0.68 -0.21 0.00 1.35 -1.13 -1.68 112.91 111.11 3g80 h THR 28 Ca -0.02 -0.50 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 3g80 h THR 28 Cb 0.52 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3g80 h THR 28 CO 0.04 0.12 -0.01 0.40 -0.25 0.00 0.00 175.52 175.82 3g80 h ILE 29 N 0.00 1.26 0.00 6.82 2.04 -1.27 -2.77 117.51 123.59 3g80 h ILE 29 Ca -0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3g80 h ILE 29 Cb 0.30 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3g80 h ILE 29 CO 0.02 0.28 0.00 1.56 0.00 0.00 0.00 178.15 180.01 3g80 h GLN 30 N 0.13 0.00 0.00 2.37 4.20 -0.96 0.28 115.11 121.14 3g80 h GLN 30 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3g80 h GLN 30 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3g80 h GLN 30 CO 0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.42 3g80 n THR 31 N -2.64 0.14 -3.57 -0.54 -2.24 -0.89 -4.50 114.28 100.05 3g80 n THR 31 Ca -0.00 0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 3g80 n THR 31 Cb 0.18 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 3g80 n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g80 s LEU 32 N -2.58 4.28 -1.06 3.22 1.43 0.09 -5.01 118.68 119.04 3g80 s LEU 32 Ca 0.25 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 3g80 s LEU 32 Cb 0.18 -2.12 0.16 0.00 0.03 0.00 0.00 46.19 44.44 3g80 s LEU 32 CO 0.41 -0.16 1.26 -0.04 0.23 0.00 0.00 176.35 178.05 3g80 s MET 33 N 1.73 3.85 0.11 1.70 -1.94 -1.26 -4.99 119.30 118.49 3g80 s MET 33 Ca 0.06 -2.21 -0.21 0.00 -1.71 0.00 0.00 55.69 51.62 3g80 s MET 33 Cb -0.17 -4.97 -0.07 0.00 2.01 0.00 0.00 34.83 31.63 3g80 s MET 33 CO 0.10 -1.75 0.64 0.42 -0.01 0.00 0.00 175.02 174.43 3g80 s ILE 34 N 2.00 4.61 -0.25 2.53 1.01 -1.26 -5.01 121.20 124.83 3g80 s ILE 34 Ca 0.37 1.37 -0.08 0.00 0.00 0.00 0.00 60.65 62.31 3g80 s ILE 34 Cb -0.04 -3.98 -0.16 0.00 0.01 0.00 0.00 42.46 38.29 3g80 s ILE 34 CO -0.05 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.24 3g80 n ALA 35 N 1.65 1.22 -1.50 9.38 0.00 -1.26 -4.89 120.51 125.10 3g80 n ALA 35 Ca -0.09 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 51.93 3g80 n ALA 35 Cb 0.50 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 3g80 n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g80 n ASP 36 N -3.82 1.75 0.24 0.00 -0.08 -1.26 -4.77 116.55 108.60 3g80 n ASP 36 Ca -0.47 -0.02 0.18 0.00 -1.51 0.00 0.00 54.79 52.97 3g80 n ASP 36 Cb 0.92 -1.31 0.87 0.00 2.34 0.00 0.00 41.12 43.95 3g80 n ASP 36 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3g80 h PRO 37 N 15.20 0.00 -0.07 -0.67 0.13 -1.98 -1.20 132.00 143.40 3g80 h PRO 37 Ca -0.20 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.71 3g80 h PRO 37 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 3g80 h PRO 37 CO 1.17 0.00 -0.79 -0.91 -0.23 0.00 0.00 178.00 177.24 3g80 h ASN 38 N 0.00 0.82 -0.46 1.44 2.35 -2.00 -1.97 115.58 115.76 3g80 h ASN 38 Ca 0.07 -0.69 -0.12 0.00 -0.55 0.00 0.00 56.30 55.01 3g80 h ASN 38 Cb 0.53 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3g80 h ASN 38 CO -0.00 1.39 -0.18 0.58 -1.65 0.00 0.00 177.43 177.57 3g80 h VAL 39 N 0.32 1.27 0.00 2.81 2.07 -1.63 -2.30 116.25 118.79 3g80 h VAL 39 Ca -0.08 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3g80 h VAL 39 Cb 1.44 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3g80 h VAL 39 CO 0.16 0.46 -0.16 0.78 0.02 0.00 0.00 177.57 178.83 3g80 h ASN 40 N 0.78 0.00 0.02 0.57 2.35 -1.35 -0.24 115.58 117.71 3g80 h ASN 40 Ca 0.11 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.59 3g80 h ASN 40 Cb 0.75 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.14 3g80 h ASN 40 CO 0.06 0.16 -1.07 0.50 -1.65 0.00 0.00 177.43 175.42 3g80 h LYS 41 N 0.00 0.69 -0.15 0.81 3.64 -1.05 -2.43 116.57 118.08 3g80 h LYS 41 Ca -0.00 -0.77 -0.01 0.00 -1.27 0.00 0.00 60.65 58.60 3g80 h LYS 41 Cb 0.44 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3g80 h LYS 41 CO 0.02 1.34 0.07 -0.44 -2.27 0.00 0.00 179.45 178.16 3g80 h ASP 42 N 0.37 0.20 -0.34 4.20 3.32 -0.79 -1.76 116.42 121.62 3g80 h ASP 42 Ca -0.14 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3g80 h ASP 42 Cb 1.73 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 3g80 h ASP 42 CO 0.21 0.29 0.06 -0.07 -1.72 0.00 0.00 179.24 178.01 3g80 h LEU 43 N 0.10 0.61 -1.02 1.55 3.38 -1.14 -1.80 115.31 116.99 3g80 h LEU 43 Ca 0.05 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3g80 h LEU 43 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3g80 h LEU 43 CO -0.01 0.64 -0.43 -0.09 0.09 0.00 0.00 178.44 178.65 3g80 h ARG 44 N 0.63 0.13 0.00 1.13 2.43 -1.26 -0.95 114.38 116.49 3g80 h ARG 44 Ca 0.14 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 3g80 h ARG 44 Cb 0.31 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3g80 h ARG 44 CO 0.00 0.54 -0.53 0.00 -1.51 0.00 0.00 179.97 178.47 3g80 h ALA 45 N 1.46 1.02 0.09 2.80 0.00 -0.66 -1.58 119.26 122.39 3g80 h ALA 45 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 3g80 h ALA 45 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3g80 h ALA 45 CO 0.06 0.66 -1.16 0.35 0.00 0.00 0.00 179.25 179.17 3g80 h PHE 46 N 0.00 0.55 -0.22 0.00 3.57 -0.71 -2.25 116.94 117.89 3g80 h PHE 46 Ca -0.01 -0.37 -0.15 0.00 3.53 0.00 0.00 57.97 60.98 3g80 h PHE 46 Cb 1.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3g80 h PHE 46 CO 0.00 1.25 -0.47 0.00 -2.23 0.00 0.00 178.31 176.86 3g80 h GLU 48 N 0.45 0.18 -0.91 0.00 5.08 -1.30 -1.10 114.58 116.98 3g80 h GLU 48 Ca 0.03 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3g80 h GLU 48 Cb 0.99 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 3g80 h GLU 48 CO 0.09 0.21 0.59 0.35 -1.00 0.00 0.00 179.01 179.24 3g80 h PHE 49 N 0.11 1.01 -0.10 4.33 3.57 -1.14 0.11 116.94 124.83 3g80 h PHE 49 Ca 0.05 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 3g80 h PHE 49 Cb 0.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3g80 h PHE 49 CO -0.04 0.47 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.96 3g80 h LEU 50 N 0.94 0.29 0.02 0.59 3.38 -0.50 -0.63 115.31 119.39 3g80 h LEU 50 Ca 0.42 -0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.99 3g80 h LEU 50 Cb 0.36 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3g80 h LEU 50 CO -0.18 0.73 -1.14 0.71 0.09 0.00 0.00 178.44 178.65 3g80 h THR 51 N 0.21 1.44 -0.02 0.22 1.35 -0.13 -2.88 112.91 113.10 3g80 h THR 51 Ca 0.01 -2.79 -0.08 0.00 -0.55 0.00 0.00 66.41 63.00 3g80 h THR 51 Cb 0.94 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 70.09 3g80 h THR 51 CO 0.08 0.82 -0.37 0.58 -0.25 0.00 0.00 175.52 176.38 3g80 h VAL 52 N 0.14 1.27 -0.28 6.82 2.07 -0.98 -2.61 116.25 122.68 3g80 h VAL 52 Ca -0.12 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 3g80 h VAL 52 Cb 1.83 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 3g80 h VAL 52 CO 0.19 0.37 0.12 -0.61 0.02 0.00 0.00 177.57 177.67 3g80 h GLN 53 N 0.04 0.42 0.00 1.57 4.15 -0.96 -2.07 115.11 118.25 3g80 h GLN 53 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3g80 h GLN 53 Cb 0.67 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3g80 h GLN 53 CO 0.05 0.42 0.00 1.12 -1.93 0.00 0.00 178.83 178.49 3g80 h HIS 54 N 0.32 0.00 0.00 3.99 2.07 -1.34 -2.93 115.15 117.25 3g80 h HIS 54 Ca 0.10 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.45 3g80 h HIS 54 Cb 0.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.11 3g80 h HIS 54 CO -0.01 0.00 -0.78 1.96 -3.07 0.00 0.00 177.93 176.03 3g80 h GLN 55 N 0.00 0.00 -0.20 5.12 4.20 -1.20 -0.49 115.11 122.54 3g80 h GLN 55 Ca 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3g80 h GLN 55 Cb 0.76 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.55 3g80 h GLN 55 CO 0.00 0.78 -0.70 0.00 -0.67 0.00 0.00 178.83 178.24 3g80 h ARG 56 N 0.00 0.82 -0.54 1.46 3.08 -1.25 -1.67 114.38 116.28 3g80 h ARG 56 Ca -0.01 -0.61 -0.10 0.00 0.07 0.00 0.00 59.98 59.33 3g80 h ARG 56 Cb 1.42 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 3g80 h ARG 56 CO 0.10 1.23 -0.05 0.00 -1.07 0.00 0.00 179.97 180.18 3g80 h ALA 57 N 0.61 0.74 0.02 0.04 0.00 -1.47 -0.57 119.26 118.63 3g80 h ALA 57 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3g80 h ALA 57 Cb 1.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3g80 h ALA 57 CO 0.15 0.61 -0.19 -0.92 0.00 0.00 0.00 179.25 178.89 3g80 h TYR 58 N 0.87 -0.51 -0.57 0.00 3.20 -1.00 0.92 116.97 119.88 3g80 h TYR 58 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3g80 h TYR 58 Cb 0.60 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 3g80 h TYR 58 CO 0.04 -0.28 0.21 0.00 -1.64 0.00 0.00 178.16 176.50 3g80 h ARG 59 N -0.32 0.87 0.25 1.82 3.08 -1.10 -2.40 114.38 116.58 3g80 h ARG 59 Ca 0.05 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3g80 h ARG 59 Cb 0.39 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3g80 h ARG 59 CO -0.17 0.76 -0.12 0.00 -1.07 0.00 0.00 179.97 179.37 3g80 h ALA 60 N 1.07 -0.34 -0.29 0.04 0.00 -0.81 -0.85 119.26 118.07 3g80 h ALA 60 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3g80 h ALA 60 Cb 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3g80 h ALA 60 CO -0.01 -0.66 0.15 1.79 0.00 0.00 0.00 179.25 180.52 3g80 h THR 61 N -0.41 1.14 -0.29 0.00 1.35 -0.82 -2.03 112.91 111.85 3g80 h THR 61 Ca -0.03 -0.40 -0.06 0.00 -0.55 0.00 0.00 66.41 65.36 3g80 h THR 61 Cb 0.31 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3g80 h THR 61 CO 0.06 0.15 -0.09 0.78 -0.25 0.00 0.00 175.52 176.16 3g80 h ASN 62 N 0.34 0.46 0.15 5.36 2.35 -1.44 0.16 115.58 122.96 3g80 h ASN 62 Ca 0.10 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3g80 h ASN 62 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3g80 h ASN 62 CO -0.01 0.60 -0.30 0.28 -1.65 0.00 0.00 177.43 176.34 3g80 h SER 63 N 0.45 0.25 0.03 5.81 0.02 -0.92 -2.51 113.55 116.68 3g80 h SER 63 Ca 0.09 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g80 h SER 63 Cb 0.44 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3g80 h SER 63 CO 0.02 0.55 -0.01 0.25 -1.14 0.00 0.00 176.83 176.50 3g80 h LEU 64 N 0.22 -0.03 -1.03 5.07 5.85 -0.71 -3.36 115.31 121.32 3g80 h LEU 64 Ca 0.03 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.16 3g80 h LEU 64 Cb 0.65 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3g80 h LEU 64 CO 0.05 0.73 0.00 0.18 -0.34 0.00 0.00 178.44 179.06 3g80 n LEU 65 N -4.72 0.55 0.11 2.25 4.77 0.49 -1.90 117.00 118.54 3g80 n LEU 65 Ca -0.07 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3g80 n LEU 65 Cb 0.30 -0.71 0.37 0.00 -2.33 0.00 0.00 43.42 41.05 3g80 n LEU 65 CO 0.23 -0.76 0.83 -0.29 -1.33 0.00 0.00 177.39 176.08 3g80 h ILE 66 N 0.00 0.00 -3.07 -0.08 2.10 -1.59 -3.41 117.51 111.46 3g80 h ILE 66 Ca 0.00 -0.51 -0.58 0.00 1.08 0.00 0.00 64.86 64.85 3g80 h ILE 66 Cb 0.14 1.47 -0.06 0.00 -1.09 0.00 0.00 36.82 37.28 3g80 h ILE 66 CO 0.00 0.00 0.80 -0.54 -1.08 0.00 0.00 178.15 177.33 3g80 s LYS 67 N -3.11 4.26 0.18 2.19 1.02 -0.80 -4.94 119.74 118.54 3g80 s LYS 67 Ca 0.10 1.39 -0.13 0.00 0.02 0.00 0.00 55.97 57.35 3g80 s LYS 67 Cb 0.12 -3.65 0.18 0.00 -0.52 0.00 0.00 37.83 33.96 3g80 s LYS 67 CO 0.61 -0.63 1.73 -1.00 -0.92 0.00 0.00 175.35 175.14 3g80 h PRO 68 N 7.51 0.26 -0.98 -1.68 0.13 -1.88 -1.02 132.00 134.34 3g80 h PRO 68 Ca -0.20 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.97 3g80 h PRO 68 Cb 1.07 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.07 3g80 h PRO 68 CO 0.98 0.17 0.63 0.00 -0.23 0.00 0.00 178.00 179.55 3g80 h ARG 69 N 0.27 1.13 -0.16 0.86 3.08 -1.96 -1.06 114.38 116.53 3g80 h ARG 69 Ca 0.24 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3g80 h ARG 69 Cb 0.30 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3g80 h ARG 69 CO -0.29 0.75 -0.15 0.28 -1.07 0.00 0.00 179.97 179.49 3g80 h VAL 70 N 1.16 1.34 -0.27 2.04 2.07 -1.73 -2.33 116.25 118.54 3g80 h VAL 70 Ca 0.41 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3g80 h VAL 70 Cb 0.12 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3g80 h VAL 70 CO -0.16 0.38 0.11 0.00 0.02 0.00 0.00 177.57 177.92 3g80 h ALA 71 N 0.63 0.35 -0.93 1.67 0.00 -0.99 -1.13 119.26 118.86 3g80 h ALA 71 Ca 0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3g80 h ALA 71 Cb 0.67 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3g80 h ALA 71 CO 0.04 -0.07 0.61 0.00 0.00 0.00 0.00 179.25 179.83 3g80 h ALA 72 N 0.96 1.43 -0.28 0.00 0.00 -1.24 -1.63 119.26 118.50 3g80 h ALA 72 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3g80 h ALA 72 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g80 h ALA 72 CO -0.01 0.47 -0.22 0.00 0.00 0.00 0.00 179.25 179.49 3g80 h ALA 73 N 1.47 0.41 0.00 0.00 0.00 -1.09 -1.58 119.26 118.46 3g80 h ALA 73 Ca 0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g80 h ALA 73 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3g80 h ALA 73 CO -0.12 0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 179.40 3g80 h LEU 74 N 0.39 0.00 0.00 0.00 3.38 -0.86 -3.39 115.31 114.83 3g80 h LEU 74 Ca 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 3g80 h LEU 74 Cb 0.76 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.57 3g80 h LEU 74 CO 0.06 0.02 0.06 0.54 0.09 0.00 0.00 178.44 179.21 3g80 n ARG 75 N -3.13 0.20 0.00 1.13 1.74 -0.64 -3.01 116.66 112.95 3g80 n ARG 75 Ca 0.00 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 3g80 n ARG 75 Cb 0.30 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 3g80 n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g80 n GLY 76 N -0.02 0.64 1.51 -0.13 0.00 -1.26 -4.36 105.19 101.56 3g80 n GLY 76 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3g80 n GLY 76 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3g80 n GLU 77 N 0.74 0.00 0.00 1.61 0.00 -0.63 -5.07 120.64 117.29 3g80 n GLU 77 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3g80 n GLU 77 Cb 0.15 -2.78 0.00 0.00 0.00 0.00 0.00 31.44 28.81 3g80 n GLU 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52